D0V5AN -OEChem-10101305022D 44 47 0 0 0 0 0 0 0999 V2000 6.3773 0.2901 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1863 -0.2977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5683 0.8779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7895 -0.5189 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5896 -0.3298 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7895 -0.5189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4805 -1.4699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2437 0.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2895 -2.0577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5599 -1.8084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0985 -1.4699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2665 0.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7200 -1.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3824 -3.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0565 -1.8789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9651 1.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3307 -3.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1734 -2.9139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9596 0.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5583 2.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5474 1.8036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1461 2.8217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1406 2.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7284 3.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8229 0.5172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1574 0.9100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1293 -2.2544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8985 -2.3278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4562 0.9702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7335 0.6968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1026 -1.2450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5266 -1.8910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8766 -3.4538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5538 -1.5087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3931 -4.1430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7407 -3.1639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2118 0.4282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9417 2.0775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1640 1.7388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8939 3.3881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2300 3.1618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0928 4.0278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2268 3.8906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 16 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 33 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 8 12 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 9 14 2 0 0 0 0 10 13 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 15 2 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 17 1 0 0 0 0 14 34 1 0 0 0 0 15 18 1 0 0 0 0 15 35 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 17 18 2 0 0 0 0 17 36 1 0 0 0 0 18 37 1 0 0 0 0 19 21 1 0 0 0 0 19 38 1 0 0 0 0 20 22 2 0 0 0 0 20 39 1 0 0 0 0 21 23 2 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 M END $$$$