RDKit 3D 97100 0 0 0 0 0 0 0 0999 V2000 -4.0616 -3.9623 -0.2122 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3633 -2.8379 0.3978 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7400 -2.8063 1.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1312 -1.3236 0.9337 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6112 -0.8670 -0.3846 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.7262 -1.9751 -1.2679 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1031 -0.5125 -0.3547 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6558 -0.5271 -1.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9336 0.7456 0.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3164 2.0452 -0.1647 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6787 2.3284 -0.5903 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4874 3.1622 0.0834 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8704 3.4265 -0.3799 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0277 3.8545 1.3198 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4998 -1.6304 0.5076 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1126 -2.0064 0.1663 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0635 -0.9514 0.2374 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2630 -1.6058 -0.1526 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0705 -2.1975 -1.5228 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6473 -2.7310 0.7747 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8980 -2.1743 2.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1730 -1.3634 2.0597 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3975 -0.7800 0.7113 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3707 -0.6128 -0.1053 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2872 0.5823 -1.0111 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5052 1.4418 -0.8248 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7303 0.5861 -0.8417 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7707 -0.1697 -2.1532 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8139 -0.3879 0.3126 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5274 -1.6032 -0.1914 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4469 0.1941 1.5185 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8218 0.6795 1.4023 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9824 2.0247 1.0483 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2570 2.5197 0.8531 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4042 3.8709 0.4977 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4247 4.3095 -1.1318 S 0 0 0 0 0 6 0 0 0 0 0 0 6.0765 4.8193 -1.5201 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4557 5.4055 -1.2844 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8200 3.0217 -2.1352 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3740 1.7423 0.9935 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2197 0.4356 1.3396 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9376 -0.1024 1.5476 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9353 -1.4335 1.9065 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1307 -4.1504 -0.7184 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7614 -4.8171 -0.2499 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4604 -3.3567 0.4149 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6974 -3.1370 2.0929 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7712 -0.8250 1.8225 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2365 -1.2294 0.9074 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2215 -0.0928 -0.8109 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2227 -1.7437 -2.0763 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2718 -1.5369 -2.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5500 -0.4059 -2.4406 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8782 0.2258 -2.0291 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8800 0.8433 0.8349 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5316 0.6523 1.3734 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0852 2.8152 0.6568 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6073 2.3971 -0.9806 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0939 1.9146 -1.5106 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0455 4.4815 -0.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1452 2.7698 -1.2319 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5961 3.1537 0.4367 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2175 4.5773 1.1342 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8629 4.3680 1.8353 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6859 3.0313 2.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5661 -1.3156 1.5727 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8087 -2.7936 0.9208 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0464 -2.5439 -0.8071 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1710 -0.1092 -0.4538 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9953 -0.5292 1.2688 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2596 -3.2677 -1.3993 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6787 -1.6492 -2.1298 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0605 -2.2759 -2.0135 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0168 -3.6132 0.7328 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6697 -3.0616 0.4122 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0583 -1.6419 2.5987 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0635 -3.0761 2.8161 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0125 -2.0560 2.3415 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1536 -0.5291 2.7967 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2456 0.2684 -2.0714 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3664 1.1795 -0.7951 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5655 2.1120 -1.7077 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4381 2.0926 0.0702 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6575 1.2290 -0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7526 -0.6580 -2.3336 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9276 -0.8579 -2.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6811 0.5642 -3.0137 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5807 -1.4426 -0.4263 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4677 -2.4412 0.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0087 -2.0529 -1.0814 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3769 -0.5818 2.3442 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7471 1.0043 1.8876 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1084 2.6710 0.9387 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7374 2.6866 -1.9768 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3506 2.2032 0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1156 -0.1805 1.4503 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0885 -1.9028 2.1333 H 0 0 0 0 0 0 0 0 0 0 0 0 28 27 1 0 27 26 1 0 26 25 1 0 25 24 1 0 24 23 2 0 23 22 1 0 22 21 1 0 21 20 1 0 20 18 1 0 18 19 1 6 18 17 1 0 17 16 1 0 16 15 1 0 15 2 1 0 2 1 2 3 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 5 7 1 0 7 8 1 6 7 9 1 0 9 10 1 0 10 11 1 0 11 12 2 3 12 13 1 0 12 14 1 0 23 29 1 0 29 30 1 6 29 31 1 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 1 0 35 36 1 0 36 39 1 0 36 37 2 0 36 38 2 0 34 40 2 0 40 41 1 0 41 42 2 0 42 43 1 0 29 27 1 0 42 32 1 0 18 24 1 0 7 15 1 0 28 85 1 0 28 86 1 0 28 87 1 0 27 84 1 6 26 82 1 0 26 83 1 0 25 80 1 0 25 81 1 0 22 78 1 0 22 79 1 0 21 76 1 0 21 77 1 0 20 74 1 0 20 75 1 0 19 71 1 0 19 72 1 0 19 73 1 0 17 69 1 0 17 70 1 0 16 67 1 0 16 68 1 0 15 66 1 1 1 44 1 0 1 45 1 0 3 46 1 0 3 47 1 0 4 48 1 0 4 49 1 0 5 50 1 6 6 51 1 0 8 52 1 0 8 53 1 0 8 54 1 0 9 55 1 0 9 56 1 0 10 57 1 0 10 58 1 0 11 59 1 0 13 60 1 0 13 61 1 0 13 62 1 0 14 63 1 0 14 64 1 0 14 65 1 0 30 88 1 0 30 89 1 0 30 90 1 0 31 91 1 0 31 92 1 0 33 93 1 0 39 94 1 0 40 95 1 0 41 96 1 0 43 97 1 0 M END