BSR3D5 -OEChem-04022103233D 29 31 0 1 0 0 0 0 0999 V2000 -4.1299 -2.4346 0.0145 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4663 1.7757 -0.2625 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9448 -1.0710 -0.5181 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9336 -0.3827 0.3513 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0641 1.9023 -0.1073 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6528 0.2518 0.7458 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7855 -0.8295 -1.2659 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7174 0.4866 -0.8424 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5742 -0.3747 -0.3506 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4356 0.7081 -0.1662 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0733 -0.0422 -0.4541 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8793 0.4214 -0.0309 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3358 -0.8959 -0.0734 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7852 1.4682 0.1398 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7849 -0.3986 0.6518 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6981 -1.1666 0.0551 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1476 1.1976 0.2679 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6041 -0.1198 0.2256 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8859 -0.4962 1.6195 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6696 0.6098 -1.9324 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7748 -0.8457 0.6174 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2930 -1.1271 -1.0901 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6618 -1.7376 -0.1959 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4556 2.5030 0.1759 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8433 2.0219 0.4004 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0525 -1.5379 1.9092 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8120 -0.1032 1.1898 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6597 0.0769 2.5237 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4120 0.4571 0.4614 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 5 1 0 0 0 0 2 8 1 0 0 0 0 3 7 1 0 0 0 0 3 15 1 0 0 0 0 4 18 1 0 0 0 0 4 29 1 0 0 0 0 5 10 2 0 0 0 0 6 11 1 0 0 0 0 6 15 2 0 0 0 0 7 11 2 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 20 1 0 0 0 0 9 10 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 16 1 0 0 0 0 13 23 1 0 0 0 0 14 17 2 0 0 0 0 14 24 1 0 0 0 0 15 19 1 0 0 0 0 16 18 2 0 0 0 0 17 18 1 0 0 0 0 17 25 1 0 0 0 0 19 26 1 0 0 0 0 19 27 1 0 0 0 0 19 28 1 0 0 0 0 M END $$$$