RDKit 3D 103107 0 0 0 0 0 0 0 0999 V2000 4.7497 2.3097 1.8659 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0902 1.0753 2.4248 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0657 1.1632 3.9375 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8387 -0.1067 1.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9229 -0.4505 2.5171 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3380 -0.8975 0.8235 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2506 -1.5096 -0.0251 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2086 -0.8669 -0.8065 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9550 -1.8005 -1.5345 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1805 -1.1803 -1.8070 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1429 -2.1839 -2.4261 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3341 -3.2290 -1.5234 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0176 0.0537 -2.6311 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7007 -0.0401 -3.8601 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5909 0.3835 -2.9411 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2353 -0.2711 -4.1201 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6401 0.1094 -1.8057 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3223 1.2955 -1.1612 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0340 -1.0121 0.6365 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1023 -0.3416 1.5691 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6747 0.9593 1.9612 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9924 2.0865 1.9483 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5706 2.2406 1.5502 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0609 0.8494 1.6843 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7811 -0.0248 0.8401 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1952 0.5765 -0.4826 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0442 -1.2761 0.5324 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4778 -2.3762 0.8288 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2291 -1.0052 -0.1532 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1628 -0.3512 0.8963 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3616 -1.5005 1.8568 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3585 0.0886 0.1379 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.6851 -0.4892 0.4576 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.3902 -0.0339 1.6762 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7366 -1.8632 0.3941 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6289 -0.0173 -0.6609 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8092 1.1732 -0.7922 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2835 -0.9841 -1.5346 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4596 -0.5738 -2.3043 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.6964 -1.5903 -3.2781 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7150 -0.1766 -1.6647 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6628 0.9512 -0.7093 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4873 -1.3680 -1.0887 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5683 0.2797 -2.7316 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3669 1.5743 0.1118 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4136 2.1028 -1.1988 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0656 2.0012 0.7197 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5219 0.8343 1.5338 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1322 1.0060 2.9189 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1326 2.6624 1.0172 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7494 2.0420 1.4896 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9039 3.0929 2.6345 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2502 1.8694 4.1971 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8921 0.1986 4.4126 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0119 1.5769 4.3017 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9201 -0.3012 -0.1662 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6171 -0.9177 -0.8098 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1209 -1.6665 -2.5252 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7693 -2.6121 -3.3589 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6305 -2.9171 -0.6466 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4899 0.9286 -2.1061 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6853 0.0501 -3.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5481 1.4816 -3.1709 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7050 -1.1290 -4.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6920 -0.2811 -2.2583 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6296 1.7374 -1.6924 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7069 -1.6049 -0.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8996 -1.0014 2.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4706 3.0477 2.2501 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1147 2.9466 2.2718 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5715 2.6024 0.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2228 0.5781 2.7502 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1239 1.1757 -0.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4131 1.1007 -1.0228 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4955 -0.2817 -1.1546 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1383 -0.3309 -1.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6584 -1.9437 -0.4985 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3046 -1.7773 2.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6592 -2.4111 1.2677 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9376 -1.3040 2.7414 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2454 -0.1796 -0.9837 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4725 -0.3642 1.5436 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1034 -0.4601 2.6311 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4865 1.0619 1.8105 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4685 -2.1927 0.9469 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5206 -1.4027 -2.2898 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4822 -1.8958 -0.8914 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1364 0.3094 -2.9558 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4253 -2.4355 -2.8776 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2741 1.8673 -1.1742 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1433 0.7333 0.2343 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7643 1.2300 -0.4382 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5781 -1.1936 -1.1856 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2424 -2.2940 -1.6542 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1964 -1.4269 -0.0237 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5110 1.2615 -2.8082 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2189 2.0622 0.6262 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2026 1.3566 -1.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2653 2.8881 1.3582 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3968 2.3268 -0.0674 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5664 1.8921 3.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1674 1.3149 2.9191 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8605 0.1801 3.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 42 41 1 0 41 43 1 0 41 44 1 0 41 39 1 0 39 40 1 0 39 38 1 0 38 36 1 0 36 37 2 0 36 33 1 0 33 34 1 0 33 35 1 1 33 32 1 0 32 45 1 0 45 46 1 0 45 47 1 0 47 48 1 0 48 49 1 1 48 24 1 0 24 23 1 0 23 22 1 0 22 21 2 0 21 20 1 0 20 19 1 0 19 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 10 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 6 4 1 0 4 5 2 0 4 2 1 0 2 1 1 0 2 3 1 0 20 25 1 0 25 26 1 6 25 27 1 0 27 28 2 0 27 29 1 0 29 30 1 0 30 31 1 1 30 32 1 0 30 48 1 0 25 24 1 0 2 21 1 0 17 8 1 0 42 90 1 0 42 91 1 0 42 92 1 0 43 93 1 0 43 94 1 0 43 95 1 0 44 96 1 0 39 88 1 6 40 89 1 0 38 86 1 0 38 87 1 0 34 82 1 0 34 83 1 0 34 84 1 0 35 85 1 0 32 81 1 6 45 97 1 1 46 98 1 0 47 99 1 0 47100 1 0 49101 1 0 49102 1 0 49103 1 0 24 72 1 1 23 70 1 0 23 71 1 0 22 69 1 0 20 68 1 1 19 67 1 0 8 56 1 1 10 57 1 1 11 58 1 0 11 59 1 0 12 60 1 0 13 61 1 1 14 62 1 0 15 63 1 6 16 64 1 0 17 65 1 6 18 66 1 0 1 50 1 0 1 51 1 0 1 52 1 0 3 53 1 0 3 54 1 0 3 55 1 0 26 73 1 0 26 74 1 0 26 75 1 0 29 76 1 0 29 77 1 0 31 78 1 0 31 79 1 0 31 80 1 0 M END