BB3NG0 -OEChem-04022105512D 47 51 0 1 0 0 0 0 0999 V2000 7.3301 2.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2891 -2.6596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 4.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 4.2942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -3.6107 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 1.9282 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 2.7942 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5981 2.7942 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0981 0.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 3.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0103 -4.4197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0968 -4.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9058 -5.4142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 0.4282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 0.4282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.6107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -0.5718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 -0.5718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 -1.0718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 -2.0718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9071 -2.6596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6970 1.7677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7585 3.3931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4376 3.3931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5891 -4.6419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 -4.3124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6508 -5.2571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6340 -5.9715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5017 -5.5851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6951 0.7382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5010 0.7382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.6042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.1742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9272 4.6042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6951 -0.8818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5010 -0.8818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.4142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.9842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 4.6042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4967 -2.4680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 5.4142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 19 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 47 1 0 0 0 0 4 11 1 0 0 0 0 4 40 1 0 0 0 0 5 19 2 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 6 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 1 0 0 0 7 29 1 0 0 0 0 8 11 1 1 0 0 0 8 30 1 0 0 0 0 9 15 2 0 0 0 0 9 16 1 0 0 0 0 10 17 2 0 0 0 0 10 18 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 20 1 0 0 0 0 15 36 1 0 0 0 0 16 21 2 0 0 0 0 16 37 1 0 0 0 0 17 23 1 0 0 0 0 17 38 1 0 0 0 0 18 24 2 0 0 0 0 18 39 1 0 0 0 0 20 22 2 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 25 1 0 0 0 0 23 26 2 0 0 0 0 23 43 1 0 0 0 0 24 26 1 0 0 0 0 24 44 1 0 0 0 0 25 27 2 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 M END $$$$