D0V4QS -OEChem-10121500262D 42 45 0 0 0 0 0 0 0999 V2000 3.7230 -2.8279 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5448 0.3375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6770 2.1394 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9786 -0.5635 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4786 -2.7541 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1081 1.1637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5476 0.4122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6742 2.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1137 1.3132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9786 -0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3552 -1.3453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2431 3.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5777 -2.3202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6021 -1.3453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3648 -1.2588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3796 -2.3202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9749 -2.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5926 -1.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1322 -3.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3616 -1.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1298 -2.7411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5519 0.7308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6115 1.5257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9507 0.2443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6093 -0.2047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2710 2.2326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6125 2.6816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6698 1.7461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6103 0.9513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8017 3.3094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9741 3.5990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6845 2.7714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2477 -0.0049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0459 -0.7271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7236 -0.4170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9872 -3.6432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8620 -1.7912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3955 -2.5336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1380 -3.0001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9534 -1.5405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5827 -3.1645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 17 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 10 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 12 1 0 0 0 0 4 10 1 0 0 0 0 4 14 1 0 0 0 0 4 34 1 0 0 0 0 5 13 2 0 0 0 0 5 16 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 9 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 11 2 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 14 16 1 0 0 0 0 14 18 2 0 0 0 0 15 17 2 0 0 0 0 15 35 1 0 0 0 0 16 19 2 0 0 0 0 17 20 1 0 0 0 0 18 21 1 0 0 0 0 18 36 1 0 0 0 0 19 22 1 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 M END $$$$