L8JBI5 -OEChem-05022323163D 44 46 0 1 0 0 0 0 0999 V2000 4.9594 -0.5576 -0.2073 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9964 -1.8982 0.5672 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4037 -0.4007 -0.3033 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6643 0.8956 -0.0541 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9733 -0.4089 -0.3716 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2357 -0.8141 -1.2942 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2070 0.1590 -1.4197 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6173 1.4282 0.1994 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8047 2.3145 -0.1625 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7225 0.0825 -0.5086 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1164 1.5643 0.0458 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0803 0.2088 -0.6491 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6805 -0.8632 -0.0105 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9458 1.7627 0.8474 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3200 -0.3540 -0.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1708 -1.0249 0.0015 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1259 -1.0417 -0.0573 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7605 2.0649 2.1076 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5110 3.0572 0.1554 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8467 1.1755 -0.6692 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2164 -2.2375 0.6704 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1879 -2.2550 0.6088 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9900 -2.8577 0.9762 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6146 1.2764 1.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6879 1.9506 -0.0512 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7926 3.2275 0.4428 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7234 2.6218 -1.2124 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6220 0.1871 -1.5963 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9584 2.1595 -0.3225 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2635 1.4112 1.1221 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9863 -0.3568 -0.4096 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0381 0.3208 -1.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0402 1.2490 1.1815 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3055 0.4738 -0.8124 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6696 2.6314 1.8779 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0628 1.1383 2.6083 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1698 2.6538 2.8174 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3706 3.6617 -0.1542 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8980 3.6669 0.8277 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9159 2.8404 -0.7387 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3896 2.1016 -0.5442 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1028 -2.7626 0.9863 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1336 -2.7321 0.8447 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9982 -3.8089 1.5001 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 12 1 0 0 0 0 2 13 2 0 0 0 0 3 13 1 0 0 0 0 3 16 1 0 0 0 0 3 34 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 4 20 1 0 0 0 0 5 16 1 0 0 0 0 5 17 2 0 0 0 0 6 7 1 0 0 0 0 6 15 2 0 0 0 0 7 20 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 11 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 13 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 14 18 1 0 0 0 0 14 19 1 0 0 0 0 14 33 1 0 0 0 0 15 17 1 0 0 0 0 16 21 2 0 0 0 0 17 22 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 21 23 1 0 0 0 0 21 42 1 0 0 0 0 22 23 2 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 M END $$$$