cow trt pas barn pad parity wk kmy kfat pfat kpro ppro scc fcm 817 A -1 0 2 C 1 40.680 1.38135 0.03395 1.10695 0.02720 110.0 39.5370 3462 A -1 0 2 C 1 32.275 1.13910 0.03535 0.85445 0.02650 59.5 32.0743 3578 A -1 0 2 C 1 38.410 0.97510 0.02515 1.10755 0.02880 23.0 31.9317 3639 A -1 0 2 H 1 32.730 0.88655 0.02710 0.99100 0.03025 45.5 28.1212 3641 A -1 0 2 H 1 37.275 1.14305 0.03065 1.03855 0.02785 23.0 34.2138 882 A -1 0 3 C 1 39.090 1.24190 0.03180 1.13635 0.02910 11.0 36.5901 3362 A -1 0 3 C 1 49.775 1.37315 0.02735 1.29625 0.02605 91.0 43.1748 3567 A -1 0 3 C 1 35.680 1.09355 0.03050 1.17730 0.03300 15.0 32.7421 3645 A -1 0 3 H 1 31.360 1.01635 0.03240 0.95445 0.03045 51.5 29.6846 3646 A -1 0 3 H 1 30.225 0.81260 0.02685 0.96905 0.03210 142.0 25.8712 843 A -1 0 6 C 1 39.545 1.47675 0.03740 0.98820 0.02500 14.0 40.6304 3385 A -1 0 6 C 1 39.775 1.34085 0.03370 1.16715 0.02935 75.0 38.4955 3534 A -1 0 6 C 1 46.590 1.28115 0.02750 1.31975 0.02830 14.0 40.3459 3621 A -1 0 6 H 1 36.590 1.57505 0.04305 1.07860 0.02945 100.0 41.0160 3643 A -1 0 6 H 1 27.275 0.83465 0.03060 0.91920 0.03370 208.5 25.0062 735 B 0 1 7 C 1 38.410 0.96065 0.02520 0.81725 0.02140 507.0 31.6942 3400 B 0 1 7 C 1 45.000 1.33785 0.02975 1.20255 0.02670 971.5 40.6164 3415 B 0 1 7 C 1 36.360 1.20470 0.03315 1.04235 0.02865 91.5 34.8477 3552 B 0 1 7 C 1 43.410 1.06935 0.02465 1.12065 0.02580 13.0 35.5520 3564 B 0 1 7 C 1 34.090 1.04670 0.03070 0.98300 0.02885 26.5 31.3141 3573 B 0 1 7 C 1 39.775 1.03960 0.02595 1.18525 0.02985 23.5 33.5550 896 B 0 1 7 H 1 23.635 0.83185 0.03450 0.78900 0.03340 500.0 23.4517 3608 B 0 1 7 H 1 23.635 0.91710 0.03905 0.64510 0.02740 3777.0 24.8490 3615 B 0 1 7 H 1 30.230 1.02895 0.03400 0.92890 0.03075 38.0 29.4192 3617 B 0 1 7 H 1 34.775 1.26925 0.03650 1.01010 0.02905 18.0 35.2468 3631 B 0 1 7 H 1 33.410 1.06840 0.03150 0.69730 0.02055 23.5 31.3863 3635 B 0 1 7 H 1 31.365 0.83230 0.02650 0.86320 0.02755 21.0 26.6660 835 M 1 0 1 C 1 30.450 1.26730 0.04160 1.04570 0.03430 17.0 33.4223 3372 M 1 0 1 C 1 47.730 1.31970 0.02765 1.42525 0.02985 27.0 41.4493 3584 M 1 0 1 C 1 39.775 1.07545 0.02715 1.00370 0.02520 8.5 34.1432 3647 M 1 0 1 H 1 27.955 0.97415 0.03485 0.95885 0.03435 3010.5 27.5778 3642 M 1 0 1 H 1 24.770 0.93175 0.03750 0.75325 0.03045 24.5 25.5618 873 M 1 0 4 C 1 43.860 1.08655 0.02480 1.01180 0.02310 353.0 36.0232 3379 M 1 0 4 C 1 3.635 0.22365 0.05085 0.13315 0.03780 4482.5 5.1767 3479 M 1 0 4 C 1 35.455 1.27840 0.03605 0.98845 0.02785 132.0 35.6788 3634 M 1 0 4 H 1 32.045 1.10870 0.03460 0.93900 0.02930 37.0 31.4809 3637 M 1 0 4 H 1 32.725 1.09400 0.03345 1.02955 0.03145 77.0 31.5238 813 M 1 0 5 C 1 50.450 1.59465 0.03160 1.32200 0.02625 69.5 47.0907 3549 M 1 0 5 C 1 44.775 1.27570 0.02850 1.17390 0.02625 11.5 39.5019 3565 M 1 0 5 C 1 44.095 1.34855 0.03065 1.35735 0.03080 6.0 40.4143 3627 M 1 0 5 H 1 30.680 0.86905 0.02830 0.91340 0.02975 26.0 26.9849 3636 M 1 0 5 H 1 31.815 0.79910 0.02510 0.95325 0.02995 60.5 26.3100 817 A -1 0 2 C 2 40.225 1.44975 0.03605 1.10100 0.02735 116.5 40.4699 3462 A -1 0 2 C 2 37.045 1.12560 0.03040 0.93705 0.02530 59.0 33.8343 3578 A -1 0 2 C 2 37.045 1.04470 0.02820 1.02445 0.02760 27.5 32.5071 3639 A -1 0 2 H 2 30.000 0.76270 0.02540 0.87485 0.02920 75.5 24.9584 3641 A -1 0 2 H 2 35.000 0.90850 0.02595 0.98085 0.02805 22.5 29.4248 882 A -1 0 3 C 2 37.730 0.96650 0.02565 1.10160 0.02920 12.0 31.5074 3362 A -1 0 3 C 2 48.185 1.83320 0.03795 1.29915 0.02695 302.5 50.0600 3567 A -1 0 3 C 2 37.045 1.04215 0.02815 1.10065 0.02975 21.5 32.4649 3645 A -1 0 3 H 2 30.225 1.03730 0.03435 0.90195 0.02985 62.0 29.5560 3646 A -1 0 3 H 2 32.045 0.80955 0.02525 1.03440 0.03225 198.5 26.5758 843 A -1 0 6 C 2 41.820 1.40560 0.03365 1.13630 0.02715 12.0 40.4070 3385 A -1 0 6 C 2 37.045 1.26415 0.03415 1.14500 0.03095 81.0 36.1057 3534 A -1 0 6 C 2 44.770 1.09725 0.02465 1.24815 0.02785 52.5 36.5756 3621 A -1 0 6 H 2 37.500 1.46275 0.03910 1.15205 0.03070 34.0 39.5513 3643 A -1 0 6 H 2 27.500 1.03890 0.03755 0.88810 0.03230 337.0 28.4503 735 B 0 1 7 C 2 36.135 1.27755 0.03545 1.13670 0.03145 917.5 35.9484 3400 B 0 1 7 C 2 44.775 1.13100 0.02525 1.21205 0.02705 878.0 37.1291 3415 B 0 1 7 C 2 36.135 1.18575 0.03280 1.03430 0.02860 111.0 34.4429 3552 B 0 1 7 C 2 39.320 1.20435 0.03070 0.96675 0.02460 10.5 36.0683 3564 B 0 1 7 C 2 31.360 1.02735 0.03275 0.90460 0.02880 69.5 29.8643 3573 B 0 1 7 C 2 40.910 1.36425 0.03330 1.24790 0.03050 42.0 39.3510 896 B 0 1 7 H 2 26.590 1.03825 0.03915 0.84670 0.03195 2231.0 28.0622 3608 B 0 1 7 H 2 29.770 0.85175 0.02835 0.63255 0.02110 244.5 26.3244 3615 B 0 1 7 H 2 29.545 1.02615 0.03470 0.93545 0.03165 23.5 29.0900 3617 B 0 1 7 H 2 33.865 1.27120 0.03755 0.98060 0.02895 21.0 34.9008 3631 B 0 1 7 H 2 32.955 1.39865 0.04245 0.95230 