RDKit 3D 131131 0 0 0 0 0 0 0 0999 V2000 -17.5267 4.2369 1.2433 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1371 4.1040 1.7924 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0658 4.5169 0.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7117 4.3489 1.4368 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5727 4.7274 0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5018 3.9158 -0.7327 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3538 2.4835 -0.4793 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3211 1.7827 -0.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1971 2.3258 -1.6723 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8709 2.1461 -0.9001 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6110 0.6861 -0.6671 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3739 0.4475 0.1239 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1743 1.0210 -0.5781 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9165 0.7705 0.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6895 1.3338 -0.3893 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2903 0.8426 -1.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9839 -0.6009 -1.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8599 -1.0353 -1.0197 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2828 -0.2962 -0.1928 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3745 -2.3494 -1.1082 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3223 -2.7510 -0.2983 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9728 -2.9433 -1.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9388 -3.3220 -0.1234 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2678 -3.5290 -0.4589 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5882 -3.3657 -1.6634 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2814 -3.9285 0.5801 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6242 -2.7809 1.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1869 -1.5802 0.8146 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4638 -1.7492 0.0752 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6020 -2.2212 0.9342 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8909 -2.3594 0.1656 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3192 -1.0289 -0.4395 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5096 -0.0529 0.6448 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6318 0.5487 0.8734 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8616 0.3623 0.1099 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2180 1.7528 -0.4572 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3514 1.8289 -1.2254 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4167 2.3719 0.0727 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5615 3.8519 0.2658 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4018 4.5777 -1.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5440 6.0750 -0.8811 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8844 6.4741 -0.3349 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0405 6.0589 -1.2035 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6014 -3.9461 0.5731 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6566 -3.7074 1.4226 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9567 -5.0570 2.3894 P 0 0 1 0 0 5 0 0 0 0 0 0 -0.8872 -5.1371 3.4643 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4383 -4.8053 3.1777 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9864 -6.4271 1.4319 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8450 -7.1901 1.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9126 -8.4161 0.8347 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2356 -9.2580 1.0694 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0145 -8.0030 -0.5772 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9458 -7.2612 -0.9745 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0644 -8.4461 -1.4633 O 0 0 0 0 0 0 0 0 0 0 0 0 -18.0284 5.1542 1.6137 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.5546 4.1949 0.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.1199 3.3604 1.6003 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0424 4.7364 2.7053 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9256 3.0571 2.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1843 5.5782 0.5118 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1522 3.9092 -0.1112 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6810 4.9918 2.3257 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5564 3.3006 1.8076 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6356 4.5374 1.1126 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6530 5.7909 0.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4658 4.1571 -1.2671 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7143 4.3729 -1.3382 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1500 1.9814 0.0927 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3544 0.7049 -0.6331 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0677 1.6189 -2.5579 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3051 3.3062 -2.1073 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0468 2.5368 -1.5516 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8864 2.6911 0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5199 0.1607 -1.6635 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4546 0.1867 -0.1386 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2110 -0.6598 0.1532 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4312 0.8523 1.1593 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1202 0.5597 -1.5834 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3473 2.1061 -0.7187 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0579 1.2581 1.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8654 -0.3177 0.4259 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8610 1.2101 0.3323 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8139 2.4470 -0.4756 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9742 1.1820 -2.5468 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3290 1.3876 -1.9783 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8624 -1.2665 -1.7409 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6940 -0.7463 -2.9581 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0623 -1.8998 0.3912 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8837 -3.7662 -1.8113 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2345 -1.9761 -1.5176 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1418 -4.3537 0.0604 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8636 -4.7352 1.2336 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2536 -3.1841 2.2964 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6560 -2.4654 1.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2139 -0.7634 1.5694 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4236 -1.2362 0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6754 -0.8173 -0.4618 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 -2.5222 -0.7276 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6923 -1.5714 1.8211 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3629 -3.2344 1.3299 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8017 -3.1671 -0.5612 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6806 -2.6344 0.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5651 -0.6602 -1.1692 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2167 -1.2477 -1.0263 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6146 0.1555 1.2836 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6590 1.2586 1.7115 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6715 0.0712 0.8518 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8558 -0.3478 -0.7115 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3398 2.3150 -0.8222 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0410 1.7565 0.7661 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7713 4.1600 1.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5164 4.0570 0.7592 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3694 4.3943 -1.4089 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0934 4.1669 -1.7903 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4731 6.5179 -1.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7675 6.5103 -0.2516 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0215 6.1397 0.7279 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8954 7.5869 -0.2807 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8512 6.8436 -1.2278 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7280 5.9271 -2.2606 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5632 5.1490 -0.8029 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3011 -4.0743 1.2358 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6700 -4.8891 -0.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6990 -5.6612 3.5909 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0951 -6.6418 1.5082 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8807 -7.4852 2.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8298 -8.9926 1.0835 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6938 -9.5082 0.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9410 -8.7667 1.6665 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3455 -8.7910 -2.3732 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 21 44 1 0 44 45 1 0 46 45 1 6 46 47 2 0 46 48 1 0 46 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 51 53 1 0 53 54 2 0 53 55 1 0 38 36 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 3 62 1 0 4 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 9 71 1 0 9 72 1 0 10 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 12 78 1 0 13 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 16 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 21 89 1 1 22 90 1 0 22 91 1 0 26 92 1 0 26 93 1 0 27 94 1 0 27 95 1 0 28 96 1 0 28 97 1 0 29 98 1 0 29 99 1 0 30100 1 0 30101 1 0 31102 1 0 31103 1 0 32104 1 0 32105 1 0 33106 1 0 34107 1 0 35108 1 0 35109 1 0 36110 1 6 38111 1 1 39112 1 0 39113 1 0 40114 1 0 40115 1 0 41116 1 0 41117 1 0 42118 1 0 42119 1 0 43120 1 0 43121 1 0 43122 1 0 44123 1 0 44124 1 0 48125 1 0 50126 1 0 50127 1 0 51128 1 1 52129 1 0 52130 1 0 55131 1 0 M END