57357909 -OEChem-10012103363D 12 16 0 1 0 0 0 0 0999 V2000 -0.6540 1.0838 0.4091 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6558 1.0833 -0.4074 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2706 -0.0334 -0.4380 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2706 -0.0360 0.4379 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0174 -0.0315 1.2493 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0173 -0.0296 -1.2494 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5700 -1.0183 0.4689 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5684 -1.0183 -0.4705 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1577 1.9441 0.8321 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1608 1.9435 -0.8291 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2785 -0.1027 -0.8257 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2783 -0.1076 0.8255 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 5 1 0 0 0 0 1 9 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 2 10 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 12 1 0 0 0 0 5 7 2 0 0 0 0 6 8 2 0 0 0 0 7 8 1 0 0 0 0 M END > 57357909 > 0.4 > 1 > 8 1 0.14 2 0.14 3 0.28 4 0.28 5 -0.28 6 -0.28 7 -0.14 8 -0.14 > 0 > 1 8 1 2 3 4 5 6 7 8 rings > 8 > 0 > 4 > 0 > 0 > 0 > 1 > 1 > 036B365500000001 > 129.2 > 5.074 > 12423570 1 14785971034467261218 13024252 1 13067798762738619441 137420 1 18049199706063548833 16945 1 15737437669285807123 369184 2 8103628102986353443 > 164.64 1.21 1.17 1.15 0 0.05 0 0.02 0 0 0 0 -0.02 -0.01 > 434.598 > 83.6 > 2 5 10 $$$$