0.02890 98.5 36.6145 3635 B 0 1 7 H 2 31.135 0.95550 0.03065 0.89890 0.02885 21.5 28.5918 835 M 1 0 1 C 2 31.135 1.18550 0.03820 1.05675 0.03390 19.0 32.3638 3372 M 1 0 1 C 2 41.590 1.41005 0.03390 1.24960 0.03005 71.5 40.3850 3584 M 1 0 1 C 2 43.180 1.20755 0.02800 1.19500 0.02770 10.0 37.7239 3647 M 1 0 1 H 2 28.410 1.14335 0.04025 0.95910 0.03375 902.5 30.5409 3642 M 1 0 1 H 2 25.685 1.02170 0.03975 0.79085 0.03075 18.5 27.4139 873 M 1 0 4 C 2 43.865 0.97000 0.02210 1.04375 0.02375 228.5 34.1114 3379 M 1 0 4 C 2 21.815 0.75365 0.03450 0.72710 0.03330 7705.5 21.4146 3479 M 1 0 4 C 2 38.640 1.08925 0.02715 1.10150 0.02850 289.5 33.8978 3634 M 1 0 4 H 2 36.815 1.22455 0.03325 1.16115 0.03155 33.5 35.3625 3637 M 1 0 4 H 2 35.000 1.18670 0.03390 1.12700 0.03220 57.0 33.9862 813 M 1 0 5 C 2 47.955 1.37485 0.02865 1.29850 0.02710 52.0 42.4489 3549 M 1 0 5 C 2 40.680 1.06710 0.02625 1.09565 0.02695 17.5 34.3833 3565 M 1 0 5 C 2 41.140 1.52175 0.03680 1.27700 0.03105 25.5 42.0280 3627 M 1 0 5 H 2 32.955 1.04045 0.03155 1.01170 0.03070 13.0 30.7396 3636 M 1 0 5 H 2 32.045 0.91160 0.02845 0.98660 0.03080 102.5 28.2497 817 A -1 0 2 C 3 37.955 1.40415 0.03700 0.99915 0.02635 235.0 38.7794 3462 A -1 0 2 C 3 34.545 0.88505 0.02565 0.88080 0.02550 56.5 28.8511 3578 A -1 0 2 C 3 36.365 1.06615 0.02935 1.02420 0.02815 30.5 32.5756 3639 A -1 0 2 H 3 27.725 0.73345 0.02650 0.77980 0.02815 65.0 23.5351 3641 A -1 0 2 H 3 34.545 1.18935 0.03450 0.90490 0.02620 57.5 33.8420 882 A -1 0 3 C 3 37.955 1.16790 0.03080 1.04210 0.02745 14.5 34.9049 3362 A -1 0 3 C 3 45.455 1.37245 0.02960 1.18485 0.02605 248.0 41.3719 3567 A -1 0 3 C 3 32.045 1.00375 0.03135 0.99985 0.03115 12.0 29.7604 3645 A -1 0 3 H 3 31.360 1.05245 0.03360 0.94155 0.03005 76.5 30.2762 3646 A -1 0 3 H 3 31.135 1.07430 0.03450 0.95865 0.03080 225.5 30.5401 843 A -1 0 6 C 3 38.180 1.26630 0.03270 0.96680 0.02530 15.0 36.6127 3385 A -1 0 6 C 3 37.275 1.13510 0.03045 1.13820 0.03055 44.5 34.0845 3534 A -1 0 6 C 3 45.225 1.29400 0.02865 1.21010 0.02675 16.0 39.9902 3621 A -1 0 6 H 3 36.590 1.27590 0.03485 1.12250 0.03065 26.0 36.1105 3643 A -1 0 6 H 3 24.545 0.87190 0.03550 0.78905 0.03215 296.5 24.4853 735 B 0 1 7 C 3 41.590 1.36415 0.03315 1.21275 0.02915 1836.5 39.6317 3400 B 0 1 7 C 3 40.455 1.32255 0.03245 1.05555 0.02610 733.5 38.4792 3415 B 0 1 7 C 3 28.180 1.00640 0.03570 0.80245 0.02845 78.0 28.2002 3552 B 0 1 7 C 3 43.865 1.04495 0.02380 1.12120 0.02560 26.0 35.3399 3564 B 0 1 7 C 3 29.090 0.97210 0.03365 0.84905 0.02920 13.5 28.0154 3573 B 0 1 7 C 3 36.365 1.37165 0.03890 1.06030 0.02935 42.5 37.5858 896 B 0 1 7 H 3 22.500 0.99325 0.04390 0.78620 0.03495 5067.0 25.6268 3608 B 0 1 7 H 3 31.135 1.21945 0.03915 0.88120 0.02830 245.0 32.9207 3615 B 0 1 7 H 3 31.135 1.06910 0.03435 0.99415 0.03190 16.0 30.4547 3617 B 0 1 7 H 3 33.410 1.21800 0.03645 0.99435 0.02980 13.5 33.8400 3631 B 0 1 7 H 3 32.275 1.31505 0.04075 0.91745 0.02845 36.5 34.9599 3635 B 0 1 7 H 3 29.320 0.88225 0.03020 0.86490 0.02950 143.5 26.6363 835 M 1 0 1 C 3 29.545 1.23505 0.04180 0.94810 0.03210 42.5 32.5161 3372 M 1 0 1 C 3 39.775 1.20375 0.03025 1.15830 0.02910 53.0 36.2469 3584 M 1 0 1 C 3 40.455 1.10100 0.02710 1.07955 0.02670 21.0 34.8450 3642 M 1 0 1 H 3 21.365 1.08255 0.04680 0.61835 0.02930 80.5 26.6200 873 M 1 0 4 C 3 39.775 0.99880 0.02510 0.94680 0.02380 515.5 32.8863 3379 M 1 0 4 C 3 27.955 0.91275 0.03265 0.90150 0.03225 3490.0 26.5699 3479 M 1 0 4 C 3 37.500 1.23995 0.03300 1.01795 0.02715 218.0 35.8974 3634 M 1 0 4 H 3 30.910 1.10840 0.03595 0.94595 0.03055 51.5 31.0052 3637 M 1 0 4 H 3 30.455 1.06830 0.03505 0.94295 0.03095 87.0 30.1591 813 M 1 0 5 C 3 44.545 1.34635 0.03025 1.16935 0.02625 98.0 40.5664 3549 M 1 0 5 C 3 39.770 1.37870 0.03470 0.97995 0.02465 40.0 39.1165 3565 M 1 0 5 C 3 42.955 1.86140 0.04295 1.20910 0.02820 40.0 48.3529 3627 M 1 0 5 H 3 32.730 0.96980 0.02960 0.94430 0.02885 20.5 29.4869 3636 M 1 0 5 H 3 30.000 0.92635 0.03090 0.89410 0.02980 95.5 27.6424 817 A -1 0 2 C 4 37.500 1.59195 0.04250 0.98080 0.02615 901.0 41.6706 3462 A -1 0 2 C 4 35.000 1.26430 0.03585 0.94700 0.02705 159.0 35.2602 3578 A -1 0 2 C 4 34.320 1.07990 0.03150 0.98940 0.02885 33.5 31.9526 3639 A -1 0 2 H 4 29.320 0.81645 0.02790 0.83015 0.02835 78.5 25.5565 3641 A -1 0 2 H 4 36.365 1.12965 0.03110 0.95315 0.02625 28.0 33.6170 882 A -1 0 3 C 4 36.365 1.04680 0.02895 0.99275 0.02730 16.0 32.2591 3362 A -1 0 3 C 4 48.865 1.81655 0.03690 1.29355 0.02645 260.0 50.0698 3567 A -1 0 3 C 4 34.315 1.17745 0.03420 1.05390 0.03070 8.5 33.5523 3645 A -1 0 3 H 4 28.865 0.92560 0.03210 0.84865 0.02940 70.0 27.1589 3646 A -1 0 3 H 4 30.905 1.01055 0.03270 0.94965 0.03070 115.0 29.4006 843 A -1 0 6 C 4 36.590 0.94125 0.02575 0.94070 0.02570 14.0 30.6214 3385 A -1 0 6 C 4 