D0PT2D -OEChem-10101305032D 32 35 0 0 0 0 0 0 0999 V2000 5.9156 2.7251 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.3091 2.9519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0615 -2.0376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2512 -0.2091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2213 0.6040 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4123 1.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7213 2.1428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0304 1.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4182 1.1944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7213 2.1428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8291 0.3864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5310 -0.3406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1119 2.1401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8331 0.6054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5251 -0.3398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8347 0.4926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2342 -0.5279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2455 -0.3154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6450 -1.3359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6507 -1.2296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 -2.9519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1674 -0.8428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5222 2.3317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4230 0.7960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8895 -0.8413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5835 1.0595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8507 -0.5937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8962 -1.9027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8998 -3.2031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7179 -3.5187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0335 -2.7007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 13 1 0 0 0 0 2 10 2 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 18 1 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 12 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 8 10 1 0 0 0 0 8 14 2 0 0 0 0 9 11 1 0 0 0 0 9 13 2 0 0 0 0 11 16 2 0 0 0 0 11 17 1 0 0 0 0 12 15 2 0 0 0 0 12 22 1 0 0 0 0 13 23 1 0 0 0 0 14 15 1 0 0 0 0 14 24 1 0 0 0 0 15 25 1 0 0 0 0 16 18 1 0 0 0 0 16 26 1 0 0 0 0 17 19 2 0 0 0 0 17 27 1 0 0 0 0 18 20 2 0 0 0 0 19 20 1 0 0 0 0 19 28 1 0 0 0 0 21 30 1 0 0 0 0 21 31 1 0 0 0 0 21 32 1 0 0 0 0 M END $$$$