B2GDF3 -OEChem-04012114322D 47 49 0 0 0 0 0 0 0999 V2000 2.8090 -2.7306 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5411 0.2694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 -4.3184 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.3184 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5411 2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5411 3.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5411 -0.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 -1.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 3.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 -2.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2731 3.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 4.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1391 3.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2731 5.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1391 4.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -3.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3090 -5.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 -5.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0041 2.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4630 2.3520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0645 1.6618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0177 1.6618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6192 2.3520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0645 0.8771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4630 0.1868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6192 0.1868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0177 0.8771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3290 3.8520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9305 3.1618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7531 -1.3132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1516 -0.6229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4630 -0.6480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0645 -1.3382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8871 -2.8132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2856 -2.1229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2731 2.6494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8702 5.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6761 3.4594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2731 5.8894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6761 5.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2077 -4.1268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6734 -5.7710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9446 -5.7710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 20 1 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 2 11 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 3 45 1 0 0 0 0 4 20 2 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 23 1 0 0 0 0 6 8 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 13 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 14 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 17 1 0 0 0 0 15 40 1 0 0 0 0 16 18 2 0 0 0 0 16 41 1 0 0 0 0 17 19 2 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 19 44 1 0 0 0 0 21 22 2 0 0 0 0 21 46 1 0 0 0 0 22 47 1 0 0 0 0 M END $$$$