MMs00485294 MOE2007 2D CORINA 3.40 0006 02.08.2006 50 50 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 -0.3828 1.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8689 -1.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0255 -2.4269 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.3333 -3.5720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4471 -1.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4253 -2.6435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4314 -0.4485 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3947 0.2670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3688 -1.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1324 0.0526 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.7324 1.0918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3961 1.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8962 1.3752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6323 0.0368 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3686 -1.2700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6050 -2.5611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8685 -1.2858 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.0685 -1.2858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6048 -2.5926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8412 -3.8837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5775 -5.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8139 -6.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6322 0.0053 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.1321 -0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8684 -1.3173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8957 1.2806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1480 -2.4180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4920 -1.6607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2432 1.0697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5322 -1.8310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5159 -3.3736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9301 -3.1028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9139 -4.6454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5048 -4.4289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4886 -5.9715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9028 -5.7007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8866 -7.2433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0431 1.0508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7724 1.7029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1165 2.4601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1597 2.6505 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -7.5502 -7.7885 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -8.5957 -7.1995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1393 -8.8340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5047 -8.3776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3956 1.2648 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -11.4082 2.4648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5955 1.2522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3830 0.0649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 8 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 10 11 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 13 14 2 0 0 0 0 13 42 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 24 1 0 0 0 0 20 21 1 0 0 0 0 20 31 1 0 0 0 0 20 32 1 0 0 0 0 21 22 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 22 23 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 40 1 0 0 0 0 27 41 1 0 0 0 0 27 47 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 43 46 1 0 0 0 0 47 48 1 0 0 0 0 47 49 1 0 0 0 0 47 50 1 0 0 0 0 M CHG 1 4 1 M CHG 1 42 -1 M CHG 1 43 1 M CHG 1 47 1 M END