MMs01391519 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 44 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -0.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2415 -1.3136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7415 -1.3233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 -0.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7583 1.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2584 1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9999 -0.0388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7583 1.2553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0167 2.5592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2582 1.2456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1320 0.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5616 0.4807 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5713 1.9806 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1478 2.4534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6935 3.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2283 4.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7740 5.6339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7849 6.7421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2501 6.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7044 4.9911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3306 8.1716 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 11.7694 -0.4088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1436 0.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3514 -0.6971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5592 -1.5867 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0078 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0078 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6348 -2.3489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3348 -2.3664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3650 2.3101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6651 2.3275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7538 -1.1125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4196 3.3177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6019 5.8909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0588 7.3073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8765 4.7341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9008 -1.2368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4340 -1.4080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4791 1.1915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0122 1.0204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 23 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 25 26 3 0 0 0 0 M END