33.180 1.44835 0.04365 0.86845 0.02615 27.5 37.5233 3534 A -1 0 6 C 4 41.590 1.34830 0.03240 1.11965 0.02695 26.5 39.3723 3621 A -1 0 6 H 4 38.185 1.57490 0.04125 1.10345 0.02890 20.0 41.6736 3643 A -1 0 6 H 4 22.045 0.86200 0.03910 0.66425 0.03015 225.5 23.2857 735 B 0 1 7 C 4 32.730 1.13915 0.03480 0.96210 0.02940 1070.5 32.2633 3400 B 0 1 7 C 4 37.955 1.17665 0.03090 1.00865 0.02655 1032.0 35.0484 3415 B 0 1 7 C 4 30.225 1.09860 0.03630 0.83905 0.02775 117.5 30.5616 3552 B 0 1 7 C 4 39.315 1.14900 0.02915 1.01385 0.02580 13.5 35.1607 3564 B 0 1 7 C 4 27.955 1.02555 0.03670 0.80895 0.02895 114.0 28.4201 3573 B 0 1 7 C 4 33.410 1.23175 0.03670 1.01415 0.03040 23.5 34.0659 896 B 0 1 7 H 4 22.730 0.96840 0.04260 0.74355 0.03270 794.0 25.3134 3608 B 0 1 7 H 4 28.180 1.11240 0.03950 0.77020 0.02735 879.5 29.9386 3615 B 0 1 7 H 4 27.045 0.95920 0.03545 0.84480 0.03120 19.5 26.9549 3617 B 0 1 7 H 4 31.135 1.20740 0.03875 0.88095 0.02830 16.0 32.7231 3631 B 0 1 7 H 4 30.230 1.30335 0.04315 0.86115 0.02850 30.5 33.9195 3635 B 0 1 7 H 4 30.000 1.00700 0.03355 0.87000 0.02900 59.0 28.9648 835 M 1 0 1 C 4 28.865 1.29020 0.04465 0.94125 0.03260 33.5 33.1382 3372 M 1 0 1 C 4 40.680 1.43970 0.03540 1.20960 0.02975 64.5 40.4938 3584 M 1 0 1 C 4 39.090 1.10055 0.02815 1.07365 0.02745 19.0 34.2717 3642 M 1 0 1 H 4 25.450 1.00810 0.03960 0.78185 0.03070 47.0 27.0963 3647 M 1 0 1 H 4 31.590 1.30775 0.04140 0.87145 0.02760 55.0 34.5574 873 M 1 0 4 C 4 42.045 1.01730 0.02420 0.95700 0.02275 601.0 34.1325 3379 M 1 0 4 C 4 27.955 0.95315 0.03415 0.84755 0.03030 1861.5 27.2330 3479 M 1 0 4 C 4 32.500 0.97505 0.02995 0.87390 0.02685 503.5 29.4779 3634 M 1 0 4 H 4 33.185 1.11150 0.03350 1.02225 0.03080 63.5 31.9987 3637 M 1 0 4 H 4 31.590 1.13615 0.03595 0.93260 0.02950 159.0 31.7429 813 M 1 0 5 C 4 41.820 1.37530 0.03285 1.09200 0.02610 63.0 39.9098 3549 M 1 0 5 C 4 37.500 1.07945 0.02865 0.96845 0.02580 13.0 33.2656 3565 M 1 0 5 C 4 39.545 1.62770 0.04115 1.16750 0.02955 11.0 43.1057 3627 M 1 0 5 H 4 29.775 0.95010 0.03195 0.86395 0.02900 13.0 27.9376 3636 M 1 0 5 H 4 28.865 0.94190 0.03265 0.87110 0.03020 96.0 27.4254 817 A -1 0 2 C 5 34.315 1.31020 0.03820 0.90525 0.02635 1839.0 35.7291 3462 A -1 0 2 C 5 37.500 1.03240 0.02750 1.01505 0.02710 286.0 32.4940 3578 A -1 0 2 C 5 32.500 0.95265 0.02930 0.91800 0.02825 25.5 29.1108 3639 A -1 0 2 H 5 28.865 0.72890 0.02530 0.86165 0.02985 61.0 23.9326 3641 A -1 0 2 H 5 31.820 1.00525 0.03160 0.91870 0.02890 26.0 29.6907 882 A -1 0 3 C 5 34.090 1.00795 0.02965 0.98865 0.02900 17.5 30.6778 3362 A -1 0 3 C 5 44.090 1.32380 0.03000 1.19430 0.02710 174.5 40.0080 3567 A -1 0 3 C 5 35.230 1.31875 0.03655 1.09065 0.03110 17.0 36.2468 3645 A -1 0 3 H 5 29.320 0.95280 0.03250 0.92035 0.03135 94.5 27.7933 3646 A -1 0 3 H 5 28.865 0.92105 0.03195 0.92875 0.03220 149.5 27.0836 843 A -1 0 6 C 5 35.910 1.11755 0.03105 0.95160 0.02650 18.0 33.2297 3385 A -1 0 6 C 5 32.955 1.08550 0.03300 1.00445 0.03050 28.0 31.4783 3534 A -1 0 6 C 5 41.365 1.09370 0.02645 1.15440 0.02795 20.5 35.1027 3621 A -1 0 6 H 5 35.455 1.45915 0.04110 1.10315 0.03110 20.0 38.6442 3643 A -1 0 6 H 5 22.045 0.78760 0.03575 0.69295 0.03145 237.0 22.0654 735 B 0 1 7 C 5 34.770 1.20435 0.03460 1.09420 0.03150 1170.0 34.1823 3400 B 0 1 7 C 5 39.090 1.16670 0.02980 1.06145 0.02715 642.5 35.3563 3415 B 0 1 7 C 5 32.275 1.07055 0.03320 0.97255 0.03010 108.5 30.9505 3552 B 0 1 7 C 5 39.770 1.05710 0.02660 1.11385 0.02800 15.0 33.8416 3564 B 0 1 7 C 5 25.685 0.92965 0.03620 0.73285 0.02855 10.0 25.9048 3573 B 0 1 7 C 5 33.635 1.15655 0.03470 1.01340 0.03015 39.0 32.9261 896 B 0 1 7 H 5 20.000 0.89170 0.04465 0.67660 0.03385 984.5 22.9232 3608 B 0 1 7 H 5 28.180 1.02490 0.03635 0.84060 0.02985 259.0 28.5036 3615 B 0 1 7 H 5 24.775 0.91590 0.03695 0.78685 0.03175 18.0 25.3013 3617 B 0 1 7 H 5 30.230 1.10105 0.03645 0.92425 0.03060 22.0 30.6019 3631 B 0 1 7 H 5 29.775 1.17715 0.03950 0.86615 0.02905 25.0 31.6611 3635 B 0 1 7 H 5 28.640 0.91435 0.03205 0.86900 0.03035 21.5 26.8800 835 M 1 0 1 C 5 24.545 1.05705 0.04305 0.78365 0.03190 39.5 27.5216 3372 M 1 0 1 C 5 38.180 1.24160 0.03255 1.17650 0.03085 50.0 36.2076 3584 M 1 0 1 C 5 40.000 1.15725 0.02895 1.10890 0.02770 36.5 35.5793 3642 M 1 0 1 H 5 24.545 1.00085 0.04070 0.73940 0.03020 21.5 26.6006 3647 M 1 0 1 H 5 33.635 1.16025 0.03450 0.88910 0.02640 61.5 32.9869 873 M 1 0 4 C 5 38.865 1.07450 0.02760 0.92630 0.02385 261.0 33.7502 3379 M 1 0 4 C 5 27.275 0.85825 0.03135 0.80290 0.02945 1554.5 25.3928 3479 M 1 0 4 C 5 35.685 1.03765 0.02955 0.99220 0.02780 352.0 31.8260 3634 M 1 0 4 H 5 31.820 1.06695 0.03355 0.96855 0.03050 35.5 30.7026 3637 M 1 0 4 H 5 28.180 0.95985 0.03405 0.87700 0.03115 108.5 27.4372 813 M 1 0 5 C 5 42.725 1.57510 0.03700 1.19190 0.02790 55.0 