MMs01386576 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 -0.7387 1.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0225 2.5980 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5224 2.5850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2611 1.2795 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4999 -0.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2836 3.8775 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7836 3.8645 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7965 5.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7706 2.3646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2835 3.8516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0447 5.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5446 5.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2834 3.8256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5222 2.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0222 2.5461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7833 3.8127 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5445 5.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8058 6.4106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0445 5.0922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8057 6.3847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0669 7.6902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8281 8.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3281 8.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0668 7.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3056 6.3717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5668 7.6513 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 15.0893 10.2622 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.6090 -1.0340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9387 1.3158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0909 -1.0573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6926 4.9219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4537 6.1885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1536 6.1651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1132 1.4888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4133 1.5121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3743 2.7683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8259 3.9123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1685 4.6720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8670 7.7006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2372 10.0271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8966 5.3274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 25 2 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 42 1 0 0 0 0 M END