B3DPN5 -OEChem-04042106083D 48 52 0 0 0 0 0 0 0999 V2000 5.1489 2.3000 0.0304 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8812 2.3041 0.0444 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3981 -1.0418 -0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8271 -0.3616 0.0055 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2364 -2.6980 -0.0102 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1217 0.2897 0.0136 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4145 0.3078 0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4848 -0.4291 -1.2617 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4919 -0.4197 1.2583 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4934 1.7580 -0.0098 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9462 -0.4235 -1.2541 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9532 -0.4143 1.2591 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9547 1.7576 -0.0053 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9948 -1.1457 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9961 1.0211 -1.2624 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0032 1.0304 1.2452 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8836 0.3112 0.0057 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9486 -1.3823 -0.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1256 -0.7280 0.0055 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5531 -2.9927 -0.0095 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5519 -2.0406 -0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5248 0.0040 0.1281 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9257 1.6683 0.0217 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1694 1.3251 -0.1995 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8484 -0.9487 -2.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8605 -0.9328 2.1536 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8625 2.7897 -0.0147 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6016 -1.4626 -1.3025 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5771 0.0700 -2.1627 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6070 -1.4526 1.3158 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5892 0.0857 2.1662 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5889 2.3030 0.8742 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5840 2.2968 -0.8866 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0914 -1.1738 -0.0035 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6498 -2.1870 0.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6520 1.5396 -2.1657 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0927 1.0314 -1.2878 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1000 1.0408 1.2643 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6643 1.5556 2.1466 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5094 0.8478 -0.8752 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5135 0.8377 0.8945 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0378 -1.8267 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7905 -4.0513 -0.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5834 -2.3632 0.0077 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8683 -0.7641 -0.5704 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7393 -0.2970 1.1595 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0376 1.5317 0.4328 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4724 1.3885 -1.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 23 2 0 0 0 0 3 17 1 0 0 0 0 3 18 1 0 0 0 0 3 42 1 0 0 0 0 4 18 1 0 0 0 0 4 19 2 0 0 0 0 5 18 2 0 0 0 0 5 20 1 0 0 0 0 6 19 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 17 1 0 0 0 0 8 11 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 8 25 1 0 0 0 0 9 12 1 0 0 0 0 9 14 1 0 0 0 0 9 16 1 0 0 0 0 9 26 1 0 0 0 0 10 13 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 19 21 1 0 0 0 0 20 21 2 0 0 0 0 20 43 1 0 0 0 0 21 44 1 0 0 0 0 22 24 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 M END $$$$