43.5637 3549 M 1 0 5 C 5 35.905 0.97575 0.02715 0.94910 0.02645 12.5 30.9046 3565 M 1 0 5 C 5 38.410 1.44980 0.03775 1.12160 0.02920 11.0 39.7168 3627 M 1 0 5 H 5 30.000 0.98160 0.03280 0.90305 0.03015 30.5 28.5481 3636 M 1 0 5 H 5 29.320 0.89335 0.03045 0.88985 0.03035 63.5 26.8179 817 A -1 0 2 C 6 39.095 1.37105 0.03505 1.04990 0.02685 857.5 38.7086 3462 A -1 0 2 C 6 37.955 0.87810 0.02315 1.03065 0.02715 321.0 30.1526 3578 A -1 0 2 C 6 29.775 0.86095 0.02890 0.82565 0.02770 29.5 26.4754 3639 A -1 0 2 H 6 27.730 0.73620 0.02660 0.78150 0.02815 74.5 23.5810 3641 A -1 0 2 H 6 32.955 1.08310 0.03285 0.88685 0.02690 28.5 31.4392 882 A -1 0 3 C 6 34.550 1.05935 0.03070 0.96945 0.02810 12.5 31.7096 3362 A -1 0 3 C 6 45.225 1.38520 0.03060 1.21745 0.02690 211.0 41.4863 3567 A -1 0 3 C 6 32.730 1.02800 0.03135 1.00075 0.03060 13.5 30.4406 3645 A -1 0 3 H 6 28.185 0.92725 0.03285 0.84920 0.03010 67.5 26.9028 3646 A -1 0 3 H 6 28.865 0.94725 0.03280 0.90190 0.03125 157.0 27.5130 843 A -1 0 6 C 6 36.360 1.22940 0.03385 0.96435 0.02655 15.5 35.2529 3385 A -1 0 6 C 6 34.320 1.18270 0.03445 1.04520 0.03045 25.0 33.6388 3534 A -1 0 6 C 6 40.910 1.10220 0.02685 1.08530 0.02655 17.5 35.0531 3621 A -1 0 6 H 6 36.590 1.26405 0.03460 1.14405 0.03125 50.5 35.9163 3643 A -1 0 6 H 6 22.725 0.84315 0.03710 0.70875 0.03120 533.0 23.2593 735 B 0 1 7 C 6 35.680 1.24450 0.03475 1.08020 0.03030 872.5 35.2178 3400 B 0 1 7 C 6 36.595 1.12560 0.03070 0.94345 0.02575 990.5 33.6450 3415 B 0 1 7 C 6 32.045 1.18590 0.03695 0.93885 0.02930 92.5 32.7474 3552 B 0 1 7 C 6 41.365 1.15530 0.02790 1.09580 0.02650 20.5 36.1124 3564 B 0 1 7 C 6 25.905 1.04750 0.04055 0.72760 0.02810 16.5 27.9313 3573 B 0 1 7 C 6 33.410 1.25910 0.03770 0.99700 0.02985 51.0 34.5139 896 B 0 1 7 H 6 23.865 1.01625 0.04255 0.80345 0.03365 546.0 26.5703 3608 B 0 1 7 H 6 29.545 1.07700 0.03645 0.82610 0.02795 378.0 29.9242 3615 B 0 1 7 H 6 26.360 0.98470 0.03735 0.80365 0.03045 19.0 27.0897 3617 B 0 1 7 H 6 31.815 1.18605 0.03725 0.94850 0.02980 18.5 32.6557 3631 B 0 1 7 H 6 27.050 1.11800 0.04125 0.75120 0.02775 27.0 29.5591 3635 B 0 1 7 H 6 29.545 0.96335 0.03255 0.88185 0.02985 26.0 28.0605 835 M 1 0 1 C 6 27.045 1.04930 0.03880 0.85565 0.03165 24.5 28.4320 3372 M 1 0 1 C 6 38.180 1.17740 0.03085 1.18945 0.03115 63.5 35.1543 3584 M 1 0 1 C 6 39.320 1.07190 0.02730 1.07340 0.02730 22.5 33.8964 3642 M 1 0 1 H 6 24.770 0.90365 0.03640 0.74515 0.03005 27.5 25.1003 3647 M 1 0 1 H 6 39.315 1.33450 0.03380 1.05965 0.02700 42.0 38.2025 873 M 1 0 4 C 6 44.545 1.09230 0.02450 1.06650 0.02395 381.5 36.4001 3379 M 1 0 4 C 6 27.730 0.86365 0.03115 0.80715 0.02910 1396.0 25.6712 3479 M 1 0 4 C 6 38.185 1.16905 0.03065 1.07400 0.02810 345.0 35.0178 3634 M 1 0 4 H 6 33.185 1.04425 0.03145 0.99575 0.03000 109.5 30.8962 3637 M 1 0 4 H 6 28.410 0.98260 0.03460 0.85325 0.03005 136.0 27.9047 813 M 1 0 5 C 6 43.635 1.32740 0.03040 1.17030 0.02685 65.5 39.8782 3549 M 1 0 5 C 6 39.545 1.18020 0.02980 1.04340 0.02640 17.0 35.7667 3565 M 1 0 5 C 6 41.820 1.72880 0.04130 1.20670 0.02885 19.5 45.7072 3627 M 1 0 5 H 6 31.360 0.94460 0.03015 0.91960 0.02935 15.5 28.5076 3636 M 1 0 5 H 6 31.365 0.92100 0.02935 0.96820 0.03090 69.0 28.1204 817 A -1 0 2 C 7 37.500 1.34660 0.03585 1.10560 0.02950 1235.0 37.6470 3462 A -1 0 2 C 7 34.095 0.87660 0.02565 0.93955 0.02755 331.5 28.5238 3578 A -1 0 2 C 7 34.545 0.81135 0.02365 1.05995 0.03065 35.5 27.6424 3639 A -1 0 2 H 7 26.815 0.70040 0.02615 0.81430 0.03035 136.5 22.6163 3641 A -1 0 2 H 7 32.725 1.02720 0.03150 0.94355 0.02880 48.0 30.4280 882 A -1 0 3 C 7 24.315 0.90030 0.03675 0.76265 0.03135 3936.5 24.8573 3362 A -1 0 3 C 7 43.180 1.39540 0.03110 1.20705 0.02805 235.5 40.8052 3567 A -1 0 3 C 7 33.635 0.83035 0.02470 1.11840 0.03325 17.0 27.5771 3645 A -1 0 3 H 7 27.725 0.84220 0.03035 0.89275 0.03220 72.0 25.3194 3646 A -1 0 3 H 7 28.865 0.88145 0.03055 0.94380 0.03270 143.5 26.4343 843 A -1 0 6 C 7 36.135 1.18555 0.03225 0.95870 0.02655 10.0 34.4396 3385 A -1 0 6 C 7 33.865 1.11670 0.03300 1.05030 0.03105 19.0 32.3670 3534 A -1 0 6 C 7 40.225 1.13750 0.02820 1.15205 0.02860 32.0 35.3490 3621 A -1 0 6 H 7 33.410 1.19555 0.03575 1.12285 0.03360 20.0 33.4717 3643 A -1 0 6 H 7 24.090 0.81890 0.03400 0.79170 0.03290 237.0 23.4279 735 B 0 1 7 C 7 35.455 1.14205 0.03215 1.08555 0.03060 1881.0 33.4440 3400 B 0 1 7 C 7 36.590 1.10830 0.03030 0.98690 0.02700 371.0 33.3613 3415 B 0 1 7 C 7 31.135 1.12300 0.03605 0.97055 0.03120 124.0 31.3388 3552 B 0 1 7 C 7 39.320 1.14125 0.02900 1.11860 0.02845 31.0 35.0340 3564 B 0 1 7 C 7 10.000 0.38810 0.03760 0.29350 0.02980 252.5 10.5151 3573 B 0 1 7 C 7 32.955 1.18680 0.03630 1.00550 0.03055 36.5 33.1396 896 B 0 1 7 H 7 27.730 1.11225 0.04070 0.95315 0.03440 2176.5 29.7481 3608 B 0 1 7 H 7 27.275 