MMs03078702 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 1.5000 -0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2589 1.2834 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8589 2.3226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5180 2.5876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 2.5980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 -0.0312 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0999 1.0080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7409 -1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4819 -2.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7229 -3.9230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2229 -3.9126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9999 -0.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7588 1.2522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7590 -1.2938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0179 -2.5772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5179 -2.5668 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.1107 -1.5235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1251 -3.6019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2770 -3.8814 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8841 -4.9165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0770 -3.8897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2166 1.1803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1248 0.4182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2834 -1.1907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0623 -0.2195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2840 -0.9361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8163 -2.0900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4065 -1.8642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3958 -3.4069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3658 -1.7120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9755 -2.4741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2770 3.8814 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7589 1.2730 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.5587 2.4562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8894 1.6756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4639 -5.2272 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.7408 -1.3458 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.2589 -1.2834 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8517 -0.2401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 15 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 34 1 0 0 0 0 5 6 2 0 0 0 0 5 33 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 7 34 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 2 0 0 0 0 11 37 1 0 0 0 0 13 14 2 0 0 0 0 13 38 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 15 39 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 39 40 1 0 0 0 0 M CHG 1 17 1 M CHG 1 33 -1 M CHG 1 34 1 M CHG 1 37 -1 M CHG 1 38 -1 M END