MMs03585848 MOE2007 2D CORINA 3.40 0006 02.08.2006 40 39 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 0.7508 1.2986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2508 1.2976 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4508 1.2976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0016 2.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5016 2.5952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 0.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2508 -1.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5016 -2.5971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7508 -1.2967 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3502 -0.2571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5016 -2.5952 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.1016 -1.5560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7525 -3.8947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5033 -5.1933 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.0016 -2.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7525 -3.8928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7508 -1.2948 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.2508 -1.2938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0000 0.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5000 0.0067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1274 -0.4111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2091 -1.1816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3765 1.7097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9599 2.4802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3993 -1.0408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2909 1.1826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6274 0.4121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8327 -3.1240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8337 -4.6667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9039 -6.2329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1502 -0.2559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0432 -2.4757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3787 -1.7035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2525 3.8957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.0019 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 -0.0027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2492 1.3043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8485 2.3439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8531 4.9345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 7 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 36 1 0 0 0 0 5 6 2 0 0 0 0 5 35 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 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 16 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 31 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 20 38 1 0 0 0 0 26 36 1 0 0 0 0 35 40 1 0 0 0 0 36 37 1 0 0 0 0 38 39 1 0 0 0 0 M END