RDKit 3D 104113 0 0 0 0 0 0 0 0999 V2000 3.3105 -4.0139 -0.9886 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4736 -3.1038 -1.6886 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5624 -2.3823 -0.9561 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3723 -2.5339 0.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4333 -1.7083 1.0718 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3087 -0.7547 0.3719 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1287 -0.6327 -1.0176 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8066 -1.4452 -1.6842 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0198 -1.2507 -3.1761 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1013 -0.1836 -3.4713 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5407 1.2753 -3.4329 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2853 1.5435 -4.3061 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0997 3.0391 -4.3901 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5258 3.5464 -3.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3321 4.1207 -2.1268 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4318 4.4948 -0.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1245 5.1238 0.2308 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1479 5.3952 1.1447 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4652 5.0552 0.8531 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7964 4.4253 -0.3506 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7619 4.1468 -1.2605 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7860 3.5424 -2.5072 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9785 3.0215 -3.1381 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7802 4.3199 -2.4434 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1650 3.7443 -3.8535 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6653 2.2754 -3.7777 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3382 1.8584 -5.0918 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8809 0.5449 -4.9969 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9093 -0.4756 -4.7623 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7157 -1.7770 -4.6567 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0482 -0.5813 -5.8849 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0801 3.7985 -4.8682 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7470 5.1643 -5.2657 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1056 -0.0718 1.3211 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8659 -0.6287 2.5613 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0613 -1.6253 2.4053 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6050 -2.4630 3.4517 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5479 -0.1946 3.8264 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8015 -1.0550 4.0716 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8629 -0.8848 2.9618 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.1575 -1.5362 3.3634 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2822 -3.0205 3.3888 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6349 -3.8022 2.2763 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8915 -3.5836 4.2967 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2457 -0.8227 3.6831 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3181 0.5457 3.7129 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0480 1.2149 3.6615 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1064 0.6024 2.6113 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7928 1.4171 2.4822 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0261 1.0903 1.1566 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9963 1.2161 3.7222 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8820 2.1592 3.8227 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9245 -3.4958 -0.2446 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7236 -4.8169 -0.5309 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9876 -4.4714 -1.7165 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9368 -3.2525 1.0058 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6998 0.1126 -1.5634 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2807 -2.2209 -3.6095 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0642 -1.0133 -3.6539 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8430 -0.2164 -2.6571 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2523 1.4645 -2.3914 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5694 0.9864 -3.9075 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4450 1.1769 -5.3253 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9144 3.1427 -5.1167 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8990 5.4050 0.4595 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9107 5.8854 2.0855 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2497 5.2841 1.5709 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8281 4.1696 -0.5685 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5932 2.5233 -2.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5196 3.8590 -3.5849 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7089 2.2923 -3.9042 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4047 3.8765 -1.6599 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9749 5.4001 -2.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0164 4.3393 -4.2129 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4257 2.2035 -2.9871 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6672 1.9120 -5.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1772 2.5304 -5.3039 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0809 -2.6671 -4.6545 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3869 -1.8791 -5.5186 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3495 -1.7804 -3.7635 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6174 -0.8623 -6.6204 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6298 5.6601 -5.6846 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0075 5.1548 -6.0602 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3694 5.7859 -4.4479 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6219 -2.1240 3.6644 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6081 -3.5003 3.1069 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0092 -2.3935 4.3508 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8784 -0.3017 4.6879 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5202 -2.1137 4.1465 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2297 -0.7858 5.0473 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4998 -1.3741 2.0502 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7539 -3.2816 1.3222 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5753 -3.9521 2.4971 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1267 -4.7753 2.1865 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2058 -1.2589 3.9359 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2555 2.2620 3.4141 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6142 1.2036 4.6686 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6382 0.6368 1.6489 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0899 2.4726 2.4218 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4118 1.9560 0.8841 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7277 0.9134 0.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3677 2.0353 4.7823 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1391 2.0548 3.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2561 3.1888 3.8041 H 0 0 0 0 0 0 0 0 0 0 0 0 45 46 1 0 51 52 1 0 48 47 1 0 3 2 1 0 34 50 1 0 2 1 1 0 36 37 1 0 8 9 1 0 35 38 1 0 38 51 1 0 21 22 1 0 22 14 1 0 15 16 1 0 15 14 2 0 48 98 1 6 51 49 1 0 40 91 1 6 49 50 1 0 49 99 1 6 5 36 1 0 15 24 1 0 14 13 1 0 13 32 1 0 32 25 1 0 25 24 1 0 38 88 1 1 13 12 1 0 38 39 1 0 25 26 1 0 26 11 1 0 11 12 1 0 11 10 1 0 41 42 1 0 10 29 1 0 36 35 1 0 29 30 1 0 49 48 1 0 29 31 1 6 5 6 2 0 26 27 1 0 48 40 1 0 27 28 1 0 6 7 1 0 22 23 1 0 40 39 1 0 7 8 2 0 26 75 1 1 34 6 1 0 11 61 1 1 8 3 1 0 25 74 1 6 40 41 1 0 13 64 1 6 3 4 2 0 10 60 1 1 4 5 1 0 34 35 2 0 21 16 2 0 42 44 2 0 16 17 1 0 41 45 2 0 17 18 2 0 42 43 1 0 18 19 1 0 19 20 2 0 20 21 1 0 46 47 1 0 32 33 1 0 10 9 1 0 29 28 1 0 50100 1 0 50101 1 0 39 89 1 0 39 90 1 0 45 95 1 0 37 85 1 0 37 86 1 0 37 87 1 0 7 57 1 0 4 56 1 0 43 92 1 0 43 93 1 0 43 94 1 0 47 96 1 0 47 97 1 0 52102 1 0 52103 1 0 52104 1 0 1 53 1 0 1 54 1 0 1 55 1 0 9 58 1 0 9 59 1 0 24 72 1 0 24 73 1 0 12 62 1 0 12 63 1 0 30 78 1 0 30 79 1 0 30 80 1 0 31 81 1 0 27 76 1 0 27 77 1 0 23 69 1 0 23 70 1 0 23 71 1 0 17 65 1 0 18 66 1 0 19 67 1 0 20 68 1 0 33 82 1 0 33 83 1 0 33 84 1 0 M END