D00REW -OEChem-10191521182D 41 44 0 0 0 0 0 0 0999 V2000 9.5678 1.7114 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.4454 2.3104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1311 1.4339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0405 0.5872 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4328 -1.5596 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3829 -0.6122 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3923 1.3559 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0679 0.1726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0678 0.1726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7528 -0.6122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7588 1.1236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3769 1.1236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7434 1.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7733 -0.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0632 0.7989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3624 -0.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0952 0.5872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0933 -2.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4523 -1.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7578 1.7511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3912 0.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7805 1.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4138 0.2700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1085 1.2222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4592 0.6933 0.0000 C -1 0 0 0 0 0 0 0 0 0 0 0 12.1864 -0.8658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9493 -0.8658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7012 0.7184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3305 -1.1483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8444 -1.8781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5742 -2.3641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6278 -2.7199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5028 -2.7760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5588 -1.9009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1744 2.2102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5805 -0.5321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5912 2.5532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9972 -0.1892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0425 0.2342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9183 0.2767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 2 13 2 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 4 13 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 10 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 6 9 1 0 0 0 0 6 16 2 0 0 0 0 7 12 2 0 0 0 0 7 17 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 8 12 1 0 0 0 0 9 11 2 0 0 0 0 10 14 1 0 0 0 0 11 13 1 0 0 0 0 14 17 2 0 0 0 0 14 26 1 0 0 0 0 15 20 2 0 0 0 0 15 21 1 0 0 0 0 16 27 1 0 0 0 0 17 28 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 29 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 20 22 1 0 0 0 0 20 35 1 0 0 0 0 21 23 2 0 0 0 0 21 36 1 0 0 0 0 22 24 2 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 M ISO 1 25 11 M END $$$$