MMs02617579 MOE2007 2D CORINA 3.40 0006 02.08.2006 52 55 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 0.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2579 -1.2852 0.0000 C 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 0.0159 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 -1.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4388 -4.0274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8054 -4.6459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9530 -6.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7341 -7.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6325 -6.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7801 -4.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9882 -4.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4176 -4.4673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5261 -3.4568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9555 -3.9115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2764 -5.3768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0641 -2.9010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4935 -3.3558 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.1829 -2.1967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8143 -4.8211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2437 -5.2758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3523 -4.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7817 -4.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1025 -6.1853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9940 -7.1959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5646 -6.7411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4561 -7.7516 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 14.5320 -6.6401 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 13.8902 -3.7095 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.6020 -2.3453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2811 -0.8800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3897 0.1305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6064 1.0355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0936 1.0521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4579 -1.2778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9420 -1.3110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7805 -3.9466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0462 -6.6335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8522 -8.2070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6076 -7.0937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2988 -5.1716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8607 -5.5303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3677 -5.2003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8074 -1.7288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6153 -4.8703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6546 -6.0104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0956 -3.0931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2507 -8.3681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2441 -3.3590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7118 -1.8889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8517 -0.4252 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 34 1 0 0 0 0 2 3 2 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 4 5 2 0 0 0 0 4 13 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 37 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 38 1 0 0 0 0 9 10 1 0 0 0 0 9 39 1 0 0 0 0 10 11 2 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 16 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 45 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 31 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 30 1 0 0 0 0 25 26 2 0 0 0 0 25 29 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 31 32 1 0 0 0 0 31 50 1 0 0 0 0 31 51 1 0 0 0 0 32 33 2 0 0 0 0 32 52 1 0 0 0 0 M CHG 1 52 -1 M END