RDKit 3D 100104 0 0 0 0 0 0 0 0999 V2000 -0.8752 -2.7687 0.2637 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1069 -1.8912 0.4264 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9227 -2.1691 1.6396 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0501 -1.2743 1.9327 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8256 0.0144 1.1766 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6939 -0.1325 -0.3010 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3409 -0.7652 -0.5481 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6858 0.3357 -0.2871 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0835 -0.1247 -0.2662 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1214 0.9473 -0.0339 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0851 2.0598 -1.0458 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2370 1.4838 1.3369 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0125 1.9179 2.0534 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2334 2.6530 1.3382 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5548 2.0065 1.0462 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6123 0.8926 0.3413 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4659 0.1609 -0.2311 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.6643 -0.1821 -1.6613 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9559 0.4100 -2.2072 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1356 0.0430 -1.3489 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9581 0.2980 0.1055 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.0669 -0.9823 0.9241 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0651 1.2094 0.5825 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0798 -1.3130 -1.8982 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1412 -1.1630 -2.9378 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3561 -0.4096 -2.5458 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1354 1.0345 -2.8015 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7820 -0.7152 -1.0737 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8907 -2.2254 -1.0912 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1402 -0.1451 -1.0318 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9863 -0.1635 0.1278 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1128 0.9809 0.9355 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8796 1.0694 2.0452 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9345 2.2633 2.7813 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1702 3.3558 2.2866 S 0 0 2 0 0 6 0 0 0 0 0 0 7.2654 4.5307 3.1831 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8682 3.7454 0.8603 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6008 2.4645 2.2481 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5978 -0.0246 2.4338 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5193 -1.1745 1.6885 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7230 -1.2412 0.5492 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7434 -2.4583 -0.1052 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8609 -2.8088 -1.3341 S 0 0 2 0 0 6 0 0 0 0 0 0 7.3577 -1.5904 -2.0265 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2228 -3.7233 -2.3600 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1722 -3.6080 -0.6292 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0754 -3.5909 0.9414 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5340 -2.6988 -0.5721 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2030 -2.2636 2.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3435 -3.2205 1.5676 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0660 -1.6678 1.8962 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9335 -0.9617 3.0289 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7810 0.2834 1.5437 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3776 0.8767 1.5498 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5838 0.9425 -0.6535 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6381 0.9544 -1.2981 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3716 1.1063 0.3998 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2477 -0.8290 0.6166 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3545 -0.6033 -1.2216 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0747 2.4961 -1.1801 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7065 1.7593 -2.0387 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4227 2.8575 -0.6009 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7335 0.7179 2.0236 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4099 1.0984 2.4578 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4191 2.4125 3.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4579 2.7532 1.5901 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2835 3.0841 2.3423 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9451 3.4228 0.6273 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4754 2.4403 1.4067 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3330 -0.7715 0.3537 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8644 0.1205 -2.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7730 -1.2974 -1.8023 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1345 -0.0780 -3.2007 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9238 1.4929 -2.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3606 -1.0474 -1.4875 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0200 0.5684 -1.7838 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6104 -0.7884 1.8843 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0830 -1.3866 1.2024 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6845 -1.6774 0.3425 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1427 1.2599 1.6728 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0237 2.2139 0.0881 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0227 0.7562 0.2102 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2561 -2.3748 -1.9268 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8258 -0.7966 -2.3601 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7339 -0.6499 -3.8674 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4568 -2.1518 -3.3356 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2485 -0.7570 -3.1521 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0329 1.2547 -2.9672 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5986 1.7607 -2.1506 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5615 1.2499 -3.8335 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9931 -2.7432 -1.5077 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6926 -2.5155 -1.8369 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1093 -2.7203 -0.1701 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2164 0.9125 -1.4555 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7508 -0.6762 -1.8503 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5420 1.8572 0.6312 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7298 1.9774 1.4174 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2078 0.0482 3.3184 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0989 -2.0180 2.0237 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2792 -3.2148 0.2783 H 0 0 0 0 0 0 0 0 0 0 0 0 27 26 1 0 26 25 1 0 25 24 1 0 24 7 1 0 7 8 1 1 8 9 1 0 10 9 1 1 10 11 1 0 10 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 1 21 23 1 0 7 6 1 0 6 5 1 0 5 4 1 0 4 3 1 0 3 2 1 0 2 1 2 3 6 28 1 0 28 29 1 6 28 30 1 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 1 0 35 34 1 1 35 38 1 0 35 36 2 0 35 37 2 0 33 39 2 0 39 40 1 0 40 41 2 0 41 42 1 0 43 42 1 1 43 46 1 0 43 44 2 0 43 45 2 0 28 26 1 0 41 31 1 0 2 7 1 0 17 10 1 0 21 16 1 0 27 88 1 0 27 89 1 0 27 90 1 0 26 87 1 6 25 85 1 0 25 86 1 0 24 83 1 0 24 84 1 0 8 56 1 0 8 57 1 0 9 58 1 0 9 59 1 0 11 60 1 0 11 61 1 0 11 62 1 0 12 63 1 1 13 64 1 0 13 65 1 0 13 66 1 0 14 67 1 0 14 68 1 0 15 69 1 0 17 70 1 1 18 71 1 0 18 72 1 0 19 73 1 0 19 74 1 0 20 75 1 0 20 76 1 0 22 77 1 0 22 78 1 0 22 79 1 0 23 80 1 0 23 81 1 0 23 82 1 0 6 55 1 6 5 53 1 0 5 54 1 0 4 51 1 0 4 52 1 0 3 49 1 0 3 50 1 0 1 47 1 0 1 48 1 0 29 91 1 0 29 92 1 0 29 93 1 0 30 94 1 0 30 95 1 0 32 96 1 0 38 97 1 0 39 98 1 0 40 99 1 0 46100 1 0 M END