B6XVK1 -OEChem-04012115522D 47 50 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 2.0000 0.7905 0.0000 O 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 7.4280 2.4849 0.0000 O 0 5 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 8.0958 1.7406 0.0000 N 0 3 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 3.7320 0.7905 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 1.2905 0.0000 C 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 6.3301 -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 5.4641 -2.2095 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 8.1424 -0.9048 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 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 2.4675 -1.1844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -1.1844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 0.6828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 1.3731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -0.1018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -0.7921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 1.7655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 1.7655 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 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 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 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 8 1 0 0 0 0 1 17 1 0 0 0 0 2 15 1 0 0 0 0 2 16 1 0 0 0 0 5 24 1 0 0 0 0 5 43 1 0 0 0 0 6 12 1 0 0 0 0 7 12 2 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 9 20 1 0 0 0 0 9 24 1 0 0 0 0 9 42 1 0 0 0 0 10 11 2 0 0 0 0 10 23 1 0 0 0 0 11 25 1 0 0 0 0 12 26 1 0 0 0 0 13 15 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 16 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 19 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 18 23 1 0 0 0 0 19 39 1 0 0 0 0 20 22 1 0 0 0 0 21 22 2 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 23 24 2 0 0 0 0 25 26 1 0 0 0 0 25 27 2 0 0 0 0 26 28 2 0 0 0 0 27 29 1 0 0 0 0 27 44 1 0 0 0 0 28 30 1 0 0 0 0 28 45 1 0 0 0 0 29 30 2 0 0 0 0 29 46 1 0 0 0 0 30 47 1 0 0 0 0 M CHG 2 6 -1 12 1 M END $$$$