MMs02956139 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 1.5000 -0.0038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2467 -1.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2533 1.2933 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8533 2.3325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5067 2.5942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2600 3.8913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7533 1.2894 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3560 2.3271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.0115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7467 -1.3086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -0.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7533 1.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2533 1.2779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0066 2.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5066 2.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2533 1.2702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5000 -0.0269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 -0.0231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7533 1.2664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5066 2.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7466 -1.3163 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9933 -2.6134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4933 -2.6096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7400 -3.9144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2400 -3.9182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9867 -5.2192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2333 -6.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7333 -6.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9867 -5.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4867 -5.2077 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.0031 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0031 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 -1.0431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2059 -1.9021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8440 -2.3456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2874 -0.7075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1560 2.3225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4093 3.6158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1093 3.6089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0973 -1.0677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3973 -1.0607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5443 1.9608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1093 3.6012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4689 3.1661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9466 -1.3194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8426 -2.8805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1867 -5.2223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8307 -7.5571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1307 -7.5502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0067 2.5981 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 35 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 6 7 2 0 0 0 0 6 52 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 48 1 0 0 0 0 27 28 1 0 0 0 0 27 49 1 0 0 0 0 28 29 2 0 0 0 0 28 50 1 0 0 0 0 29 30 1 0 0 0 0 29 51 1 0 0 0 0 30 31 1 0 0 0 0 M CHG 1 52 -1 M END