B6NQC4 -OEChem-04022102202D 41 43 0 1 0 0 0 0 0999 V2000 2.8660 -0.7710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8228 0.9361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4909 1.5609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.2710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.2710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9909 0.6949 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9909 2.4269 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2710 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6980 -0.5299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9568 0.4361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4909 1.5609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4909 3.2930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9909 4.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.7710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9909 4.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4909 5.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4909 5.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9909 5.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9909 5.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.7710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8130 -0.8857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 -1.1287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2968 -0.6903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6109 2.4269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0159 3.6915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0159 2.8944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.9610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.9610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.5810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.5810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3009 3.6220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8709 5.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1109 5.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6809 6.4280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3009 6.4280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.8910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8 1 1 1 0 0 0 1 12 1 0 0 0 0 2 10 2 0 0 0 0 3 11 2 0 0 0 0 4 25 1 0 0 0 0 4 41 1 0 0 0 0 5 25 2 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 20 2 0 0 0 0 14 21 1 0 0 0 0 15 17 1 0 0 0 0 15 32 1 0 0 0 0 16 18 2 0 0 0 0 16 33 1 0 0 0 0 17 19 2 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 25 1 0 0 0 0 20 22 1 0 0 0 0 20 36 1 0 0 0 0 21 23 2 0 0 0 0 21 37 1 0 0 0 0 22 24 2 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 M END $$$$