B49AQR -OEChem-04042104503D 51 53 0 0 0 0 0 0 0999 V2000 -3.9575 0.4355 1.3705 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.0442 -1.4506 -0.7233 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8803 -4.7355 0.4677 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0708 -2.6512 -0.2619 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4868 -1.1615 -0.0558 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2967 2.8588 0.0660 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8149 1.9797 -1.1789 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5435 2.3642 -1.1579 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1210 -2.7962 -1.2834 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6645 -2.3797 1.0577 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9759 -1.5318 -1.3675 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5100 -1.1067 1.0221 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7642 -3.8507 -0.2113 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7759 -0.7850 0.1285 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1104 -3.5412 0.4237 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7909 1.9233 0.3567 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3537 2.2426 0.0499 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0078 3.3679 0.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4001 2.8048 0.8608 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1109 2.3555 0.2217 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3034 1.3540 1.1736 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9403 2.4224 -0.8978 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1545 0.4865 -0.1139 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3251 0.4196 1.0057 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9622 1.4880 -1.0654 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2475 -0.5126 -0.2924 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7607 -3.6596 -1.0569 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6677 -2.9682 -2.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2915 -3.2233 1.3766 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1091 -2.2397 1.8196 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3522 -0.6959 -1.7086 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7543 -1.6555 -2.1237 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9666 -1.0081 2.0104 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8644 -0.2382 0.8498 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9680 -4.2200 -1.2259 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2677 -4.6826 0.3057 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0154 -3.1771 1.4501 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6590 -2.7975 -0.1641 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2279 2.7607 0.9116 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3635 1.8229 -0.5712 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7388 -4.5073 0.8631 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9888 3.7123 1.4461 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1778 4.2547 -0.2174 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 3.1534 1.8838 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6621 1.2910 2.0488 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8004 3.1966 -1.6475 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4619 -0.3579 1.7527 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6011 1.5488 -1.9424 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9096 -1.3267 -0.9413 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1327 -0.0480 -0.7399 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5592 -0.9392 0.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 16 1 0 0 0 0 2 14 2 0 0 0 0 3 15 1 0 0 0 0 3 41 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 13 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 14 1 0 0 0 0 6 8 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 8 2 0 0 0 0 7 17 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 12 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 15 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 19 2 0 0 0 0 18 20 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 24 1 0 0 0 0 21 45 1 0 0 0 0 22 25 2 0 0 0 0 22 46 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 24 47 1 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 M END $$$$