MMs03090341 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 43 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 1.5000 -0.0073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2437 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7436 -1.3173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 -0.0219 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3485 0.8266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7953 -0.7782 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3953 -1.8174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0390 -2.0736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4202 -3.5243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2461 -0.3970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3016 -1.4628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9063 -2.9098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7523 -1.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8078 -2.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2586 -1.7663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3141 -2.8321 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.1626 -3.6806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7648 -2.4509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1601 -1.0039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7563 1.2808 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2563 1.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4873 -2.6053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0126 -2.5980 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0058 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0058 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5623 0.7606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2505 0.0084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7386 -0.3981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8215 -2.8310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3097 -3.2375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7567 -0.6763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2449 -1.0828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1307 1.7040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4704 2.4688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8203 -3.5167 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 12.9188 -4.2791 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 11.7612 -3.9628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6026 -5.4367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0764 -4.5953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2310 -3.9080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 21 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 9 10 2 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 38 1 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 21 22 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 23 24 1 0 0 0 0 23 42 2 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 38 41 1 0 0 0 0 M CHG 1 24 -1 M CHG 1 37 -1 M CHG 1 38 1 M END