BM95IQ -OEChem-04012118102D 50 51 0 1 0 0 0 0 0999 V2000 7.9867 0.7979 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.1246 1.6377 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.2848 2.7756 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8746 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.8746 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.8746 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.3206 4.2144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.6254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.1254 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 4.3160 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.8746 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3406 3.5342 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3651 2.5593 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5631 2.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 4.3160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1469 1.9358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5876 3.5342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.6254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3657 3.7567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.3746 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 -0.8746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1357 1.7867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.3746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.3746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.3746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.8746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9022 3.0958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2956 1.9432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9431 2.5593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4252 1.9548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1021 4.9205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4055 4.5850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6179 1.6125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3948 2.5040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2331 4.8746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 1.2080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 0.5177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5036 4.3612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7612 3.8947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2277 3.1523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.9946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -0.2920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -0.9823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.4946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.5646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.0646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.6846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 23 1 0 0 0 0 3 23 1 0 0 0 0 4 25 1 0 0 0 0 5 27 1 0 0 0 0 6 29 1 0 0 0 0 7 17 2 0 0 0 0 8 18 2 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 9 18 1 0 0 0 0 10 15 1 0 0 0 0 10 17 1 0 0 0 0 10 38 1 0 0 0 0 21 11 1 6 0 0 0 11 47 1 0 0 0 0 11 48 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 20 1 6 0 0 0 12 30 1 0 0 0 0 13 16 1 1 0 0 0 13 17 1 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 23 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 18 19 1 0 0 0 0 19 21 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 24 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 25 28 2 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 27 29 2 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 M END $$$$