B1CMG2 -OEChem-04022102012D 60 63 0 0 0 0 0 0 0999 V2000 9.2751 -0.8013 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.4964 -2.1285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7364 0.9200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3903 -2.9990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8578 -0.4649 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7238 4.0351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7238 3.0351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7238 5.0351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7238 4.0351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7238 4.0351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8578 2.5351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5899 2.5351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7238 1.0351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8578 1.5351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5899 1.5351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7238 0.0351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7533 -1.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9443 -0.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7751 -1.6673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3684 -2.5809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3739 -2.6854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9671 -3.5989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7861 -1.8764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3848 -2.8944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9726 -3.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7916 -1.9809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9836 -3.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 -4.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 -3.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 -4.9306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 -3.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 -5.0351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.2261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3438 5.0351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7238 5.6551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1038 5.0351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7238 3.4151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3438 4.0351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7238 4.6551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7238 4.6551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1038 4.0351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7238 3.4151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3209 2.8451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1268 2.8451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3209 1.2251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1268 1.2251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9359 -0.5475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3344 0.1428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7328 -3.0824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3316 -4.1005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0383 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7204 -4.2699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4271 -1.4793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9403 -4.5310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5851 -4.0625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6534 -2.6416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9467 -5.4322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0423 -2.8110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3356 -5.6015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 -4.2909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 17 2 0 0 0 0 3 18 2 0 0 0 0 4 24 1 0 0 0 0 4 27 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 2 0 0 0 0 7 12 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 14 1 0 0 0 0 11 43 1 0 0 0 0 12 15 2 0 0 0 0 12 44 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 14 45 1 0 0 0 0 15 46 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 49 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 25 1 0 0 0 0 22 50 1 0 0 0 0 23 26 2 0 0 0 0 23 51 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 52 1 0 0 0 0 26 53 1 0 0 0 0 27 28 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 29 56 1 0 0 0 0 30 32 2 0 0 0 0 30 57 1 0 0 0 0 31 33 2 0 0 0 0 31 58 1 0 0 0 0 32 33 1 0 0 0 0 32 59 1 0 0 0 0 33 60 1 0 0 0 0 M END $$$$