B2N9PK -OEChem-04012115522D 47 49 0 0 0 0 0 0 0999 V2000 4.5981 -0.7095 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 -1.5755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 0.1565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7260 -1.7095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7852 0.7901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2095 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1424 -2.5142 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4530 0.0458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4315 0.2520 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4280 2.4849 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1424 -0.9048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7260 -1.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7422 1.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0744 1.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7207 1.4087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3850 2.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0314 2.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3635 3.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0958 1.7406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.0895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.4105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -2.5195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.3295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3350 -3.1035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.3274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.1005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.7464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -1.7095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -1.7095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0360 -2.2464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1348 0.9473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9710 3.3588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6380 2.4871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5561 3.6929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6206 3.0742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8213 2.3570 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 6 1 0 0 0 0 1 11 1 0 0 0 0 4 19 1 0 0 0 0 4 41 1 0 0 0 0 5 28 2 0 0 0 0 6 13 1 0 0 0 0 6 31 1 0 0 0 0 7 14 1 0 0 0 0 7 19 1 0 0 0 0 7 34 1 0 0 0 0 8 9 2 0 0 0 0 8 17 1 0 0 0 0 9 22 1 0 0 0 0 10 28 1 0 0 0 0 10 46 1 0 0 0 0 10 47 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 12 17 1 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 13 29 1 0 0 0 0 14 18 1 0 0 0 0 15 30 1 0 0 0 0 16 18 2 0 0 0 0 16 32 1 0 0 0 0 17 19 2 0 0 0 0 18 33 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 23 25 2 0 0 0 0 23 28 1 0 0 0 0 24 26 1 0 0 0 0 24 42 1 0 0 0 0 25 27 1 0 0 0 0 25 43 1 0 0 0 0 26 27 2 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 M END $$$$