BJC3D2 -OEChem-04022100262D 54 55 0 1 0 0 0 0 0999 V2000 6.9635 3.4122 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.1974 3.7694 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.1974 2.7694 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.1974 1.7694 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.1974 2.7694 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.8402 1.0034 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2294 -1.5312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1974 1.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1974 -2.2306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6974 -3.7694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9575 -2.5094 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0064 -2.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3884 -2.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4374 -2.5094 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1974 -1.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7006 -3.1785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 -3.1785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6974 -3.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1974 1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1654 -1.5312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1974 0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0634 -0.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3314 -0.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 -2.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0634 0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3314 0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6517 -2.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1974 2.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1974 1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.5386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4967 -2.0945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8477 -2.3178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2121 -3.5602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9917 -3.7259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4031 -3.7259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1828 -3.5602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3330 -4.2710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7719 -1.6601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2943 -0.9247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5590 -1.4023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6004 -1.0406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7945 -1.0406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0342 -2.3220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2546 -2.4878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6004 0.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7945 0.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8433 -3.4591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2413 -2.6779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4601 -2.2798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6398 -1.3396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5851 -3.0778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5392 -3.9534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4149 -3.9993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8874 1.2325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 28 1 0 0 0 0 3 28 1 0 0 0 0 4 29 1 0 0 0 0 5 29 1 0 0 0 0 6 29 1 0 0 0 0 7 14 1 0 0 0 0 7 50 1 0 0 0 0 8 19 1 0 0 0 0 8 54 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 9 15 1 0 0 0 0 10 12 2 0 0 0 0 10 18 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 11 20 1 0 0 0 0 11 31 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 17 1 0 0 0 0 14 32 1 0 0 0 0 15 22 2 0 0 0 0 15 23 1 0 0 0 0 16 27 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 24 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 37 1 0 0 0 0 19 21 1 0 0 0 0 19 28 1 0 0 0 0 19 29 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 25 2 0 0 0 0 21 26 1 0 0 0 0 22 25 1 0 0 0 0 22 41 1 0 0 0 0 23 26 2 0 0 0 0 23 42 1 0 0 0 0 24 30 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 M END $$$$