0.94655 0.03455 0.79020 0.02895 1146.0 26.8419 3615 B 0 1 7 H 7 25.000 0.92720 0.03715 0.78950 0.03160 25.5 25.5816 3617 B 0 1 7 H 7 27.270 1.05225 0.03905 0.82360 0.03035 27.5 28.5755 3631 B 0 1 7 H 7 30.905 1.19775 0.03875 0.90375 0.02925 43.5 32.4704 3635 B 0 1 7 H 7 28.180 0.83635 0.02970 0.89120 0.03165 24.5 25.4115 835 M 1 0 1 C 7 29.090 1.19670 0.04120 0.92335 0.03175 37.5 31.6991 3372 M 1 0 1 C 7 34.320 1.10700 0.03225 1.08550 0.03160 57.0 32.3969 3584 M 1 0 1 C 7 38.865 1.11425 0.02870 1.08100 0.02780 33.0 34.4018 3642 M 1 0 1 H 7 25.685 0.89725 0.03485 0.78775 0.03065 44.5 25.3725 3647 M 1 0 1 H 7 32.275 0.93660 0.02895 0.90235 0.02795 51.5 28.7533 873 M 1 0 4 C 7 37.725 0.99575 0.02640 0.95180 0.02525 278.5 31.9868 3379 M 1 0 4 C 7 29.545 0.97460 0.03320 0.84950 0.02880 696.5 28.2451 3479 M 1 0 4 C 7 34.320 1.09960 0.03200 0.99490 0.02900 942.5 32.2754 3634 M 1 0 4 H 7 32.045 0.94460 0.02950 1.01385 0.03165 55.0 28.7902 3637 M 1 0 4 H 7 27.500 0.92400 0.03355 0.83610 0.03040 152.5 26.5669 813 M 1 0 5 C 7 43.180 1.37820 0.03190 1.19180 0.02760 93.0 40.5234 3549 M 1 0 5 C 7 36.140 1.02525 0.02825 0.97850 0.02705 21.0 31.8107 3565 M 1 0 5 C 7 37.050 1.36095 0.03650 1.12695 0.03040 22.0 37.6936 3627 M 1 0 5 H 7 32.045 0.93840 0.02945 0.96830 0.03025 14.0 28.6884 3636 M 1 0 5 H 7 28.640 0.76935 0.02685 0.90220 0.03155 83.5 24.5013 817 A -1 0 2 C 8 30.230 0.87065 0.02900 0.83425 0.02760 1485.0 26.8232 3462 A -1 0 2 C 8 34.320 0.88325 0.02570 0.94815 0.02765 379.0 28.7274 3578 A -1 0 2 C 8 32.725 0.87925 0.02685 0.99850 0.03050 31.5 28.0019 3639 A -1 0 2 H 8 29.095 0.72710 0.02500 0.85530 0.02940 78.5 23.9974 3641 A -1 0 2 H 8 31.590 1.01645 0.03220 0.87355 0.02765 24.5 29.7797 882 A -1 0 3 C 8 31.590 1.03275 0.03265 0.98165 0.03105 104.5 30.0473 3362 A -1 0 3 C 8 42.955 1.18145 0.02725 1.19485 0.02780 243.0 37.2016 3567 A -1 0 3 C 8 31.590 0.97810 0.03100 0.98275 0.03115 13.0 29.1513 3645 A -1 0 3 H 8 27.955 0.81480 0.02920 0.86070 0.03080 97.5 24.9634 3646 A -1 0 3 H 8 28.635 0.81950 0.02865 0.91025 0.03180 153.0 25.3239 843 A -1 0 6 C 8 32.045 0.86660 0.02685 0.85660 0.02675 30.0 27.5114 3385 A -1 0 6 C 8 31.590 0.95990 0.03030 0.97550 0.03090 22.5 28.8524 3534 A -1 0 6 C 8 35.225 0.77545 0.02200 0.98855 0.02810 49.5 27.3364 3621 A -1 0 6 H 8 27.500 1.01695 0.03700 0.94055 0.03420 19.5 28.0910 3643 A -1 0 6 H 8 23.640 0.79885 0.03375 0.77870 0.03290 248.0 22.9097 735 B 0 1 7 C 8 30.905 1.01255 0.03275 0.95605 0.03095 2636.5 29.4327 3400 B 0 1 7 C 8 35.000 1.04795 0.02995 0.96050 0.02745 545.5 31.7115 3415 B 0 1 7 C 8 29.320 1.05375 0.03595 0.89660 0.03060 142.0 29.4486 3552 B 0 1 7 C 8 38.410 1.16695 0.03035 1.05950 0.02760 18.0 35.0779 3564 B 0 1 7 C 8 22.725 0.80035 0.03520 0.66785 0.02940 16.0 22.5582 3573 B 0 1 7 C 8 31.820 1.19465 0.03750 0.98985 0.03110 61.0 32.7974 896 B 0 1 7 H 8 20.680 0.87865 0.04250 0.77020 0.03725 2347.0 22.9934 3608 B 0 1 7 H 8 27.725 0.92775 0.03345 0.79985 0.02885 339.5 26.7219 3615 B 0 1 7 H 8 25.910 0.94450 0.03650 0.83855 0.03235 19.5 26.2421 3617 B 0 1 7 H 8 28.180 0.97530 0.03460 0.85405 0.03030 59.0 27.6899 3631 B 0 1 7 H 8 28.410 1.04160 0.03665 0.80985 0.02850 48.0 28.8719 3635 B 0 1 7 H 8 27.500 0.81080 0.02945 0.87530 0.03180 19.0 24.7096 835 M 1 0 1 C 8 27.500 1.03795 0.03775 0.89155 0.03240 38.0 28.4346 3372 M 1 0 1 C 8 36.135 1.10085 0.03045 1.11250 0.03075 55.5 33.0500 3584 M 1 0 1 C 8 37.270 0.97240 0.02605 1.06905 0.02875 26.5 31.4157 3642 M 1 0 1 H 8 24.320 0.91045 0.03745 0.74445 0.03060 16.5 25.0232 3647 M 1 0 1 H 8 33.865 0.99440 0.02940 0.91545 0.02705 62.0 30.3614 873 M 1 0 4 C 8 41.135 1.05235 0.02560 1.02020 0.02485 194.0 34.3304 3379 M 1 0 4 C 8 27.955 0.89340 0.03200 0.80655 0.02880 414.0 26.2531 3479 M 1 0 4 C 8 30.000 0.87640 0.02845 0.83350 0.02775 1508.5 26.8224 3634 M 1 0 4 H 8 31.820 0.96205 0.03025 0.99585 0.03125 60.5 28.9825 3637 M 1 0 4 H 8 28.865 1.03445 0.03570 0.88475 0.03065 135.5 28.9435 813 M 1 0 5 C 8 37.955 1.08285 0.02840 1.04620 0.02755 86.0 33.5101 3549 M 1 0 5 C 8 35.680 1.03080 0.02875 0.94570 0.02650 19.5 31.7130 3565 M 1 0 5 C 8 35.680 1.45890 0.04090 1.04225 0.02925 65.0 38.7334 3627 M 1 0 5 H 8 30.905 0.89150 0.02885 0.94470 0.03055 20.0 27.4479 3636 M 1 0 5 H 8 29.545 0.72500 0.02460 0.92375 0.03120 67.0 24.1518 817 A -1 0 2 C 9 32.045 1.17590 0.03670 0.88440 0.02760 1906.0 32.5834 3462 A -1 0 2 C 9 34.090 0.98785 0.02895 0.95660 0.02805 459.5 30.3483 3578 A -1 0 2 C 9 30.680 0.91520 0.02985 0.93250 0.03040 42.5 27.7424 3639 A -1 0 2 H 9 27.275 0.68935 0.02525 0.81455 0.02985 96.0 22.6234 3641 A -1 0 2 H 9 32.955 1.00960 0.03065 0.94845 0.02875 26.5 30.2334 882 A -1 0 3 C 9 29.775 1.02710 0.03450 0.92025 0.03095 27.5 29.2004 3362 A -1 0 3 C 9 37.045 1.22450 0.03305 1.05535 0.02845 260.5 35.4561 