B1CG9K -OEChem-04012115093D 46 49 0 1 0 0 0 0 0999 V2000 -0.2096 1.6444 -1.9231 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2247 3.1658 2.2801 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4555 0.9630 0.2883 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3498 0.8528 -0.5531 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1391 0.4311 -1.3410 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1961 1.2449 -2.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3468 -0.1794 -0.1803 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8314 1.0803 -1.0305 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5079 -0.3334 -0.9377 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1236 -0.9964 0.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7844 1.5209 0.8068 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.4458 -1.3044 -0.5868 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0614 -1.9675 1.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9259 0.5729 0.6553 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5591 1.9770 2.2598 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2226 -2.1215 0.5215 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9981 0.8999 -0.1754 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9204 -0.6378 1.3417 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0800 0.0178 -0.3298 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0743 -1.2133 0.3682 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9869 -1.5260 1.2002 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1672 0.3305 -1.1618 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1561 -2.0954 0.2137 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2337 -0.5578 -1.3036 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2281 -1.7685 -0.6172 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2274 1.6693 0.1555 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0603 -0.6041 -1.6584 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7564 0.7534 -2.7881 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9968 2.2900 -2.2141 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0324 0.4121 0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7222 0.3017 -1.7921 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2224 -0.8845 1.5253 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9846 2.4225 0.2118 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3526 -1.4211 -1.1731 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8878 -2.6034 2.1421 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0478 1.2133 2.8566 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5150 2.2107 2.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9535 -2.8767 0.7954 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9971 1.8479 -0.7108 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0920 -0.9110 1.9901 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9610 -2.4671 1.7456 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3334 3.4195 3.2125 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1930 1.2711 -1.7081 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1729 -3.0473 0.7405 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0685 -0.3038 -1.9503 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0587 -2.4596 -0.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 15 1 0 0 0 0 2 42 1 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 27 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 9 12 1 0 0 0 0 9 31 1 0 0 0 0 10 13 2 0 0 0 0 10 32 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 11 33 1 0 0 0 0 12 16 2 0 0 0 0 12 34 1 0 0 0 0 13 16 1 0 0 0 0 13 35 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 17 19 1 0 0 0 0 17 39 1 0 0 0 0 18 21 2 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 22 2 0 0 0 0 20 21 1 0 0 0 0 20 23 2 0 0 0 0 21 41 1 0 0 0 0 22 24 1 0 0 0 0 22 43 1 0 0 0 0 23 25 1 0 0 0 0 23 44 1 0 0 0 0 24 25 2 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 M END $$$$