B2GS3D -OEChem-04042105563D 31 32 0 1 0 0 0 0 0999 V2000 -1.4080 -1.4383 1.0310 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1998 1.5645 0.3558 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9141 1.4436 -1.5172 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6440 0.6800 0.1924 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5407 0.8076 1.1822 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8728 1.4702 0.6913 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0124 -0.7820 -0.0603 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8846 0.5396 0.5448 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0061 -1.5115 -1.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3836 -0.7524 0.5334 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5907 1.5913 -0.0155 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0138 1.4791 -0.3001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4495 -2.7899 -0.7643 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6809 -2.6937 0.5881 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6238 -0.9999 -0.0549 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8309 1.3438 -0.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3474 0.0482 -0.6237 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3433 1.1127 -0.7727 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4055 0.1505 2.0516 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5634 1.8253 1.5955 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6022 2.5156 0.8797 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2274 1.0399 1.6364 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7271 -1.2024 -2.1756 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8308 -1.5754 0.9769 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1956 2.6030 -0.0077 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5836 -3.6713 -1.3747 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0229 -3.3903 1.3396 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0263 -2.0085 -0.0696 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3941 2.1596 -1.0476 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3130 -0.1445 -1.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9597 1.5849 -0.2642 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 14 1 0 0 0 0 2 12 1 0 0 0 0 2 31 1 0 0 0 0 3 12 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 18 1 0 0 0 0 5 8 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 12 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 9 13 1 0 0 0 0 9 23 1 0 0 0 0 10 15 1 0 0 0 0 10 24 1 0 0 0 0 11 16 2 0 0 0 0 11 25 1 0 0 0 0 13 14 2 0 0 0 0 13 26 1 0 0 0 0 14 27 1 0 0 0 0 15 17 2 0 0 0 0 15 28 1 0 0 0 0 16 17 1 0 0 0 0 16 29 1 0 0 0 0 17 30 1 0 0 0 0 M END $$$$