RDKit 3D 102104 0 0 0 0 0 0 0 0999 V2000 15.2963 2.0457 1.1533 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8288 0.6328 1.0582 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3544 0.5737 0.7009 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0789 1.2409 -0.6178 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4534 2.5923 -0.5652 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6472 1.1098 -1.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6764 1.7133 -0.0967 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0755 2.3595 0.8642 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9067 1.5299 -0.3160 S 0 0 0 0 0 0 0 0 0 0 0 0 8.6284 0.1012 -1.4352 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8970 -1.1606 -0.6239 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8686 -1.1818 0.4313 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5136 -1.3468 0.0791 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1568 -1.5007 -1.1331 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4849 -1.3440 1.1576 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2211 -2.0000 0.6949 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5992 -1.4082 -0.4464 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4138 -1.9218 -1.0358 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8943 -2.9501 -0.5188 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7313 -1.3549 -2.2150 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2147 -0.1142 -2.5979 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2202 -1.3919 -2.1117 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3467 -0.7838 -3.3747 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2216 -2.8650 -2.1033 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3062 -0.7187 -0.8746 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7075 -0.8305 -0.8886 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4040 -0.1505 0.4980 P 0 0 1 0 0 5 0 0 0 0 0 0 -2.1584 -1.0867 1.6758 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6256 1.3095 0.8589 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0341 0.1389 0.2728 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0334 -0.9102 1.1381 P 0 0 1 0 0 5 0 0 0 0 0 0 -5.6669 -1.8513 0.1137 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1114 -1.8261 2.2222 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2231 -0.0401 1.9847 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1056 0.4508 1.0268 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2298 1.2544 1.6588 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.0286 1.6904 0.6275 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2540 1.0546 0.7159 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.8411 0.7694 -0.5576 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.6145 -0.2766 -0.8424 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0006 -0.2363 -2.1193 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.4665 0.8688 -2.6963 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5608 1.3571 -3.9747 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3315 0.6730 -4.9604 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.9043 2.4972 -4.2448 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.1832 3.1251 -3.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0951 2.6364 -2.0197 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.7403 1.4797 -1.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0623 -0.1820 1.5690 C 0 0 2 0 0 0 0 0 0 0 0 0 -11.2332 -0.5184 2.2446 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0111 0.3507 2.5492 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.7291 1.0099 3.5443 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5539 0.3056 5.0644 P 0 0 1 0 0 5 0 0 0 0 0 0 -9.2171 -1.1820 4.9335 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4631 1.1088 6.0564 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.0742 0.3535 5.8275 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5698 2.7434 1.5804 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6942 2.4111 0.1636 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1988 2.0483 1.8284 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9577 0.0464 1.9969 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3823 0.0771 0.2531 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1000 -0.5091 0.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8023 0.9901 1.5339 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6891 0.7067 -1.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8677 3.0843 -1.2035 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4467 0.0542 -1.2469 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5186 1.6941 -2.0191 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3632 0.1832 -2.2432 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6254 0.1206 -1.8474 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8620 -1.1006 -0.1429 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7615 -2.0350 -1.2817 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1500 -1.0764 1.4169 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2611 -0.2598 1.3567 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8381 -1.7591 2.1077 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4229 -3.0953 0.5847 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4595 -1.9468 1.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0132 -0.5695 -0.8808 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9823 -2.1035 -3.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8195 -0.2203 -3.3993 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0684 0.2263 -3.5536 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0893 -1.3982 -4.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4552 -0.7009 -3.3401 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5134 -3.1412 -1.0539 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1215 -3.0257 -2.7238 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6101 -3.5374 -2.3872 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0219 0.3754 -0.8655 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 -1.1708 0.0484 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2255 1.8769 1.4018 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7324 -2.5143 2.6041 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5212 -0.4031 0.4569 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5438 1.0914 0.3092 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7249 2.0810 2.2002 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9161 1.7280 1.3415 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8932 -1.0530 -0.1361 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2831 0.2662 -4.7413 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9697 0.5605 -5.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6929 4.0332 -3.5912 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6537 -1.0054 0.9883 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3229 -1.5173 2.1671 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4329 -0.4928 2.9804 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9329 1.8061 5.6227 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1191 1.2312 6.3166 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 4 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 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 20 22 1 0 22 23 1 6 22 24 1 0 22 25 1 0 25 26 1 0 27 26 1 6 27 29 1 0 27 28 2 0 27 30 1 0 31 30 1 6 31 33 1 0 31 32 2 0 31 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 49 1 0 49 50 1 0 49 51 1 0 51 52 1 0 53 52 1 6 53 55 1 0 53 56 1 0 53 54 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 48 2 0 48 47 1 0 47 46 2 0 46 45 1 0 45 43 2 0 43 44 1 0 51 36 1 0 48 39 1 0 43 42 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 4 64 1 6 5 65 1 0 6 66 1 0 6 67 1 0 10 68 1 0 10 69 1 0 11 70 1 0 11 71 1 0 12 72 1 0 15 73 1 0 15 74 1 0 16 75 1 0 16 76 1 0 17 77 1 0 20 78 1 6 21 79 1 0 23 80 1 0 23 81 1 0 23 82 1 0 24 83 1 0 24 84 1 0 24 85 1 0 25 86 1 0 25 87 1 0 29 88 1 0 33 89 1 0 35 90 1 0 35 91 1 0 36 92 1 1 38 93 1 1 49 98 1 6 50 99 1 0 51100 1 1 55101 1 0 56102 1 0 40 94 1 0 46 97 1 0 44 95 1 0 44 96 1 0 M END