RDKit 3D 92 94 0 0 0 0 0 0 0 0999 V2000 15.0661 0.4462 0.1115 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5271 0.4615 0.0537 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0739 0.4454 -1.3504 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9145 0.2921 -2.2430 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3986 0.6376 -1.8422 S 0 0 0 0 0 0 0 0 0 0 0 0 10.2265 0.8657 -0.5307 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9521 -0.3100 0.3414 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4301 -1.4587 -0.3415 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2019 -1.6221 -0.7093 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9071 -2.8130 -1.3626 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1376 -0.6459 -0.4801 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9348 -1.2162 0.2733 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9352 -0.2232 0.4837 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6692 -0.3372 0.3991 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0987 -1.5437 0.0653 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8070 0.8315 0.6600 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9232 0.5939 1.7074 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0528 1.3166 -0.5593 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9556 1.5713 -1.7241 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3643 2.6358 -0.1462 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9191 0.3992 -0.9467 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0587 0.3622 0.1478 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2897 -0.5925 -0.0627 P 0 0 1 0 0 5 0 0 0 0 0 0 -1.0800 -2.0211 0.3884 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5203 0.0507 0.9398 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8955 -0.5607 -1.6414 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5229 -0.9841 -1.6265 P 0 0 1 0 0 5 0 0 0 0 0 0 -4.1660 -0.5058 -2.9207 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6135 -2.6729 -1.5583 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3816 -0.2747 -0.3648 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5803 0.2965 -0.7827 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2610 0.8935 0.4070 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.4741 1.4932 0.0949 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2637 1.4854 1.2091 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.5988 0.9768 0.9578 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.5642 0.6673 1.8333 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6641 0.2233 1.1609 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.4043 0.2484 -0.1404 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1618 -0.0916 -1.2498 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4811 -0.5724 -1.1008 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.5906 0.0547 -2.4581 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.3284 0.5134 -2.6126 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6134 0.8368 -1.5225 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.1030 0.7233 -0.2681 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6099 0.6676 2.2825 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.0292 1.5525 3.1889 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5749 -0.1126 1.4927 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.4675 -0.4288 2.2663 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3219 -2.1116 2.2988 P 0 0 1 0 0 5 0 0 0 0 0 0 -6.3807 -2.7662 1.4242 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8176 -2.6405 1.7413 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5648 -2.7028 3.8787 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4351 1.2128 0.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4126 0.7882 -0.9023 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4570 -0.5290 0.3978 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2069 1.3950 0.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1735 -0.4417 0.6097 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2832 1.3555 -0.9102 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6453 1.6657 0.1618 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2657 0.0265 1.1568 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8769 -0.6222 0.8465 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2012 -3.6694 -0.8729 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5092 0.2107 0.1371 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7433 -0.2356 -1.4174 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5045 -2.0084 -0.3896 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2645 -1.7276 1.1976 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3333 -2.1027 -0.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 1.6916 1.0403 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2580 -0.1609 2.2672 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0828 0.6765 -2.3769 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9152 2.0126 -1.4011 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4474 2.3305 -2.3875 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7485 2.9260 -1.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7163 2.3958 0.7185 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1198 3.4022 0.0909 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4176 0.7816 -1.8579 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3508 -0.6018 -1.1459 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1277 0.6079 1.6734 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4922 -3.0793 -2.4569 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4240 1.1161 -1.5171 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2414 -0.4527 -1.2969 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5625 1.6316 0.8605 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4024 2.5523 1.5416 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5040 0.7467 2.8948 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7582 -1.4324 -1.6049 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1787 -0.0962 -0.5051 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9341 0.6040 -3.6332 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3306 -0.0127 2.7817 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6759 2.3553 2.7437 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0755 -1.0085 1.0748 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8468 -3.6275 1.7576 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4937 -3.0110 4.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 16 17 1 0 16 14 1 0 14 15 1 0 14 13 2 0 13 12 1 0 12 11 1 0 11 9 1 0 9 10 1 0 9 8 2 0 8 7 1 0 7 6 1 0 6 5 1 0 5 3 1 0 3 4 2 0 3 2 1 0 2 1 1 0 16 18 1 0 18 19 1 6 18 20 1 0 18 21 1 0 21 22 1 0 23 22 1 6 23 25 1 0 23 24 2 0 23 26 1 0 27 26 1 6 27 29 1 0 27 28 2 0 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 2 0 39 40 1 0 39 41 1 0 41 42 2 0 42 43 1 0 43 44 2 0 34 45 1 0 45 46 1 0 45 47 1 0 47 48 1 0 49 48 1 1 49 51 1 0 49 52 1 0 49 50 2 0 47 32 1 0 44 35 1 0 44 38 1 0 16 68 1 1 17 69 1 0 15 67 1 0 12 65 1 0 12 66 1 0 11 63 1 0 11 64 1 0 10 62 1 0 7 60 1 0 7 61 1 0 6 58 1 0 6 59 1 0 2 56 1 0 2 57 1 0 1 53 1 0 1 54 1 0 1 55 1 0 19 70 1 0 19 71 1 0 19 72 1 0 20 73 1 0 20 74 1 0 20 75 1 0 21 76 1 0 21 77 1 0 25 78 1 0 29 79 1 0 31 80 1 0 31 81 1 0 32 82 1 1 34 83 1 1 36 84 1 0 40 85 1 0 40 86 1 0 42 87 1 0 45 88 1 1 46 89 1 0 47 90 1 6 51 91 1 0 52 92 1 0 M END