HT2LIG000031 3D Structure written by MMmdl. 55 60 0 0 1 0 999 V2000 2.2241 5.9927 -0.6024 C 0 0 0 0 0 0 1.3914 5.9081 0.5482 O 0 0 0 0 0 0 0.7493 4.7120 0.7927 C 0 0 0 0 0 0 0.5917 3.7282 -0.1269 C 0 0 0 0 0 0 -0.0335 2.4394 0.1562 C 0 0 0 0 0 0 -0.4907 2.1801 1.4041 C 0 0 0 0 0 0 -0.3929 3.1527 2.5064 C 0 0 0 0 0 0 -0.8038 2.9003 3.6402 O 0 0 0 0 0 0 0.2638 4.5198 2.1809 C 0 0 0 0 0 0 0.3631 5.3824 3.0560 O 0 0 0 0 0 0 -0.1577 1.3990 -0.9669 C 0 0 1 0 0 0 1.0782 0.4924 -1.1524 C 0 0 2 0 0 0 1.1501 -0.5829 -0.0913 C 0 0 2 0 0 0 2.6091 -1.0450 -0.1884 C 0 0 0 0 0 0 3.2868 0.1590 -0.5286 O 0 0 0 0 0 0 2.4862 1.0631 -1.1044 C 0 0 0 0 0 0 2.8105 2.1636 -1.5427 O 0 0 0 0 0 0 -0.0036 -1.5867 -0.2728 C 0 0 2 0 0 0 0.2249 -2.4912 -1.3926 N 0 0 0 0 0 0 0.6688 -3.8073 -1.1915 C 0 0 0 0 0 0 0.4126 -4.7515 -2.2076 C 0 0 0 0 0 0 0.8263 -6.0903 -2.0641 C 0 0 0 0 0 0 1.5074 -6.4965 -0.9011 C 0 0 0 0 0 0 1.7740 -5.5613 0.1156 C 0 0 0 0 0 0 2.7006 -6.1024 1.6862 Br 0 0 0 0 0 0 1.3576 -4.2232 -0.0272 C 0 0 0 0 0 0 -1.3338 -0.8628 -0.4881 C 0 0 0 0 0 0 -2.5191 -1.6260 -0.3581 C 0 0 0 0 0 0 -3.7504 -0.9910 -0.5722 C 0 0 0 0 0 0 -4.9997 -1.5146 -0.4960 O 0 0 0 0 0 0 -5.8768 -0.4564 -0.7865 C 0 0 0 0 0 0 -5.1269 0.7013 -1.0536 O 0 0 0 0 0 0 -3.8265 0.3420 -0.9086 C 0 0 0 0 0 0 -2.6763 1.1313 -1.0537 C 0 0 0 0 0 0 -1.4123 0.5269 -0.8391 C 0 0 0 0 0 0 -0.2733 1.9610 -1.8959 H 0 0 0 0 0 0 0.9917 0.0058 -2.1244 H 0 0 0 0 0 0 1.0270 -0.1135 0.8859 H 0 0 0 0 0 0 -0.1129 -2.1607 0.6484 H 0 0 0 0 0 0 2.9416 5.1708 -0.6425 H 0 0 0 0 0 0 2.7944 6.9215 -0.5638 H 0 0 0 0 0 0 1.6380 6.0066 -1.5222 H 0 0 0 0 0 0 0.9503 3.8789 -1.1335 H 0 0 0 0 0 0 -0.9589 1.2371 1.6426 H 0 0 0 0 0 0 2.9760 -1.4672 0.7466 H 0 0 0 0 0 0 2.7556 -1.7736 -0.9859 H 0 0 0 0 0 0 -0.3802 -2.3316 -2.1878 H 0 0 0 0 0 0 -0.1091 -4.4594 -3.1080 H 0 0 0 0 0 0 0.6210 -6.8059 -2.8472 H 0 0 0 0 0 0 1.8263 -7.5227 -0.7860 H 0 0 0 0 0 0 1.5845 -3.5369 0.7727 H 0 0 0 0 0 0 -2.4818 -2.6745 -0.1014 H 0 0 0 0 0 0 -6.4825 -0.7103 -1.6572 H 0 0 0 0 0 0 -6.5311 -0.2791 0.0681 H 0 0 0 0 0 0 -2.7658 2.1763 -1.3131 H 0 0 0 0 0 0 1 2 1 0 0 0 1 40 1 0 0 0 1 41 1 0 0 0 1 42 1 0 0 0 2 3 1 0 0 0 3 9 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 4 43 1 0 0 0 5 6 2 0 0 0 5 11 1 0 0 0 6 7 1 0 0 0 6 44 1 0 0 0 7 8 2 0 0 0 7 9 1 0 0 0 9 10 2 0 0 0 11 36 1 0 0 0 11 35 1 0 0 0 11 12 1 0 0 0 12 37 1 0 0 0 12 16 1 0 0 0 12 13 1 0 0 0 13 38 1 0 0 0 13 14 1 0 0 0 13 18 1 0 0 0 14 15 1 0 0 0 14 45 1 0 0 0 14 46 1 0 0 0 15 16 1 0 0 0 16 17 2 0 0 0 18 39 1 0 0 0 18 19 1 0 0 0 18 27 1 0 0 0 19 20 1 0 0 0 19 47 1 0 0 0 20 26 1 0 0 0 20 21 2 0 0 0 21 22 1 0 0 0 21 48 1 0 0 0 22 23 2 0 0 0 22 49 1 0 0 0 23 24 1 0 0 0 23 50 1 0 0 0 24 25 1 0 0 0 24 26 2 0 0 0 26 51 1 0 0 0 27 35 2 0 0 0 27 28 1 0 0 0 28 29 2 0 0 0 28 52 1 0 0 0 29 33 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 31 53 1 0 0 0 31 54 1 0 0 0 32 33 1 0 0 0 33 34 2 0 0 0 34 35 1 0 0 0 34 55 1 0 0 0 M END > 364491 > HT2LIG000031.1 $$$$