BQCE96 -OEChem-04022102183D 39 42 0 0 0 0 0 0 0999 V2000 5.1934 -3.0007 0.2273 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0574 1.5361 -0.0965 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8503 -0.9934 0.0505 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5399 -0.6104 0.0492 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6833 1.3896 -0.1111 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0972 0.0673 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8982 0.4089 -0.0084 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2578 -0.8449 0.0564 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3704 -0.1085 0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1383 2.6509 -0.2591 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3796 2.8664 -0.1899 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2058 3.5793 -0.2969 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2900 0.5182 0.0053 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9936 -0.8650 -0.9912 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1321 0.4815 1.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1399 -0.4418 0.0339 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0523 -1.9929 0.1363 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3783 -1.0317 -0.9749 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5168 0.3149 1.0264 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0604 -0.6415 0.0857 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4452 -1.8921 0.1506 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3414 -0.0014 1.0922 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1969 -1.3886 -0.9823 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9147 2.8865 -0.3276 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4032 3.2147 -0.1849 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1298 4.6529 -0.3966 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7982 1.4754 -0.0452 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4114 -1.3274 -1.7842 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6605 1.0659 1.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5912 -2.9761 0.1888 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8152 -1.6286 -1.7693 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0646 0.7922 1.8329 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1444 -0.5718 0.0972 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4067 -0.2254 0.9672 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2487 1.0902 1.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0582 -0.3796 2.0808 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2819 -1.4245 -0.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8480 -2.4273 -0.9773 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0336 -0.9506 -1.9733 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 5 1 0 0 0 0 2 7 1 0 0 0 0 2 11 1 0 0 0 0 3 6 2 0 0 0 0 3 8 1 0 0 0 0 4 16 1 0 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 9 1 0 0 0 0 7 8 2 0 0 0 0 7 13 1 0 0 0 0 8 17 1 0 0 0 0 9 14 2 0 0 0 0 9 15 1 0 0 0 0 10 12 1 0 0 0 0 10 24 1 0 0 0 0 11 12 2 0 0 0 0 11 25 1 0 0 0 0 12 26 1 0 0 0 0 13 20 2 0 0 0 0 13 27 1 0 0 0 0 14 18 1 0 0 0 0 14 28 1 0 0 0 0 15 19 2 0 0 0 0 15 29 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 21 2 0 0 0 0 17 30 1 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 M END $$$$