LE45UJ -OEChem-05022322272D 41 42 0 0 0 0 0 0 0999 V2000 5.2004 -1.7996 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4522 0.3092 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.9829 -3.3863 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.1252 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0699 -2.7910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3309 -0.8081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4351 0.0482 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1919 -1.9301 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0524 0.9721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0524 0.9721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7595 1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3453 1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7595 2.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3453 2.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0524 3.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0524 3.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8263 -0.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2090 -1.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8348 -0.6146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6002 -2.4624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2261 -1.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6088 -2.3319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6604 0.8511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5154 0.6621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2128 0.3732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0695 1.1422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3583 1.8396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7464 1.8396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0353 1.1422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3583 2.5187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0695 3.2161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0353 3.2161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7464 2.5187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5893 3.6963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8919 3.9852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2128 3.9852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5154 3.6963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0497 -0.0327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6114 -1.3271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4291 -2.5029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5693 -1.4382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 8 1 0 0 0 0 1 18 1 0 0 0 0 2 19 1 0 0 0 0 3 20 1 0 0 0 0 4 22 1 0 0 0 0 7 9 1 0 0 0 0 7 17 1 0 0 0 0 7 38 1 0 0 0 0 8 40 1 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 23 1 0 0 0 0 10 12 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 13 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 14 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 15 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 16 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 19 21 2 0 0 0 0 20 22 2 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 M END $$$$