3567 A -1 0 3 C 9 28.865 0.84530 0.02925 0.96105 0.03335 13.5 25.8413 3645 A -1 0 3 H 9 27.500 0.77385 0.02820 0.87880 0.03195 74.0 24.1039 3646 A -1 0 3 H 9 27.500 0.79920 0.02915 0.88785 0.03230 110.0 24.5191 843 A -1 0 6 C 9 30.910 1.00850 0.03250 0.84015 0.02715 21.5 29.3663 3385 A -1 0 6 C 9 31.815 1.02400 0.03215 0.96910 0.03045 23.0 29.9982 3534 A -1 0 6 C 9 35.000 0.92440 0.02630 0.98660 0.02820 25.5 29.6853 3621 A -1 0 6 H 9 30.455 1.21000 0.03980 1.06960 0.03510 22.5 32.4823 3643 A -1 0 6 H 9 20.910 0.76820 0.03670 0.69140 0.03310 293.0 21.2755 735 B 0 1 7 C 9 31.590 1.06260 0.03365 0.99955 0.03165 1528.5 30.5375 3400 B 0 1 7 C 9 31.815 0.93345 0.02930 0.87755 0.02755 320.0 28.5136 3415 B 0 1 7 C 9 28.865 1.03880 0.03605 0.91555 0.03175 132.5 29.0147 3552 B 0 1 7 C 9 37.730 1.03060 0.02755 1.06770 0.02830 21.0 32.5586 3564 B 0 1 7 C 9 23.180 0.85935 0.03695 0.68615 0.02960 18.5 23.7137 3573 B 0 1 7 C 9 30.000 1.07865 0.03605 0.88415 0.02945 42.5 30.1397 896 B 0 1 7 H 9 20.685 0.83215 0.04030 0.76010 0.03675 2152.5 22.2300 3608 B 0 1 7 H 9 27.955 0.96485 0.03455 0.79910 0.02855 478.0 27.4246 3615 B 0 1 7 H 9 24.770 0.86755 0.03490 0.81170 0.03280 18.5 24.5085 3617 B 0 1 7 H 9 27.500 0.92930 0.03380 0.85110 0.03090 128.5 26.6533 3631 B 0 1 7 H 9 29.090 1.13850 0.03915 0.86130 0.02960 29.0 30.7442 3635 B 0 1 7 H 9 26.590 0.80010 0.03010 0.84730 0.03185 41.0 24.1568 835 M 1 0 1 C 9 28.185 1.12580 0.04000 0.95325 0.03385 38.0 30.1593 3372 M 1 0 1 C 9 32.725 1.05210 0.03195 1.01055 0.03085 107.5 30.8361 3584 M 1 0 1 C 9 34.775 0.83985 0.02425 1.02670 0.02955 28.0 28.2045 3642 M 1 0 1 H 9 26.135 0.98030 0.03710 0.80405 0.03080 22.0 26.9234 3647 M 1 0 1 H 9 32.500 0.96210 0.02965 0.88280 0.02720 58.5 29.2654 873 M 1 0 4 C 9 40.455 0.93965 0.02325 0.99700 0.02465 407.5 32.1991 3379 M 1 0 4 C 9 28.405 0.83460 0.02925 0.81940 0.02885 249.5 25.4779 3479 M 1 0 4 C 9 33.635 1.05610 0.03115 0.97180 0.02890 268.0 31.2786 3634 M 1 0 4 H 9 32.500 0.92665 0.02855 1.02425 0.03150 44.0 28.6843 3637 M 1 0 4 H 9 27.955 0.91430 0.03265 0.89045 0.03190 116.0 26.5956 813 M 1 0 5 C 9 32.955 1.16905 0.03580 0.83780 0.02530 119.5 32.8485 3549 M 1 0 5 C 9 33.640 1.07715 0.03205 0.93220 0.02770 42.5 31.6241 3565 M 1 0 5 C 9 28.180 1.13670 0.04060 0.82485 0.02910 32.5 30.3371 3627 M 1 0 5 H 9 29.090 0.80135 0.02745 0.88125 0.03030 13.0 25.2144 3636 M 1 0 5 H 9 28.865 0.66270 0.02305 0.93370 0.03235 88.5 22.8460 817 A -1 0 2 C 10 34.090 1.30475 0.03820 0.96705 0.02840 1346.0 35.5453 3462 A -1 0 2 C 10 32.725 0.61175 0.01875 0.95095 0.02905 628.5 23.6149 3578 A -1 0 2 C 10 31.365 0.93115 0.02970 0.93645 0.02985 31.0 28.2866 3639 A -1 0 2 H 10 28.635 0.71200 0.02485 0.86735 0.03030 70.0 23.5609 3641 A -1 0 2 H 10 32.500 0.97385 0.02970 0.96205 0.02965 30.5 29.4589 882 A -1 0 3 C 10 27.955 0.90340 0.03210 0.84115 0.03005 16.0 26.4171 3362 A -1 0 3 C 10 39.545 1.06870 0.02695 1.10880 0.02805 241.0 33.9378 3567 A -1 0 3 C 10 31.815 1.05985 0.03330 1.03290 0.03245 12.0 30.5863 3645 A -1 0 3 H 10 27.955 0.88225 0.03155 0.88840 0.03175 82.0 26.0701 3646 A -1 0 3 H 10 29.775 0.89025 0.03000 0.98115 0.03295 121.5 26.9558 843 A -1 0 6 C 10 32.270 0.94875 0.02940 0.86390 0.02680 13.5 28.9527 3385 A -1 0 6 C 10 32.730 1.09375 0.03340 0.99930 0.03055 35.0 31.5193 3534 A -1 0 6 C 10 41.140 1.19215 0.02895 1.14350 0.02780 32.0 36.6227 3621 A -1 0 6 H 10 30.455 0.95765 0.03140 1.03905 0.03410 17.0 28.3439 3643 A -1 0 6 H 10 22.730 0.79215 0.03490 0.74810 0.03290 213.5 22.4229 735 B 0 1 7 C 10 29.320 1.02265 0.03485 0.96045 0.03275 1628.5 28.9383 3400 B 0 1 7 C 10 34.320 1.04050 0.03035 0.94600 0.02755 430.0 31.3063 3415 B 0 1 7 C 10 32.955 1.16525 0.03535 1.03055 0.03130 78.5 32.7863 3552 B 0 1 7 C 10 39.775 1.14670 0.02860 1.12180 0.02825 28.0 35.3113 3564 B 0 1 7 C 10 26.360 0.90850 0.03450 0.78000 0.02960 13.0 25.8407 3573 B 0 1 7 C 10 32.955 1.22505 0.03720 1.02040 0.03095 39.0 33.7669 896 B 0 1 7 H 10 20.455 0.86580 0.04235 0.74625 0.03645 1596.0 22.6881 3608 B 0 1 7 H 10 29.090 1.03810 0.03565 0.85645 0.02940 1106.5 29.0978 3615 B 0 1 7 H 10 25.680 0.97820 0.03815 0.82730 0.03225 41.5 26.7005 3617 B 0 1 7 H 10 27.045 0.96690 0.03580 0.83105 0.03075 25.0 27.0816 3631 B 0 1 7 H 10 27.275 1.06915 0.03915 0.79335 0.02905 23.0 28.8521 3635 B 0 1 7 H 10 28.865 0.87335 0.03025 0.90005 0.03115 23.0 26.3016 835 M 1 0 1 C 10 26.135 1.02055 0.03900 0.87705 0.03355 39.0 27.5836 3372 M 1 0 1 C 10 35.230 1.21530 0.03450 1.08390 0.03075 90.0 34.5502 3584 M 1 0 1 C 10 28.410 0.91600 0.03230 0.83445 0.02935 2260.5 26.8118 3642 M 1 0 1 H 10 31.135 0.96395 0.03185 0.99885 0.03210 18.0 28.7305 3647 M 1 0 1 H 10 32.275 0.98705 0.03050 0.87340 0.02710 78.0 29.5811 873 M 1 0 4 C 10 41.135 0.89395 0.02170 1.01925 0.02480 132.5 31.7325 