B8V7GX -OEChem-04012116082D 42 44 0 1 0 0 0 0 0999 V2000 4.3211 0.6559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1921 1.8932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 0.1178 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.3437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.6484 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 1.0683 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6103 1.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 1.2745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -0.0884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 2.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5673 2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9244 0.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5458 2.4313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9030 0.7364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.8437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2136 1.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5028 2.8437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6714 0.9404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0633 2.1046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2277 1.3247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3815 -0.3437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5102 2.5705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1135 3.3524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3316 2.9557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1532 2.6865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7318 -0.0591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7384 3.0206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3170 0.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -1.8437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.4637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.0337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.6537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0921 2.6511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6954 3.4330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9135 3.0363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 18 1 0 0 0 0 2 23 1 0 0 0 0 3 6 1 0 0 0 0 3 9 1 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 14 1 0 0 0 0 4 20 1 0 0 0 0 5 17 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 24 1 0 0 0 0 7 10 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 9 11 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 14 2 0 0 0 0 11 17 1 0 0 0 0 12 15 1 0 0 0 0 12 31 1 0 0 0 0 13 16 2 0 0 0 0 13 32 1 0 0 0 0 14 19 1 0 0 0 0 15 18 2 0 0 0 0 15 33 1 0 0 0 0 16 18 1 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 19 21 2 0 0 0 0 19 36 1 0 0 0 0 20 22 2 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 M END $$$$