BSJ8D4 -OEChem-04022102302D 52 54 0 1 0 0 0 0 0999 V2000 8.8980 8.6189 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.5860 5.6567 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.1967 7.5612 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8969 1.7320 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5308 0.3660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.8969 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.8886 5.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1289 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2629 2.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2600 6.2998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6317 4.9781 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7600 7.8387 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2553 6.9261 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2873 6.7144 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9655 5.7238 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5844 7.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9450 5.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5690 7.2509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2647 6.9261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2600 6.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9510 7.2509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5700 7.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9367 6.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5750 5.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9356 7.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2326 6.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5545 5.7238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9140 6.3972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5474 8.0900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2194 7.3495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5833 6.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6060 6.3972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3969 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2629 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7031 6.2545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5722 5.8515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1068 7.8171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3448 8.0549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4150 5.1933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1713 4.9379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4378 4.3892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2387 5.1046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7474 5.5952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7734 4.9277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7508 8.0750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1414 5.2614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7367 8.6804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0660 7.5165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7372 7.0032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.5285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4747 5.7913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6658 1.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 28 1 0 0 0 0 3 30 1 0 0 0 0 4 33 1 0 0 0 0 5 33 1 0 0 0 0 6 33 1 0 0 0 0 7 31 2 0 0 0 0 8 34 1 0 0 0 0 8 52 1 0 0 0 0 9 34 2 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 10 20 1 0 0 0 0 15 11 1 1 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 18 2 0 0 0 0 12 21 1 0 0 0 0 13 26 1 0 0 0 0 13 31 1 0 0 0 0 13 48 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 14 35 1 0 0 0 0 15 17 1 0 0 0 0 15 36 1 0 0 0 0 16 18 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 19 22 1 0 0 0 0 19 23 2 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 25 1 0 0 0 0 22 29 2 0 0 0 0 23 28 1 0 0 0 0 23 43 1 0 0 0 0 24 27 2 0 0 0 0 24 44 1 0 0 0 0 25 26 2 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 27 46 1 0 0 0 0 28 30 2 0 0 0 0 29 30 1 0 0 0 0 29 47 1 0 0 0 0 31 32 1 0 0 0 0 32 49 1 0 0 0 0 32 50 1 0 0 0 0 32 51 1 0 0 0 0 33 34 1 0 0 0 0 M END $$$$