MMs00884210 MOE2007 2D CORINA 3.40 0006 02.08.2006 54 58 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 0.7583 1.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2416 1.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 0.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7416 1.3231 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4999 0.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9999 0.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7415 1.3423 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9832 2.6365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4833 2.6269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2415 1.3519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9998 0.0577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9832 2.6557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2248 3.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9665 5.2537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4665 5.2634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2248 3.9692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4831 2.6653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7248 3.9788 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.4831 2.6846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9758 2.5373 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.2971 1.0721 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -16.3363 1.6721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4182 0.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8169 -1.2986 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -15.8200 -2.7986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.1488 -1.9885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.3242 -1.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0029 0.3138 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -12.9637 -0.2862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8818 1.3104 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -11.2081 6.5672 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.5933 -1.0431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9583 1.2865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6233 3.6334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1066 -1.0257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3749 -0.3888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7159 -1.1516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7991 -1.1446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1301 -0.3647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1082 3.0541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7673 3.8169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3530 3.0301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6841 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0249 3.9422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3599 6.2891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0898 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3181 5.0218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1173 1.0509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.4613 -0.5177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3318 -2.3513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1316 -1.2844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4833 2.6076 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 35 1 0 0 0 0 3 36 1 0 0 0 0 3 54 2 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 4 54 1 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 44 1 0 0 0 0 11 45 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 19 2 0 0 0 0 15 16 2 0 0 0 0 15 46 1 0 0 0 0 16 17 1 0 0 0 0 16 47 1 0 0 0 0 17 18 2 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 20 49 1 0 0 0 0 21 22 2 0 0 0 0 21 32 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 30 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 27 2 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 29 30 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 M END