MMs02496378 MOE2007 2D CORINA 3.40 0006 02.08.2006 68 70 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 1.4851 0.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4104 -0.9694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8955 -0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4552 0.6334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5298 1.8139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0448 1.6028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9403 0.8445 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.7292 2.3296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1514 -0.6406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4253 1.0556 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4690 -0.0217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8162 0.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6051 2.1230 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1274 2.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1417 -0.0641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4125 0.7328 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.3733 1.3328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7381 0.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0089 0.8276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7928 -1.4683 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6123 -2.3937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1275 -3.8024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6265 -3.7477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0377 -2.3052 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.8862 -3.1537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4464 -1.7899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7045 -0.3123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5970 -2.7522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0057 -2.2370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3578 2.2318 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6286 3.0287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9541 2.3266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5739 4.5277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8447 5.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6416 4.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0478 6.5954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1155 6.1215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1689 1.1881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1881 -0.1689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1689 -1.1881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9627 -2.0828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6358 -1.7027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9776 2.9272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3045 2.5472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2625 -1.2038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5997 3.4589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4044 -1.0109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5439 -0.5094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2935 -1.8854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5345 -2.9215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9636 -4.0946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2964 -4.9905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5447 -4.9449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8086 -3.9542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4180 -3.3639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1327 -1.8247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5935 -1.1100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2974 2.7934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6249 3.4162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2791 3.0371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1499 4.3725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5561 6.9141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4103 7.6120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0311 5.9578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4342 5.6131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1321 6.7590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7967 6.6298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 42 1 0 0 0 0 4 5 1 0 0 0 0 4 43 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 44 1 0 0 0 0 7 45 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 15 1 0 0 0 0 12 13 2 0 0 0 0 12 46 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 2 0 0 0 0 15 47 1 0 0 0 0 16 17 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 31 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 24 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 25 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 31 32 1 0 0 0 0 31 59 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 38 1 0 0 0 0 36 60 1 0 0 0 0 36 61 1 0 0 0 0 36 62 1 0 0 0 0 37 63 1 0 0 0 0 37 64 1 0 0 0 0 37 65 1 0 0 0 0 38 66 1 0 0 0 0 38 67 1 0 0 0 0 38 68 1 0 0 0 0 M END