BW5XC9 -OEChem-04042106333D 52 53 0 0 0 0 0 0 0999 V2000 -4.7136 3.0007 0.3192 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7992 2.3522 -1.5646 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.7980 2.3501 -1.5670 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7136 3.0007 0.3229 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0006 1.6176 1.8974 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4066 -1.6855 -0.6493 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4062 -1.6852 -0.6479 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3743 2.1002 -0.4830 N 0 3 0 0 0 0 0 0 0 0 0 0 4.3746 2.1010 -0.4803 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.1751 -1.1305 -0.2435 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1749 -1.1299 -0.2415 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7395 -0.0333 0.5611 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7384 -0.0332 0.5612 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6535 0.7439 -0.1507 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6531 0.7444 -0.1491 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8711 0.1953 -0.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8713 0.1961 -0.5504 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2611 -1.9077 0.4682 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2603 -1.9076 0.4688 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0433 -1.3591 0.8704 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0421 -1.3592 0.8703 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4418 0.5057 1.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4539 0.5003 1.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3666 -0.8844 -1.3826 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7315 -3.0617 -0.3316 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7300 -3.0621 -0.3322 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3604 -0.8883 -1.3929 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2483 0.0285 0.6223 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2473 0.0286 0.6222 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0006 0.6627 1.1305 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5596 0.8286 -1.1059 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5605 0.8299 -1.1019 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4508 -2.9429 0.7343 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4496 -2.9430 0.7341 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3469 -1.9811 1.4281 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3456 -1.9820 1.4271 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5120 1.3624 1.6709 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5210 1.3570 1.6671 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2706 -1.4553 -1.6226 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6925 -0.0195 -0.7942 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9514 -0.5445 -2.3379 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0123 -3.7532 -0.7846 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7625 -3.2212 0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7181 -3.3440 -0.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7563 -3.2245 0.7511 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0129 -3.7525 -0.7901 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7186 -3.3430 -0.7124 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9382 -0.5544 -2.3473 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6901 -0.0196 -0.8121 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2631 -1.4601 -1.6356 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1678 -0.8156 -0.0548 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 -0.8154 -0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 2 9 1 0 0 0 0 3 8 2 0 0 0 0 4 9 2 0 0 0 0 5 30 2 0 0 0 0 6 10 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 11 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 14 1 0 0 0 0 9 15 1 0 0 0 0 10 16 2 0 0 0 0 10 18 1 0 0 0 0 11 17 2 0 0 0 0 11 19 1 0 0 0 0 12 14 2 0 0 0 0 12 20 1 0 0 0 0 12 22 1 0 0 0 0 13 15 2 0 0 0 0 13 21 1 0 0 0 0 13 23 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 16 31 1 0 0 0 0 17 32 1 0 0 0 0 18 20 2 0 0 0 0 18 33 1 0 0 0 0 19 21 2 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 22 28 2 0 0 0 0 22 37 1 0 0 0 0 23 29 2 0 0 0 0 23 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 28 30 1 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 29 52 1 0 0 0 0 M CHG 4 1 -1 2 -1 8 1 9 1 M END $$$$