B6HGC1 -OEChem-04022102152D 49 52 0 1 0 0 0 0 0999 V2000 9.2426 3.1575 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.3690 2.3709 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.0233 -0.7164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0406 -3.1575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 0.3346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0052 0.6849 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3007 -1.8974 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -0.5314 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7046 0.9382 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3007 -0.8975 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7619 -1.3974 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3497 -0.5884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7484 1.3540 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1097 -0.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1392 1.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -1.3974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3416 2.2675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3471 2.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3497 -2.2065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -0.5314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 0.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.3362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7265 1.1461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.4686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8532 -1.1789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4804 -0.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6018 -0.0220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8127 -0.2784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9088 0.7551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5495 1.3764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8870 0.6185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1793 -1.6095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8695 -2.0080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9313 2.4591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2127 2.8740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8023 -2.2619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2156 0.5825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4272 0.8402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4272 -1.9031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2156 -1.6454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.2786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.3414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 18 1 0 0 0 0 3 14 2 0 0 0 0 4 19 2 0 0 0 0 5 20 2 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 7 10 1 0 0 0 0 7 19 1 0 0 0 0 7 41 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 25 3 0 0 0 0 10 12 1 0 0 0 0 10 14 1 1 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 6 0 0 0 11 19 1 0 0 0 0 11 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 17 1 0 0 0 0 13 25 1 1 0 0 0 13 34 1 0 0 0 0 15 18 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 20 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 21 23 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 24 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 26 2 0 0 0 0 24 27 2 0 0 0 0 26 28 1 0 0 0 0 26 46 1 0 0 0 0 27 29 1 0 0 0 0 27 47 1 0 0 0 0 28 29 2 0 0 0 0 28 48 1 0 0 0 0 29 49 1 0 0 0 0 M END $$$$