BN5QZ6 -OEChem-04022102363D 35 37 0 0 0 0 0 0 0999 V2000 -4.4411 1.5687 2.3139 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.7208 0.4069 -0.4238 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6021 -0.6209 -0.2934 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9777 -1.9311 0.9115 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8227 -1.1460 1.2954 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1431 -2.7457 0.5411 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7640 -2.1810 -1.9794 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4644 1.2925 -0.1113 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3979 0.2556 0.0604 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 1.2660 0.3977 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7012 0.3647 -0.4516 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8260 2.4481 -0.7966 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1006 -0.9250 0.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0361 1.5322 -1.1332 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1135 2.5677 -1.3081 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0514 0.2923 -0.1141 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1915 -1.7150 0.3796 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8768 -0.5337 -0.8772 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5798 1.0021 0.9641 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2305 -0.6497 -0.5619 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9336 0.8860 1.2793 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7590 0.0601 0.5163 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0767 -1.4946 -1.3442 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0384 1.0199 1.4665 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3538 2.2836 0.3245 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1272 3.2659 -0.9501 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0373 1.6506 -1.5435 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4041 3.4659 -1.8453 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4551 -1.0832 -1.7161 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7578 -1.9866 1.8608 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0351 -1.0223 0.6737 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0026 1.6627 1.6009 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8122 -0.0194 0.7745 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0710 -2.6298 0.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8849 -3.5870 1.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 10 1 0 0 0 0 2 16 1 0 0 0 0 3 11 1 0 0 0 0 3 17 2 0 0 0 0 4 13 2 0 0 0 0 4 17 1 0 0 0 0 5 13 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 17 1 0 0 0 0 6 34 1 0 0 0 0 6 35 1 0 0 0 0 7 23 3 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 14 2 0 0 0 0 12 15 2 0 0 0 0 12 26 1 0 0 0 0 14 15 1 0 0 0 0 14 27 1 0 0 0 0 15 28 1 0 0 0 0 16 18 1 0 0 0 0 16 19 2 0 0 0 0 18 20 2 0 0 0 0 18 29 1 0 0 0 0 19 21 1 0 0 0 0 19 32 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 21 22 2 0 0 0 0 22 33 1 0 0 0 0 M END $$$$