B4SMP2 -OEChem-04022105352D 35 38 0 0 0 0 0 0 0999 V2000 5.7123 -1.5948 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6498 1.3278 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0547 -0.3955 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3991 -2.1318 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 0.7287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3364 0.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7183 0.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0274 -0.8101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0274 -0.8101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3518 0.3732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7029 0.3732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3424 -1.5948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3219 -1.3861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7328 -1.3861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6255 1.5470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3031 0.8116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9235 2.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2788 1.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8991 2.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5768 1.9854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9422 1.1895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1125 1.1895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5182 0.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5408 -2.1822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2296 1.7837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 -0.2642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9088 -1.8485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1184 0.2198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5033 2.9575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2052 -2.7208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0060 -2.0053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6990 0.5749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0839 3.3126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1817 2.1213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 15 2 0 0 0 0 2 10 1 0 0 0 0 2 16 1 0 0 0 0 2 26 1 0 0 0 0 3 10 2 0 0 0 0 3 15 1 0 0 0 0 4 15 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 11 2 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 11 13 1 0 0 0 0 11 24 1 0 0 0 0 12 14 1 0 0 0 0 12 25 1 0 0 0 0 13 14 2 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 29 1 0 0 0 0 18 20 2 0 0 0 0 18 30 1 0 0 0 0 19 21 2 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 M END $$$$