3379 M 1 0 4 C 10 29.095 0.80525 0.02770 0.80185 0.02755 134.5 25.2789 3479 M 1 0 4 C 10 32.955 0.93305 0.02835 0.90160 0.02740 2396.0 28.9781 3634 M 1 0 4 H 10 32.275 0.98805 0.03065 0.99615 0.03085 60.5 29.5975 3637 M 1 0 4 H 10 28.640 0.85350 0.02990 0.65190 0.02255 120.5 25.8815 813 M 1 0 5 C 10 37.270 1.10380 0.02970 1.02690 0.02755 160.5 33.5708 3549 M 1 0 5 C 10 35.685 0.99730 0.02790 0.94420 0.02650 39.5 31.1636 3565 M 1 0 5 C 10 34.090 1.22840 0.03605 1.04155 0.03055 21.5 34.2932 3627 M 1 0 5 H 10 31.365 0.94000 0.02985 0.93800 0.02995 15.0 28.4320 3636 M 1 0 5 H 10 27.270 0.75495 0.02745 0.85090 0.03120 62.5 23.6998 817 A -1 0 2 C 11 35.000 1.29200 0.03695 1.03475 0.02955 1381.5 35.7142 3462 A -1 0 2 C 11 33.865 0.91245 0.02695 1.00695 0.02975 876.0 29.0169 3578 A -1 0 2 C 11 30.455 0.92095 0.03010 0.94740 0.03110 42.5 27.7427 3639 A -1 0 2 H 11 27.500 1.07960 0.03935 0.85645 0.03115 114.5 29.1182 3641 A -1 0 2 H 11 29.095 0.97090 0.03335 0.83960 0.02885 23.5 27.9957 882 A -1 0 3 C 11 31.360 1.13805 0.03630 0.93700 0.02990 18.0 31.6799 3362 A -1 0 3 C 11 37.500 1.18345 0.03155 1.07010 0.02855 247.5 34.9712 3567 A -1 0 3 C 11 28.410 1.00180 0.03530 0.91260 0.03210 16.5 28.2196 3645 A -1 0 3 H 11 25.680 0.82240 0.03205 0.82405 0.03210 103.5 24.1455 3646 A -1 0 3 H 11 28.410 0.91540 0.03220 0.91550 0.03225 178.0 26.8025 843 A -1 0 6 C 11 28.410 1.02175 0.03600 0.76480 0.02690 16.0 28.5472 3385 A -1 0 6 C 11 30.680 0.99705 0.03245 0.96200 0.03135 28.5 29.0845 3534 A -1 0 6 C 11 38.410 1.19200 0.03105 1.11985 0.02915 33.5 35.4886 3621 A -1 0 6 H 11 30.225 1.21575 0.04025 1.02380 0.03390 27.0 32.4830 3643 A -1 0 6 H 11 22.725 0.88315 0.03885 0.76155 0.03350 313.5 23.9153 735 B 0 1 7 C 11 29.320 1.03800 0.03540 0.92875 0.03170 4342.0 29.1903 3400 B 0 1 7 C 11 30.910 0.98670 0.03205 0.84885 0.02745 1441.5 29.0092 3415 B 0 1 7 C 11 27.045 1.04505 0.03870 0.84220 0.03115 158.5 28.3630 3552 B 0 1 7 C 11 34.770 1.10310 0.03170 0.96200 0.02770 14.5 32.5218 3564 B 0 1 7 C 11 24.545 0.85700 0.03490 0.74380 0.03035 18.5 24.2416 3573 B 0 1 7 C 11 30.225 1.33180 0.04395 0.95250 0.03150 69.0 34.3862 896 B 0 1 7 H 11 20.000 0.85880 0.04290 0.75545 0.03780 2242.5 22.3846 3608 B 0 1 7 H 11 24.090 0.87165 0.03620 0.71670 0.02975 451.5 24.2926 3615 B 0 1 7 H 11 25.450 1.03925 0.04080 0.83915 0.03295 18.5 27.6074 3617 B 0 1 7 H 11 26.590 0.96055 0.03610 0.82540 0.03105 20.5 26.7878 3631 B 0 1 7 H 11 25.905 1.00165 0.03865 0.78490 0.03030 304.0 27.1791 3635 B 0 1 7 H 11 25.910 0.85850 0.03305 0.83255 0.03215 38.5 24.8317 835 M 1 0 1 C 11 26.590 1.27630 0.04820 0.89305 0.03355 46.0 31.9669 3372 M 1 0 1 C 11 32.500 1.09460 0.03340 1.00515 0.03095 81.5 31.4392 3584 M 1 0 1 C 11 28.185 0.89115 0.03145 0.82695 0.02940 158.5 26.3105 3642 M 1 0 1 H 11 27.500 1.11690 0.04050 0.87365 0.03180 30.5 29.7295 3647 M 1 0 1 H 11 27.275 0.87435 0.03170 0.73670 0.02700 87.5 25.6574 873 M 1 0 4 C 11 37.730 1.08760 0.02890 0.93990 0.02495 318.0 33.4937 3379 M 1 0 4 C 11 26.135 0.82260 0.03145 0.73530 0.02815 181.5 24.3375 3479 M 1 0 4 C 11 34.775 1.21945 0.03505 0.94730 0.02725 272.0 34.4298 3634 M 1 0 4 H 11 30.455 0.99885 0.03285 0.96425 0.03165 53.5 29.0204 3637 M 1 0 4 H 11 26.135 0.87525 0.03360 0.82195 0.03145 134.0 25.2011 813 M 1 0 5 C 11 36.590 1.32480 0.03620 1.06450 0.02910 112.0 36.9123 3549 M 1 0 5 C 11 34.320 1.07860 0.03140 0.91870 0.02675 25.5 31.9310 3565 M 1 0 5 C 11 34.545 1.35140 0.03915 1.07130 0.03100 15.0 36.4988 3627 M 1 0 5 H 11 29.320 0.99230 0.03380 0.90475 0.03090 22.0 28.4404 3636 M 1 0 5 H 11 27.955 0.88440 0.03170 0.87795 0.03140 118.0 26.1047 817 A -1 0 2 C 12 35.000 1.22480 0.03500 1.04975 0.03000 1294.5 34.6117 3462 A -1 0 2 C 12 32.500 0.86635 0.02655 0.96130 0.02960 840.5 27.6951 3578 A -1 0 2 C 12 25.455 0.78770 0.03090 0.80575 0.03165 31.0 23.4824 3639 A -1 0 2 H 12 29.090 0.86845 0.02980 0.90150 0.03105 87.5 26.3158 3641 A -1 0 2 H 12 27.955 0.95810 0.03435 0.82400 0.02945 31.5 27.3135 882 A -1 0 3 C 12 28.410 0.93330 0.03280 0.87465 0.03080 24.0 27.0958 3362 A -1 0 3 C 12 22.725 0.93830 0.04265 0.61075 0.02680 179.0 24.8203 3567 A -1 0 3 C 12 29.320 1.05340 0.03595 0.97365 0.03320 14.0 29.4434 3645 A -1 0 3 H 12 27.955 0.94100 0.03365 0.87085 0.03115 93.5 27.0336 3646 A -1 0 3 H 12 27.045 0.93040 0.03440 0.88770 0.03280 178.0 26.4830 843 A -1 0 6 C 12 28.410 1.16950 0.04090 0.80185 0.02820 27.0 30.9696 3385 A -1 0 6 C 12 29.775 0.96030 0.03220 0.93875 0.03150 35.5 28.1049 3534 A -1 0 6 C 12 36.135 0.90300 0.02500 1.04440 0.02895 39.0 29.8058 3621 A -1 0 6 H 12 28.185 1.19335 0.04235 0.95080 0.03370 75.5 31.2666 3643 A -1 0 6 H 12 22.270 0.86600 0.03895 0.76915 0.03455 281.0 23.4460 735 B 0 1 7 C 12 31.590 1.33265 0.04210 1.06780 0.03380 2966.5 34.9659 3400 B 0 1 7 C 12 32.270 