RDKit 3D 139140 0 0 0 0 0 0 0 0999 V2000 2.3760 3.0855 -2.5369 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0280 2.7510 -1.1988 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4891 3.4921 -0.2704 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1742 1.6082 -0.8199 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9977 0.3168 -0.6728 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0264 0.4494 0.3169 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3207 0.9369 0.0731 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5695 1.2927 -1.1116 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3998 1.0684 1.0874 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5605 1.9038 0.6596 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1456 3.2029 0.3140 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5174 1.3088 -0.3090 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9999 1.1105 -1.6532 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6814 2.3307 -0.4215 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6893 1.8445 -1.4434 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7417 2.8260 -1.6956 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6936 3.2673 -0.6947 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6521 2.3417 -0.1948 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5147 1.2148 0.5878 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3938 0.8848 1.0095 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6871 0.3739 0.9497 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9243 0.7119 0.4396 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0170 -0.0968 0.7551 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8741 -1.2029 1.5509 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2924 -2.1829 1.9103 S 0 0 2 0 0 6 0 0 0 0 0 0 17.5960 -2.1934 3.3794 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4794 -1.6220 1.1824 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9853 -3.7266 1.3277 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6663 -1.5489 2.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5161 -2.6647 2.8629 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5300 -0.7489 1.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3622 -1.1531 2.3024 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0613 -0.7597 -0.2477 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3007 -1.4375 0.7752 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1090 -1.0310 -0.9687 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0939 -2.0763 -0.5459 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2304 -1.2488 -0.0677 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9008 -0.2931 0.7255 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5487 -1.3831 -0.3798 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5981 -0.4671 0.1731 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.5286 -1.1546 1.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6420 -2.6679 0.9059 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0162 -3.0010 1.4646 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5615 -4.3239 1.0791 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1631 -4.3654 -0.2333 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.4671 -3.9331 -0.5672 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7494 -3.8719 -1.7956 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.4978 -3.5584 0.3959 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5789 -2.7524 -0.1096 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.6769 -1.9314 -1.2155 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6272 -2.1706 -2.0497 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.8212 -0.7658 -1.6074 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.5933 0.5306 -1.4665 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.8326 1.5941 -1.9498 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.9964 0.8196 -0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7354 1.9159 0.4395 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.6763 -0.1385 0.6250 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5863 -0.8031 -0.8646 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.2814 -0.5133 -1.1891 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5092 -1.5487 -1.4002 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5645 0.7762 -1.3484 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.7647 1.7753 -0.2622 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0421 3.0732 -0.4585 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3436 3.9710 0.7447 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9327 3.3819 1.9755 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.6872 3.0668 2.9694 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0764 2.4800 4.1198 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.0820 3.2915 2.9792 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1669 0.5352 -1.6774 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0299 0.3781 -0.9271 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0592 1.1940 -1.2831 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4273 -3.0075 -1.6382 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1970 -3.4638 -2.2024 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9408 -4.2849 -0.9968 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2987 -5.3515 -1.1512 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0861 -4.2745 -0.2606 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0590 2.4839 -3.3131 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9396 3.9177 -2.7405 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5636 1.7970 0.0616 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4851 1.4369 -1.6806 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4426 0.1735 -1.6599 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8011 0.1687 1.3048 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7818 0.0172 1.2482 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9998 1.3689 2.0882 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1641 2.0797 1.6119 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0394 3.3303 -0.6447 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9214 0.3689 0.0525 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0390 1.9419 -2.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3023 0.2160 -2.0466 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3019 3.3051 -0.7298 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1864 2.4236 0.5517 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0043 0.8218 -1.1808 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0546 1.7359 -2.4006 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2326 3.7424 -2.1661 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3644 2.4409 -2.6019 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1316 3.7023 0.2331 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2256 4.2082 -1.0413 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6644 2.5982 -0.5022 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0921 1.5746 -0.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9842 0.1913 0.3304 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7234 -3.9993 0.7455 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6130 -2.9428 3.2584 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4773 -0.7980 2.2684 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3325 -0.5122 -1.8287 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5939 -2.6061 0.2837 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9334 -2.0842 -1.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9733 0.2177 0.8523 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5321 -0.6872 1.0736 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1805 -1.0255 2.1243 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9136 -3.1979 1.5905 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6005 -3.0154 -0.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7562 -2.2130 1.2311 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9115 -2.9357 2.5938 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7548 -5.1071 1.1071 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2828 -4.6572 1.8659 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5673 -4.7612 -1.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0612 -3.1560 1.3567 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9179 -4.5598 0.7573 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4611 -2.8338 0.5129 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6878 -0.8678 -2.7234 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4626 0.4406 -2.1592 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2075 2.4710 -1.6594 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0368 0.0822 1.5251 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7755 -1.1592 0.1514 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0885 1.2465 -2.2466 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4877 1.3698 0.7367 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8569 2.0055 -0.1655 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9511 2.9191 -0.4833 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3379 3.5741 -1.3998 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8391 4.9542 0.6369 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4361 4.1757 0.6967 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6820 1.5195 4.1178 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0226 3.0271 4.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7747 2.6216 2.6396 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4621 4.2052 3.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0307 0.4658 -2.7548 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1022 -2.6024 -2.3638 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2667 -3.9049 -1.4487 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3900 -5.1008 0.2168 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 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 10 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 25 27 2 0 25 28 1 6 24 29 1 0 29 30 1 0 29 31 2 0 31 32 1 0 5 33 1 0 33 34 2 0 33 35 1 0 35 36 1 0 36 37 1 0 37 38 2 0 37 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 52 53 1 0 53 54 1 0 53 55 1 0 55 56 2 0 55 57 1 0 52 58 1 0 58 59 1 0 59 60 2 0 59 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 2 3 66 67 1 0 66 68 1 0 61 69 1 0 69 70 1 0 70 71 2 0 36 72 1 0 72 73 1 0 72 74 1 0 74 75 2 0 74 76 1 0 31 21 1 0 70 40 1 0 1 77 1 0 1 78 1 0 4 79 1 0 4 80 1 0 5 81 1 6 6 82 1 0 9 83 1 0 9 84 1 0 10 85 1 1 11 86 1 0 12 87 1 1 13 88 1 0 13 89 1 0 14 90 1 0 14 91 1 0 15 92 1 0 15 93 1 0 16 94 1 0 16 95 1 0 17 96 1 0 17 97 1 0 18 98 1 0 22 99 1 0 23100 1 0 28101 1 0 30102 1 0 32103 1 0 35104 1 0 36105 1 1 39106 1 0 40107 1 1 41108 1 0 41109 1 0 42110 1 0 42111 1 0 43112 1 0 43113 1 0 44114 1 0 44115 1 0 45116 1 0 48117 1 0 48118 1 0 49119 1 0 52120 1 6 53121 1 6 54122 1 0 57123 1 0 58124 1 0 61125 1 6 62126 1 0 62127 1 0 63128 1 0 63129 1 0 64130 1 0 64131 1 0 67132 1 0 67133 1 0 68134 1 0 68135 1 0 69136 1 0 72137 1 6 73138 1 0 76139 1 0 M END