BD2G6S -OEChem-04012112062D 42 44 0 0 0 0 0 0 0999 V2000 6.4103 -1.5547 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 0.0547 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9939 -0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4939 -1.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 1.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 -2.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 -3.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3039 -0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9570 -1.9260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8039 -2.1530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0309 -1.3060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 16 1 0 0 0 0 2 11 1 0 0 0 0 2 20 1 0 0 0 0 3 13 1 0 0 0 0 3 33 1 0 0 0 0 4 9 1 0 0 0 0 4 16 2 0 0 0 0 5 16 1 0 0 0 0 5 22 1 0 0 0 0 5 34 1 0 0 0 0 6 19 1 0 0 0 0 6 23 2 0 0 0 0 7 9 1 0 0 0 0 7 11 2 0 0 0 0 7 12 1 0 0 0 0 8 10 1 0 0 0 0 8 13 2 0 0 0 0 8 14 1 0 0 0 0 9 10 2 0 0 0 0 11 13 1 0 0 0 0 12 15 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 14 17 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 15 18 1 0 0 0 0 15 19 2 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 18 21 2 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 23 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 M END $$$$