MMs02504094 MOE2007 2D CORINA 3.40 0006 02.08.2006 52 53 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 0.3471 -1.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8064 -1.1121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6943 -2.9186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1121 -1.8064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5411 -3.2438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1424 -0.7162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6017 -1.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6320 0.0269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0912 -0.3203 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -6.4384 1.1390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5505 -0.6674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5808 0.4228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0401 0.0756 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -9.7295 1.2347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6170 -1.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1121 -1.1882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4592 0.2711 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -12.4592 1.4711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1787 1.0522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.8439 0.8480 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.0366 2.3356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4212 2.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.6131 2.0018 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -16.9237 3.1609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4204 0.5142 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.0358 -0.0627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8431 -1.5503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5837 0.1389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2777 1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1674 -0.2777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9453 -1.6959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9738 -0.8344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6676 -0.5284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4731 -3.1963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9720 -4.0860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2780 -2.7797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1255 -2.1648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6037 -1.7236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5788 1.0830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0570 1.5242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4671 -1.6522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8381 -2.4884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0832 -2.3878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3022 -1.3424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0830 3.0641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5753 4.1025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.3739 -0.2143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7441 -1.7796 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -17.9977 2.5787 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -18.1519 3.7687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.9513 1.8502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 4 37 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 8 9 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 10 49 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 21 27 1 0 0 0 0 22 23 2 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 50 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 M CHG 1 49 -1 M END