RDKit 3D 114118 0 0 0 0 0 0 0 0999 V2000 0.8216 3.1744 2.6242 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0174 3.0096 1.5254 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5497 1.7295 1.4568 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0503 1.7202 1.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7727 2.0317 0.3229 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8819 1.1887 0.2354 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0791 1.8468 0.1140 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.6754 1.4102 -1.2339 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7969 1.7385 -2.2725 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7826 -0.0950 -1.1135 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7500 -0.4226 -0.0253 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.0734 -0.2814 -0.3648 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8027 -1.4216 -0.4596 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.4795 -1.6314 -1.8121 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.5471 -1.4990 -2.9679 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9364 -2.9941 -1.7909 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.1009 -3.6081 -0.5342 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8032 -4.7865 -0.2938 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.6774 -2.7136 0.5243 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9368 -1.3677 0.5422 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.4418 -1.2254 1.8174 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0285 -0.1112 2.4224 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3598 0.0886 1.1781 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0880 1.4334 1.1631 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.3565 2.2286 1.0622 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9830 1.8243 -0.8037 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2274 0.6569 -0.6921 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7042 0.3181 -2.0601 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0753 0.9811 0.2142 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9270 1.6969 -0.4343 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1478 1.0767 -0.4681 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7640 0.8855 -1.8177 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8044 -0.2206 -1.6430 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1431 -1.2763 -1.0301 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2544 -2.4641 -1.7191 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8477 0.3528 -0.6499 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6330 -0.7521 -0.2990 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9201 -0.6675 -0.8164 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0718 -1.5919 -1.8795 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4026 -1.7695 -2.2012 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9968 -3.0431 -1.6897 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2660 -0.5639 -1.9041 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5949 -0.9005 -2.2152 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2581 -0.1649 -0.4484 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4108 -0.5299 0.2121 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0122 0.6258 0.7142 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0101 -0.8038 0.1757 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7040 -0.2115 1.4089 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7067 -0.9053 2.6125 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3836 -0.2832 3.9219 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0096 -2.1441 2.5426 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1720 0.9054 0.5519 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1733 1.7305 1.3557 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1072 1.7542 0.2980 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3126 3.0043 3.5796 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7800 2.6238 2.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1153 4.2611 2.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1431 1.1727 2.3269 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4121 0.7817 2.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3029 2.5373 2.3219 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1536 3.0725 0.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9851 2.9495 0.1166 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6285 1.9327 -1.3252 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7582 0.9464 -2.8656 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7470 -0.4294 -0.7982 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9567 -0.5988 -2.0613 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6394 -1.5610 0.1079 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2529 -2.3566 -0.2519 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3547 -0.9762 -1.8913 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0913 -1.8387 -3.8728 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7002 -2.2037 -2.8392 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2274 -0.4559 -3.1569 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6608 -3.2174 1.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7238 -2.5091 0.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6657 -0.5392 0.3244 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1483 -0.2580 2.4716 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6749 -0.0118 3.4518 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8896 0.7987 1.8129 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6622 1.7194 2.1915 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1350 3.3188 0.9967 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8980 2.0906 2.0168 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9557 1.9343 0.2067 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8343 -0.1907 -0.3084 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0730 -0.4709 -2.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5238 -0.0364 -2.7406 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2173 1.2172 -2.5044 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4009 0.0075 0.5128 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0568 0.0768 0.0331 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0879 0.6299 -2.6323 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3733 1.8031 -2.0773 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3117 -0.4783 -2.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8484 -2.4369 -2.7471 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6266 -3.2119 -1.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2876 -2.8849 -1.6916 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4047 1.0986 -1.2264 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0004 0.3193 -1.3311 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4165 -1.8518 -3.3311 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8989 -2.8447 -1.0465 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4026 -3.6997 -2.5157 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2576 -3.6988 -1.1698 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0093 0.2897 -2.5694 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0954 -1.2355 -1.4426 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0976 0.9514 -0.4146 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9514 0.4188 1.2625 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3106 1.2067 1.3539 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2754 1.3306 -0.1276 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2346 -1.8761 0.3843 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3692 -0.4977 4.2599 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6502 0.7932 3.9425 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0737 -0.7659 4.6695 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8668 0.0522 1.1976 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5052 1.1680 2.2633 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6865 2.6501 1.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9974 2.0207 0.6810 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 4 5 1 0 5 6 1 0 6 7 1 0 7 24 1 0 24 25 1 0 24 23 1 0 23 11 1 0 11 10 1 0 10 8 1 0 8 9 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 5 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 33 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 40 42 1 0 42 43 1 0 42 44 1 0 44 45 1 0 45 46 1 0 44 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 49 51 2 0 36 52 1 0 52 53 1 0 52 54 1 0 29 3 1 0 54 31 1 0 8 7 1 0 20 13 1 0 47 38 1 0 1 55 1 0 1 56 1 0 1 57 1 0 3 58 1 1 4 59 1 0 4 60 1 0 5 61 1 1 7 62 1 6 24 79 1 1 25 80 1 0 25 81 1 0 25 82 1 0 11 67 1 1 10 65 1 0 10 66 1 0 8 63 1 6 9 64 1 0 13 68 1 1 14 69 1 6 15 70 1 0 15 71 1 0 15 72 1 0 19 73 1 0 19 74 1 0 20 75 1 6 22 76 1 0 22 77 1 0 22 78 1 0 27 83 1 1 28 84 1 0 28 85 1 0 28 86 1 0 29 87 1 1 31 88 1 1 32 89 1 0 32 90 1 0 33 91 1 6 35 92 1 0 35 93 1 0 35 94 1 0 36 95 1 6 38 96 1 6 40 97 1 6 41 98 1 0 41 99 1 0 41100 1 0 42101 1 6 43102 1 0 44103 1 6 46104 1 0 46105 1 0 46106 1 0 47107 1 1 50108 1 0 50109 1 0 50110 1 0 52111 1 1 53112 1 0 53113 1 0 53114 1 0 M END