BQB9A5 -OEChem-04022102212D 47 49 0 1 0 0 0 0 0999 V2000 4.3569 1.2509 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0640 -1.7059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5810 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0810 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8569 0.3849 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8228 0.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5640 -0.8399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8569 2.1169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5810 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3569 2.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.5810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8569 3.8490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.0810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.0810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8569 3.8490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3569 4.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.0810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.0810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.5810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3569 4.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8569 5.5810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8569 5.5810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2343 0.8768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4217 -0.0344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9833 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3318 1.7184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3318 2.5155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.9610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.3910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8820 3.3815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8820 2.5844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.5441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.7710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.6180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.7710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.7710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1669 3.3120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7369 4.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -5.3910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -5.3910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.2010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9769 4.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5469 6.1180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1669 6.1180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 10 1 0 0 0 0 2 8 2 0 0 0 0 3 9 2 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 9 1 0 0 0 0 11 5 1 1 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 10 12 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 31 1 0 0 0 0 12 15 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 16 38 1 0 0 0 0 17 21 2 0 0 0 0 17 39 1 0 0 0 0 18 23 1 0 0 0 0 18 40 1 0 0 0 0 19 24 2 0 0 0 0 19 41 1 0 0 0 0 20 22 2 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 23 25 2 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 25 47 1 0 0 0 0 M END $$$$