BX9D2J -OEChem-04012115002D 45 47 0 1 0 0 0 0 0999 V2000 2.8660 0.4806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2731 3.5684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.4806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.4806 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.0194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3007 -1.0139 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2788 -1.2219 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.4806 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 -0.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1097 0.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 -0.3558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6551 3.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 4.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 4.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.7906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -0.4944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -0.4944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 0.9555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 0.9555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 1.7906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.3294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -0.9368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -1.6271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2386 0.9938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.7094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.7094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3954 -0.2910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0654 3.3768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.3294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.3294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.1394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5997 5.0210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3285 5.0210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 17 1 0 0 0 0 2 26 1 0 0 0 0 3 14 2 0 0 0 0 9 4 1 1 0 0 0 4 14 1 0 0 0 0 4 32 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 5 16 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 33 1 0 0 0 0 7 8 2 0 0 0 0 8 20 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 13 15 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 17 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 16 20 2 0 0 0 0 16 36 1 0 0 0 0 17 21 2 0 0 0 0 18 22 1 0 0 0 0 18 37 1 0 0 0 0 19 23 2 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 21 25 1 0 0 0 0 21 40 1 0 0 0 0 22 24 2 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 25 26 2 0 0 0 0 25 44 1 0 0 0 0 26 45 1 0 0 0 0 M END $$$$