MMs00548633 MOE2007 2D CORINA 3.40 0006 02.08.2006 41 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 1.4999 -0.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2387 -1.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7387 -1.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4998 -0.0388 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9697 0.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1756 -0.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5511 -0.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7207 1.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5149 2.3490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1393 1.7508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7743 2.3727 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7611 1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2611 1.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5223 2.5850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7836 3.8905 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4774 -2.6368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4775 -2.6109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0224 -2.5980 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7612 -1.2925 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2611 -1.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9999 0.0259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4998 0.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2610 -1.2537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5222 -2.5592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0223 -2.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2834 -3.8517 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0103 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0103 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0398 -1.8240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5158 -0.7471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8212 1.9355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6506 3.5413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8685 -3.6708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0686 -3.6553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4567 -0.7755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3909 1.0599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0908 1.0832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4610 -1.2434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4313 -3.6165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 14 2 0 0 0 0 3 4 2 0 0 0 0 3 18 1 0 0 0 0 4 5 1 0 0 0 0 4 17 1 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 9 10 2 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 3 0 0 0 0 17 35 1 0 0 0 0 18 19 2 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 37 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 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 24 25 2 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 41 1 0 0 0 0 M END