MMs00482372 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 42 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 1.5000 -0.0088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2576 1.2858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2424 -1.3122 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8424 -2.3514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4848 -2.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0152 -2.5980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7423 -1.3210 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 -0.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7575 1.2771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9999 -0.0351 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1999 -0.0351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7575 1.2595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2575 1.2507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0151 2.5453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5150 2.5365 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2726 3.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7726 3.8224 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 13.3665 2.7796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3787 4.8581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0070 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0070 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 1.0304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2933 0.6798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8636 2.3215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2219 1.8919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3362 -2.3637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6323 1.6765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9728 2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0422 0.0702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3827 0.8337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8899 2.9623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2304 3.7258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1089 1.4938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2271 -3.9102 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.5303 5.1346 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1363 6.1703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3303 5.1416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7423 -1.3386 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.6995 -1.9325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3362 -2.3813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7850 -0.7447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 24 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 6 7 2 0 0 0 0 6 36 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 40 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 17 18 2 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 40 43 1 0 0 0 0 M CHG 1 18 1 M CHG 1 36 -1 M CHG 1 40 1 M END