RDKit 3D 101103 0 0 0 0 0 0 0 0999 V2000 13.1101 2.5807 0.6385 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1824 1.5060 0.5942 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9936 0.5590 -0.5659 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6704 -0.1740 -0.4523 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5604 -1.0399 0.7998 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1430 -1.5863 0.7511 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9667 -2.7024 0.3670 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8309 -0.4651 1.2846 S 0 0 0 0 0 0 0 0 0 0 0 0 8.1894 -1.1133 0.9254 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2181 -1.5445 -0.5452 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0287 -1.8287 -1.1816 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8766 -2.1109 -1.8112 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7556 -2.8276 -2.8850 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5493 -1.5682 -1.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7513 -0.9093 0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7653 0.0023 0.3427 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8117 0.8840 0.6725 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6437 1.4196 1.8054 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7996 1.3607 -0.3558 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2029 2.5420 0.1461 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7263 0.4216 -0.7151 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2062 -0.8969 -1.2581 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 1.1035 -1.9948 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4390 0.2971 0.2204 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3555 -0.6403 -0.3189 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7689 -0.6972 0.5886 P 0 0 1 0 0 5 0 0 0 0 0 0 -3.5626 -1.9097 0.1650 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4600 -0.8070 2.2512 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6410 0.7539 0.3230 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5336 0.5559 -1.1165 P 0 0 2 0 0 5 0 0 0 0 0 0 -4.0394 -0.6754 -1.8662 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4137 1.9002 -2.1207 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1424 0.2257 -0.6579 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3096 0.5645 0.6999 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6689 0.2480 1.2431 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.6523 0.9428 0.6128 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6833 0.0086 0.3766 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.7135 0.4727 -0.4705 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.5760 -0.3334 -1.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4680 0.4225 -1.8081 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.1889 1.7258 -1.6007 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7888 2.8604 -2.0577 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9398 2.8303 -2.8839 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.2847 4.0694 -1.6764 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.1933 4.0381 -0.8391 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6191 2.9498 -0.4012 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.0869 1.7334 -0.7597 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9195 -1.1827 -0.1487 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.6145 -2.3687 -0.1473 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8699 -1.2555 0.9766 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.4766 -1.8422 2.0605 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4753 -2.7740 3.0303 P 0 0 1 0 0 5 0 0 0 0 0 0 -7.5176 -4.1932 2.5523 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8561 -2.2713 2.9461 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0488 -2.7680 4.6472 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1352 2.0905 0.8312 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3234 3.2221 1.5099 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1009 3.1333 -0.3351 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1254 0.9531 1.5555 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1816 1.9769 0.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9685 1.2237 -1.4722 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7754 -0.2174 -0.6103 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8248 0.5419 -0.4333 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5192 -0.7821 -1.3729 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2323 -1.8842 0.7817 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6981 -0.4562 1.7115 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0132 -2.0645 1.4983 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4242 -0.3941 1.1587 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8248 -2.5246 -0.4972 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8298 -0.7803 -1.0605 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7660 -2.2785 -2.2924 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1443 -0.9060 -2.1042 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8644 -2.4571 -1.2122 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7149 -0.3197 -0.1687 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8836 -1.7390 0.7317 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3904 0.2298 1.5588 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3720 1.6598 -1.2471 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8910 3.2504 0.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 -1.5954 -1.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8949 -1.3384 -0.5232 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6086 -0.7899 -2.2666 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5546 1.9350 -1.6769 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4836 0.3443 -2.5459 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9257 1.4987 -2.5854 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9413 1.2512 0.4112 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1347 -0.1159 1.2105 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1204 -1.4223 2.6891 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7045 1.7582 -2.7967 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1050 1.6718 0.7158 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4926 0.1152 1.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6009 0.4002 2.3492 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0360 -0.2788 1.4134 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5435 -1.4039 -1.0906 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6559 2.0470 -2.7606 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1654 3.5272 -3.6182 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8389 5.0551 -0.5731 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4488 -0.9500 -1.1271 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6091 -2.7261 -1.0898 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9547 -1.7037 0.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2342 -3.0363 2.8876 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8839 -2.2142 4.6719 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 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 19 21 1 0 21 22 1 6 21 23 1 0 21 24 1 0 24 25 1 0 26 25 1 6 26 28 1 0 26 27 2 0 26 29 1 0 30 29 1 1 30 32 1 0 30 31 2 0 30 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 48 1 0 48 49 1 0 48 50 1 0 50 51 1 0 52 51 1 6 52 54 1 0 52 55 1 0 52 53 2 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 47 2 0 47 46 1 0 46 45 2 0 45 44 1 0 44 42 2 0 42 43 1 0 50 35 1 0 47 38 1 0 42 41 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 9 67 1 0 9 68 1 0 10 69 1 0 10 70 1 0 11 71 1 0 14 72 1 0 14 73 1 0 15 74 1 0 15 75 1 0 16 76 1 0 19 77 1 6 20 78 1 0 22 79 1 0 22 80 1 0 22 81 1 0 23 82 1 0 23 83 1 0 23 84 1 0 24 85 1 0 24 86 1 0 28 87 1 0 32 88 1 0 34 89 1 0 34 90 1 0 35 91 1 1 37 92 1 1 48 97 1 6 49 98 1 0 50 99 1 6 54100 1 0 55101 1 0 39 93 1 0 45 96 1 0 43 94 1 0 43 95 1 0 M END