B1XQB4 -OEChem-04012115532D 45 47 0 0 0 0 0 0 0999 V2000 5.4641 -0.7095 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 -1.5755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 0.1565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5920 -1.7095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2940 2.4849 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.6512 0.7901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2095 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0084 -2.5142 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3191 0.0458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2976 0.2520 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9619 1.7406 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.0622 -1.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0084 -0.9048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5920 -1.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6082 1.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9404 1.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5867 1.4087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2510 2.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8974 2.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2296 3.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.0895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -2.5195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.3295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.4105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -1.1844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -1.1844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2010 -3.1035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 0.2655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 0.2655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.1726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.0195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.2464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9020 -2.2464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0008 0.9473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8370 3.3588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5041 2.4871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4222 3.6929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 7 1 0 0 0 0 1 13 1 0 0 0 0 4 20 1 0 0 0 0 4 41 1 0 0 0 0 5 11 1 0 0 0 0 6 11 2 0 0 0 0 7 19 1 0 0 0 0 7 32 1 0 0 0 0 8 14 1 0 0 0 0 8 20 1 0 0 0 0 8 35 1 0 0 0 0 9 10 2 0 0 0 0 9 16 1 0 0 0 0 10 23 1 0 0 0 0 11 24 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 13 15 2 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 15 29 1 0 0 0 0 16 20 2 0 0 0 0 17 18 2 0 0 0 0 17 30 1 0 0 0 0 18 31 1 0 0 0 0 19 21 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 24 26 2 0 0 0 0 25 27 1 0 0 0 0 25 42 1 0 0 0 0 26 28 1 0 0 0 0 26 43 1 0 0 0 0 27 28 2 0 0 0 0 27 44 1 0 0 0 0 28 45 1 0 0 0 0 M CHG 2 5 -1 11 1 M END $$$$