MMs01644229 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 0.7420 -1.3036 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3420 -0.2644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2420 -1.3128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9840 -2.6165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 -0.0184 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 -0.0277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2579 1.2668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7579 1.2575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4999 -0.0461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7419 -1.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2419 -1.3313 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9998 -0.0553 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 -2.5980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5159 -2.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2579 -1.2852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2739 -3.8832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5319 -5.1868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2899 -6.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7898 -6.4720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5318 -5.1684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7739 -3.8740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0318 -5.1592 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7898 -6.4536 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.4954 -7.2116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0842 -5.6956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5478 -7.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0429 0.5936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5936 1.0429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0429 -0.5936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4063 1.0245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6643 2.3097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3642 2.2931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3355 -2.3834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3319 -5.1942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6963 -7.5241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3962 -7.5075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3675 -2.8311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6254 -4.1163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5833 -7.1416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1541 -8.7835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5122 -8.3544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 14 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 24 25 2 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 27 40 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 M END