MMs00170555 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 45 0 0 1 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 0.7502 -1.2989 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2502 -1.2987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0004 -2.5976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2506 -3.8968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0008 -5.1957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7506 -3.8970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0004 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4996 -2.5983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0008 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4676 -2.2855 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6241 -0.7937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2537 -0.1838 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5824 -3.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0090 -2.8253 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.6984 -3.9844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1238 -3.8288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5503 -3.3651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6652 -4.3686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3536 -5.8359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4684 -6.8394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8950 -6.3757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2066 -4.9084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0917 -3.9049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6331 -4.4446 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.3206 -1.3580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0391 0.6002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6002 1.0391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0391 -0.6002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0385 -4.5963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5990 -6.2355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0401 -5.7960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6633 -0.1936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6369 -4.0280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1460 -4.3485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1783 -4.5678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6874 -4.8883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7997 -2.1913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2124 -6.2069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2191 -8.0132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7869 -7.1785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3410 -2.7311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4618 -0.9870 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 8 1 0 0 0 0 3 4 2 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 2 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 2 0 0 0 0 12 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 26 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 42 1 0 0 0 0 26 43 1 0 0 0 0 M END