RDKit 3D 101107 0 0 0 0 0 0 0 0999 V2000 5.0630 5.6417 -0.2865 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9676 4.1283 -0.3718 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4058 3.6110 -1.6423 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3918 3.4104 0.6512 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4213 1.9834 0.8517 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9428 1.0604 -0.1987 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8390 0.8476 -1.2517 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0424 1.5557 -1.3393 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4644 -0.0815 -2.1845 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2955 -0.7686 -2.1042 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3998 -0.5651 -1.0608 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2902 -1.4230 -1.0098 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1274 -2.1764 -2.0701 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2108 -1.7446 -0.0349 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0053 -2.1197 -0.8993 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8722 -1.0690 -1.3687 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3454 -1.0252 -2.6733 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8225 -1.7103 -3.7386 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4363 -0.2130 -3.0359 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0711 0.5664 -2.1417 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6188 0.5618 -0.8199 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5529 -0.2327 -0.4453 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1264 -0.2286 0.8371 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3492 1.4529 0.0784 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7554 1.8457 1.1050 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7399 1.9179 -0.1456 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.9043 3.3935 -0.2443 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4651 4.1464 0.9657 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3278 4.9307 1.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7557 5.0617 1.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8919 5.6575 2.8356 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6470 1.2937 0.7665 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7611 -0.0452 0.3101 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0216 -1.1784 1.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0945 -2.4126 0.4069 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3576 -3.5416 1.1711 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9007 -2.4304 -0.9465 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6411 -1.2953 -1.6834 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5663 -0.0597 -1.0488 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2758 1.3376 -1.4618 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.3362 2.0038 -1.9568 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1851 1.4003 -2.4097 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0522 -3.4120 -1.5579 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4471 -4.4650 -0.7977 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5444 -5.8056 -1.3995 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7689 -4.1730 0.6182 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5504 -2.9377 0.8202 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8652 -3.0997 1.3839 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4850 -2.1278 2.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6382 -2.3175 2.8826 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2940 -3.5103 2.8182 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4963 -3.7317 3.5253 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7470 -4.5003 2.0435 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5776 -4.2797 1.3614 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1369 -5.3504 0.6087 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7613 0.3699 -0.1246 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9164 0.6571 0.9205 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5239 6.0632 -1.1989 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7231 5.9126 0.5781 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0385 6.0029 -0.2194 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8279 4.4309 -2.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2418 3.3948 -2.3455 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6807 2.8206 -1.4985 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8032 4.0084 1.5152 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5466 1.7140 1.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0239 1.6612 1.8608 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6339 1.3283 -2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1520 -0.2730 -3.0442 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1207 -1.4855 -2.9166 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9770 -0.8388 0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6790 -2.5014 0.1047 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0199 -2.2132 -3.8084 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7914 -0.1927 -4.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4056 0.2196 1.6585 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3250 3.6994 -1.1689 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9548 3.6145 -0.5248 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4535 4.0373 1.2728 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7648 5.4000 0.0885 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3323 4.1571 1.3171 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2147 5.8941 1.7076 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8751 6.1246 2.7003 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9661 5.0531 3.7645 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5994 6.5172 2.9694 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1726 -1.1623 2.1339 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2923 -3.9014 1.3753 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9557 -3.4032 -1.4352 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4808 -1.3172 -2.7566 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1241 1.3778 -2.0126 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2142 -3.6443 -2.5378 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4658 -6.1649 -1.7138 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1198 -5.6819 -2.3481 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0066 -6.5451 -0.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1891 -5.0634 1.0826 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2795 -4.1332 1.1156 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9554 -2.5413 1.8405 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9460 -1.2019 2.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0486 -1.5175 3.4802 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5012 -4.1053 4.4741 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2789 -5.4400 2.0125 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5826 -6.2444 0.5407 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1292 1.3364 1.6126 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 47 1 0 47 46 1 0 46 44 1 0 44 45 1 0 44 43 2 0 43 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 2 0 20 42 1 0 42 40 1 0 40 41 1 6 40 39 1 0 39 38 2 0 38 37 1 0 37 35 2 0 35 36 1 0 35 34 1 0 34 33 2 0 33 32 1 0 32 26 1 0 26 27 1 6 27 28 1 0 28 29 2 3 29 30 1 0 29 31 1 0 26 24 1 0 24 25 2 0 24 21 1 0 21 22 2 0 22 23 1 0 47 48 1 0 48 49 2 0 49 50 1 0 50 51 2 0 51 52 1 0 51 53 1 0 53 54 2 0 54 55 1 0 11 56 2 0 56 57 1 0 56 6 1 0 15 14 1 0 22 16 1 0 54 48 1 0 21 20 1 0 26 40 1 0 33 39 1 0 1 58 1 0 1 59 1 0 1 60 1 0 3 61 1 0 3 62 1 0 3 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 8 67 1 0 9 68 1 0 10 69 1 0 14 70 1 1 47 95 1 1 46 93 1 0 46 94 1 0 45 90 1 0 45 91 1 0 45 92 1 0 43 89 1 0 15 71 1 1 18 72 1 0 19 73 1 0 41 88 1 0 38 87 1 0 37 86 1 0 36 85 1 0 34 84 1 0 27 75 1 0 27 76 1 0 28 77 1 0 30 78 1 0 30 79 1 0 30 80 1 0 31 81 1 0 31 82 1 0 31 83 1 0 23 74 1 0 49 96 1 0 50 97 1 0 52 98 1 0 53 99 1 0 55100 1 0 57101 1 0 M END