MMs01880465 MOE2007 2D CORINA 3.40 0006 02.08.2006 61 61 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 0.7472 -1.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0056 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2472 -1.3039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.0065 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6000 1.0328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2528 1.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0056 2.5916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.0097 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2472 -1.3103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4944 -2.6078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7472 -1.3136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1472 -2.3528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4944 -2.6142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9944 -2.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7472 -1.3200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3472 -0.2808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 -0.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 -0.0162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2472 -1.3233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9944 -2.6239 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4944 -2.6271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2472 -1.3297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2416 -3.9278 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.8416 -4.9670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7416 -3.9310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9416 -3.9310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4944 -2.6336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4888 -5.2317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0405 0.5978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5978 1.0405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0405 -0.5978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4528 -1.3007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0435 -1.9958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6078 -3.6360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0323 -3.2003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0363 -2.4852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3739 -1.7167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1022 1.0282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3659 -3.0222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7002 -3.7964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7835 -3.7988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1211 -3.0303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1285 0.3886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7941 1.1628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3732 0.3967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7109 1.1652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0413 -0.1410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3757 -0.9153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3921 -3.6619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5323 -3.2358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0966 -1.5957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4564 -2.0314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4483 -5.8294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0865 -6.2722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5293 -4.6339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2888 -5.2226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7528 1.2974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4888 -5.2252 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0865 -6.2657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1550 2.3379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 58 1 0 0 0 0 9 10 1 0 0 0 0 9 39 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 59 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 57 59 1 0 0 0 0 58 61 1 0 0 0 0 59 60 1 0 0 0 0 M END