D03KNI -OEChem-10191522112D 55 57 0 0 0 0 0 0 0999 V2000 12.6580 3.1438 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7003 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.8335 -0.7388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1871 -0.2007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6085 2.8332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7075 3.4545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 -2.7003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0796 0.8304 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3473 2.1933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -3.5050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1226 0.4179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4333 1.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7905 -0.3264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4118 1.5747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7690 -0.1202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1441 0.2117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0582 1.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3688 1.9871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8550 -0.9450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -1.8956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 -2.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9686 4.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 -3.5663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7086 0.8794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4127 1.9881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8195 1.4558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2641 -0.6540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0217 -0.9016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9382 1.9023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1805 2.1499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7896 -0.7398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3828 -0.2075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1236 0.8314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5303 0.2990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0787 0.4169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6720 0.9492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3482 2.6068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7550 2.0744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7614 1.7318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5580 3.9017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1613 4.6837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3793 4.2870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7369 -4.0944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.3203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.5103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0910 -3.8763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9379 -4.1033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1648 -3.2563 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 9 1 0 0 0 0 1 24 1 0 0 0 0 2 27 1 0 0 0 0 3 16 1 0 0 0 0 3 19 1 0 0 0 0 4 19 2 0 0 0 0 7 22 1 0 0 0 0 7 29 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 8 17 1 0 0 0 0 9 18 1 0 0 0 0 9 45 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 10 49 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 11 30 1 0 0 0 0 12 14 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 15 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 21 23 2 0 0 0 0 21 25 1 0 0 0 0 23 26 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 27 2 0 0 0 0 25 50 1 0 0 0 0 26 28 2 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 28 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 M END $$$$