1.13190 0.03505 0.92935 0.02880 351.0 31.9561 3415 B 0 1 7 C 12 28.640 1.15180 0.04020 0.95075 0.03320 615.5 30.7739 3552 B 0 1 7 C 12 33.185 1.18375 0.03560 0.96440 0.02910 14.5 33.1840 3564 B 0 1 7 C 12 25.455 0.90945 0.03570 0.79780 0.03130 52.0 25.4791 3573 B 0 1 7 C 12 31.590 1.31135 0.04150 1.00330 0.03175 91.0 34.6166 896 B 0 1 7 H 12 19.545 0.79615 0.04070 0.72795 0.03725 1285.0 21.1677 3608 B 0 1 7 H 12 27.730 0.87305 0.03160 0.83720 0.03020 213.5 25.8248 3615 B 0 1 7 H 12 22.725 0.83060 0.03660 0.73520 0.03235 33.5 23.0543 3617 B 0 1 7 H 12 26.135 0.84075 0.03220 0.81870 0.03135 178.0 24.6345 3631 B 0 1 7 H 12 32.500 1.33955 0.04110 1.00440 0.03095 231.5 35.4564 3635 B 0 1 7 H 12 26.135 0.76240 0.02920 0.84575 0.03235 30.5 23.3505 835 M 1 0 1 C 12 26.365 1.13350 0.04300 0.91265 0.03460 35.0 29.5303 3372 M 1 0 1 C 12 29.545 0.97765 0.03305 0.95545 0.03235 131.0 28.2950 3584 M 1 0 1 C 12 34.090 0.81975 0.02405 0.98925 0.02900 51.0 27.5916 3642 M 1 0 1 H 12 24.550 0.93690 0.03820 0.78665 0.03205 40.0 25.5509 3647 M 1 0 1 H 12 32.730 0.98975 0.03015 0.92160 0.02815 53.0 29.8138 873 M 1 0 4 C 12 38.180 1.12940 0.02955 1.00385 0.02630 157.0 34.3674 3379 M 1 0 4 C 12 30.685 0.98605 0.03220 0.89540 0.02920 144.5 28.9045 3479 M 1 0 4 C 12 35.910 0.97465 0.02710 1.06910 0.02975 313.0 30.8871 3634 M 1 0 4 H 12 30.680 0.95395 0.03115 0.98545 0.03210 72.5 28.3778 3637 M 1 0 4 H 12 32.045 0.59070 0.01805 0.48325 0.01485 67.5 22.9868 813 M 1 0 5 C 12 38.410 1.32790 0.03465 1.14640 0.02985 105.5 37.7175 3549 M 1 0 5 C 12 40.910 1.21630 0.03000 1.15595 0.02830 40.5 36.9249 3565 M 1 0 5 C 12 35.000 1.51070 0.04300 1.10175 0.03150 27.0 39.3009 3627 M 1 0 5 H 12 27.045 0.86485 0.03200 0.83915 0.03100 21.0 25.4080 3636 M 1 0 5 H 12 27.500 0.82260 0.02990 0.86915 0.03165 85.5 24.9034 817 A -1 0 2 C 13 35.680 1.20810 0.03385 1.08395 0.03035 2403.5 34.6214 3462 A -1 0 2 C 13 34.545 0.91410 0.02640 1.06930 0.03095 706.5 29.3275 3578 A -1 0 2 C 13 32.950 0.84235 0.02525 1.09005 0.03305 42.0 27.4909 3639 A -1 0 2 H 13 29.315 0.73610 0.02500 0.92795 0.03165 101.0 24.2390 3641 A -1 0 2 H 13 32.270 0.77005 0.02400 0.98540 0.03050 900.5 26.0219 882 A -1 0 3 C 13 30.910 0.73490 0.02385 0.98210 0.03180 16.0 24.8791 3362 A -1 0 3 C 13 36.815 1.21885 0.03305 1.13495 0.03085 212.0 35.2686 3567 A -1 0 3 C 13 28.865 0.95095 0.03315 0.97530 0.03370 11.0 27.5741 3645 A -1 0 3 H 13 20.055 0.64205 0.03210 0.63250 0.03160 134.5 18.8524 3646 A -1 0 3 H 13 29.315 0.97790 0.03340 0.92445 0.03150 191.5 28.2052 843 A -1 0 6 C 13 33.860 1.23435 0.03620 1.02045 0.03010 60.5 34.2963 3385 A -1 0 6 C 13 32.045 1.09055 0.03405 1.03110 0.03220 21.5 31.1842 3534 A -1 0 6 C 13 38.865 1.14285 0.02935 1.11545 0.02865 34.5 34.8717 3621 A -1 0 6 H 13 32.045 1.14405 0.03580 1.12910 0.03525 121.0 32.0620 3643 A -1 0 6 H 13 24.090 0.89520 0.03715 0.85565 0.03550 243.0 24.6791 735 B 0 1 7 C 13 30.910 1.06035 0.03430 1.04435 0.03385 2746.0 30.2169 3400 B 0 1 7 C 13 32.275 1.01460 0.03135 0.90470 0.02805 940.5 30.0332 3415 B 0 1 7 C 13 28.410 0.98040 0.03460 0.92780 0.03265 233.5 27.8685 3552 B 0 1 7 C 13 33.185 1.02695 0.03095 0.97950 0.02950 14.5 30.6126 3564 B 0 1 7 C 13 22.730 0.87250 0.03845 0.72135 0.03175 33.5 23.7408 3573 B 0 1 7 C 13 32.955 1.25570 0.03805 1.06445 0.03230 41.0 34.2694 896 B 0 1 7 H 13 20.455 0.85845 0.04190 0.73940 0.03610 1716.0 22.5670 3608 B 0 1 7 H 13 26.365 0.96035 0.03645 0.80035 0.03035 286.0 26.6905 3615 B 0 1 7 H 13 25.910 1.00250 0.03865 0.86785 0.03350 20.0 27.1929 3617 B 0 1 7 H 13 27.500 1.01435 0.03690 0.88530 0.03220 26.5 28.0477 3631 B 0 1 7 H 13 26.365 1.08300 0.04110 0.82800 0.03140 238.5 28.7025 3635 B 0 1 7 H 13 25.455 0.77875 0.03050 0.82330 0.03230 49.0 23.3355 835 M 1 0 1 C 13 30.680 1.29585 0.04220 1.11960 0.03650 39.5 33.9851 3372 M 1 0 1 C 13 32.275 1.13175 0.03485 1.04955 0.03250 108.5 31.9531 3584 M 1 0 1 C 13 35.230 0.90015 0.02560 1.04595 0.02970 30.0 29.3820 3642 M 1 0 1 H 13 24.090 0.82905 0.03450 0.79455 0.03295 26.5 23.5937 3647 M 1 0 1 H 13 33.635 1.10805 0.03295 0.95535 0.02840 101.5 32.1318 873 M 1 0 4 C 13 38.410 1.03845 0.02705 1.02505 0.02665 163.5 32.9704 3379 M 1 0 4 C 13 33.635 1.01510 0.03010 1.00735 0.02995 115.5 30.6070 3479 M 1 0 4 C 13 35.910 1.06955 0.02970 1.08455 0.03020 743.0 32.4425 3634 M 1 0 4 H 13 31.590 0.92680 0.02935 6.58090 0.20705 48.0 28.3105 3637 M 1 0 4 H 13 27.275 0.83605 0.03055 0.87145 0.03195 76.0 25.0290 813 M 1 0 5 C 13 35.455 1.07330 0.03035 1.06670 0.03010 97.0 32.3161 3549 M 1 0 5 C 13 34.320 1.01925 0.02955 0.97570 0.02845 22.0 30.9574 3565 M 1 0 5 C 13 33.635 1.30715 0.03885 1.14810 0.03410 12.5 35.3961 3627 M 1 0 5 H 13 29.315 0.88600 0.03015 0.91700 0.03250 17.5 26.6975 3636 M 1 0 5 H 13 30.455 0.69150 0.02265 0.98860 0.03250 136.0 23.9793