B1QGR2 -OEChem-04022106123D 38 39 0 0 0 0 0 0 0999 V2000 1.6134 1.5855 1.5126 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4331 0.5425 2.1428 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3574 -0.9602 0.7389 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2459 1.3535 -0.0812 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9493 -0.6095 0.6293 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8361 -1.0984 1.5101 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6795 -1.3528 -0.2302 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2419 0.8683 0.7356 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7139 -0.7332 -1.0441 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9703 0.5790 -0.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5398 -2.8345 -0.4455 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6008 -0.1233 0.2215 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4178 -0.1372 1.1201 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0298 1.0556 -0.3881 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0180 1.2766 -1.7619 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2850 -1.3168 -0.0092 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1430 1.0410 -1.2285 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3155 2.3477 -0.1583 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3982 -1.3313 -0.8496 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8273 -0.1525 -1.4592 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7776 -0.5473 2.4537 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9478 -2.1540 1.7725 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2765 -1.3619 -1.7277 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4430 -1.5048 -0.1154 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4660 2.3444 -0.0351 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4507 -3.3539 -0.1283 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3697 -3.0531 -1.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7026 -3.2728 0.1029 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5666 2.0597 -2.3801 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5456 0.5875 -2.4298 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7622 1.7394 -1.1052 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9656 -2.2428 0.4619 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4915 1.9508 -1.7102 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5022 2.7120 0.8569 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2372 2.2319 -0.3113 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6508 3.1235 -0.8555 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9317 -2.2603 -1.0283 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6945 -0.1638 -2.1129 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 13 2 0 0 0 0 3 6 1 0 0 0 0 3 13 1 0 0 0 0 3 24 1 0 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 9 10 2 0 0 0 0 9 23 1 0 0 0 0 10 15 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 16 2 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 19 1 0 0 0 0 16 32 1 0 0 0 0 17 20 1 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 M END $$$$