RDKit 3D 110112 0 0 0 0 0 0 0 0999 V2000 -1.6881 5.1623 2.8488 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2892 4.7369 2.4539 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1975 4.2858 1.0158 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6006 5.3537 0.0362 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7293 2.9204 0.7490 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1127 2.7224 1.0725 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2703 2.5074 0.3648 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1405 3.4746 0.4476 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7589 1.4068 -0.4796 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3147 1.3514 -1.8864 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6691 2.5503 -2.7316 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1050 3.8481 -2.3031 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3043 2.2008 -4.1587 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6504 0.1154 0.2211 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7189 -0.8948 0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9570 -1.1715 1.0900 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4032 -1.7664 -1.0804 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6649 -3.2251 -0.8752 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0675 -3.6107 -0.5753 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.1782 -5.1329 -0.3964 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7191 -2.9786 0.5962 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0129 -1.5109 -1.4455 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0759 -2.3755 -1.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4513 -1.9960 -3.1157 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4229 -3.6433 -1.5052 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6628 -4.1026 -2.2549 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1921 -5.1718 -1.3182 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2278 -5.1992 -0.1527 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8569 -3.7492 -0.1384 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8914 -2.7891 0.8724 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2776 -3.1239 1.9664 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4853 -1.4542 0.9696 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6238 -1.5804 2.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6385 -2.5701 1.5849 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5368 -3.8759 2.0088 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4922 -4.7897 1.6064 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5449 -4.4434 0.7949 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6591 -3.1440 0.3639 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7033 -2.2038 0.7599 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0838 -0.8997 -0.1925 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9746 0.4008 -0.7078 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7204 0.5105 -1.9606 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1199 1.6955 0.0158 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5928 1.9125 0.2157 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0325 3.1530 0.8787 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6333 4.4096 0.1432 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7217 3.3063 2.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4561 1.7061 1.2748 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1052 1.9887 1.5663 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4543 1.4283 2.5815 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7084 6.2509 3.1641 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4011 5.1352 1.9954 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0026 4.5742 3.7236 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3744 5.6013 2.6623 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1001 3.9187 3.1184 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9192 4.1861 0.8473 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2608 4.9970 -0.9734 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6904 5.5166 0.0833 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0008 6.2634 0.2401 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5691 2.6672 -0.3072 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2271 2.7714 2.1533 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9008 1.5693 -0.5616 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9262 0.5247 -2.3952 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2467 1.1604 -1.9618 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7995 2.6358 -2.6517 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3141 3.7176 -1.5397 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5511 4.2666 -3.1914 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8590 4.5898 -2.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5306 1.3962 -4.2175 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9049 3.1135 -4.6578 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2075 1.7946 -4.6561 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3979 -0.0585 0.9725 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9874 -1.4968 -1.9897 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0018 -3.7084 -0.1227 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4717 -3.6851 -1.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7342 -3.4157 -1.4697 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9601 -5.6530 -1.3703 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5196 -5.5042 0.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2166 -5.4094 -0.1239 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1009 -2.7856 1.4703 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3349 -2.1083 0.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5111 -3.7051 0.9708 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7017 -0.5052 -1.2653 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2987 -4.4945 -1.6426 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 -3.2560 -2.3979 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3493 -4.5472 -3.2301 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2071 -4.9379 -0.9672 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1864 -6.1368 -1.8747 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6012 -5.5769 0.7718 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3108 -5.7128 -0.5216 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7269 -0.7440 1.4133 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1084 -0.6375 2.2274 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1807 -1.9272 2.9871 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7133 -4.2077 2.6606 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3681 -5.8132 1.9694 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2623 -5.1830 0.5059 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4907 -2.8913 -0.2729 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8316 -1.1954 0.3983 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7059 -1.5932 -0.7352 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6680 2.4858 -0.6386 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9720 0.9995 0.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0619 1.8884 -0.8095 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1751 3.1512 0.8221 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4831 4.9348 -0.3326 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8468 4.1823 -0.6364 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1578 5.0978 0.8679 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0265 2.4494 2.9615 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7067 3.6937 2.5514 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3991 4.1473 2.6907 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0296 1.4639 2.1511 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 9 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 17 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 32 33 1 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 2 0 32 40 1 0 40 41 1 0 41 42 2 0 41 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 45 47 1 0 43 48 1 0 48 49 1 0 49 50 2 0 49 5 1 0 29 25 1 0 39 34 1 0 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 6 4 57 1 0 4 58 1 0 4 59 1 0 5 60 1 6 6 61 1 0 9 62 1 6 10 63 1 0 10 64 1 0 11 65 1 6 12 66 1 0 12 67 1 0 12 68 1 0 13 69 1 0 13 70 1 0 13 71 1 0 14 72 1 0 17 73 1 6 18 74 1 0 18 75 1 0 19 76 1 6 20 77 1 0 20 78 1 0 20 79 1 0 21 80 1 0 21 81 1 0 21 82 1 0 22 83 1 0 25 84 1 1 26 85 1 0 26 86 1 0 27 87 1 0 27 88 1 0 28 89 1 0 28 90 1 0 32 91 1 1 33 92 1 0 33 93 1 0 35 94 1 0 36 95 1 0 37 96 1 0 38 97 1 0 39 98 1 0 40 99 1 0 43100 1 6 44101 1 0 44102 1 0 45103 1 1 46104 1 0 46105 1 0 46106 1 0 47107 1 0 47108 1 0 47109 1 0 48110 1 0 M END