B1LQS4 -OEChem-04012118452D 39 41 0 0 0 0 0 0 0999 V2000 2.0000 -2.2704 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.8544 -0.7296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8544 2.2704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3243 -0.7537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7205 -0.2296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7205 0.7704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7205 -0.2296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2205 -1.0956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8544 1.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9884 0.7704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9884 -0.2296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0945 -0.7642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0945 1.3051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1884 -0.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1884 0.7912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4564 -0.2571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5923 -0.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5961 -1.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7243 -0.2638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8602 -0.7671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -1.7671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3310 0.6628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9325 1.3530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7205 -0.8496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3405 -0.2296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7205 0.3904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6835 -1.4056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5305 -1.6326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7574 -0.7856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1016 -1.3842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1016 1.9250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6527 1.1033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8531 0.2194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0560 0.2163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1343 -2.0683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7219 0.3562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7344 -2.8837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3221 -0.4592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 5 1 0 0 0 0 2 11 1 0 0 0 0 3 9 2 0 0 0 0 4 14 1 0 0 0 0 4 16 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 12 14 2 0 0 0 0 12 31 1 0 0 0 0 13 15 2 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 16 35 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 18 36 1 0 0 0 0 19 21 2 0 0 0 0 19 37 1 0 0 0 0 20 22 2 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 M END $$$$