B9WXG6 -OEChem-04042107323D 38 40 0 1 0 0 0 0 0999 V2000 -1.5521 0.8477 -1.2749 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.8648 -1.5569 -0.6177 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8391 2.1608 -1.8206 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7857 -0.3461 -2.0651 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0051 -2.5630 -0.2886 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4329 -1.2864 0.5637 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3177 0.6826 0.2337 N 0 0 1 0 0 0 0 0 0 0 0 0 4.0977 0.6615 0.3747 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2701 -0.6564 0.9050 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9181 -0.3508 2.3631 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0653 1.7365 1.2539 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4192 1.0664 2.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6302 -1.3245 0.7548 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1427 0.8372 -0.7746 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8133 -0.3754 -0.7034 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7613 2.0557 -0.4641 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1315 -0.3154 -0.3078 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7685 0.8813 0.0059 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1019 2.0866 -0.0647 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1245 -2.1833 -0.8429 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1232 -1.3730 -0.1266 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4089 -0.6852 0.3251 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5073 -1.3058 0.4691 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8283 -0.3729 2.4897 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3518 -1.0604 3.0738 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6983 2.6087 1.0689 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0252 2.0510 1.3016 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5051 1.0681 2.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9537 1.5583 3.4296 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4264 -0.6875 1.1587 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6382 -2.2779 1.2962 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3509 -1.3233 -0.9473 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2223 2.9969 -0.5306 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5885 3.0248 0.1761 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1623 -3.1560 -0.3432 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2433 -2.3368 -1.9186 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9381 -1.5435 -0.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7354 1.4025 0.6404 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 7 1 0 0 0 0 1 14 1 0 0 0 0 2 13 1 0 0 0 0 2 20 1 0 0 0 0 5 21 2 0 0 0 0 6 22 2 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 8 18 1 0 0 0 0 8 22 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 23 1 0 0 0 0 10 12 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 32 1 0 0 0 0 16 19 2 0 0 0 0 16 33 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 M END $$$$