MMs03715565 MOE2007 2D CORINA 3.40 0006 02.08.2006 62 62 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 0.0102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2588 -1.2837 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0588 -1.2837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5177 -2.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7588 -1.2735 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1588 -0.2342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5176 -2.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7765 -3.8715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 0.0307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8928 1.0658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9999 0.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7587 -1.2530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7410 1.3450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.5819 1.6556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1216 2.7111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2294 3.7224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5335 2.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2317 1.5120 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2429 0.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7891 -1.0256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7080 0.7260 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.3974 -0.4332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7193 -0.3819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1843 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2655 -1.8116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1618 2.1557 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3528 3.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6269 2.4775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6381 1.3697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0807 3.9072 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.3912 5.0663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0694 5.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0082 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0082 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2835 1.1905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6248 0.4283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4744 -1.9949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9248 -3.6311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5610 -3.1807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7176 -2.5592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0864 2.1041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4096 3.6771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3322 4.5193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9281 4.6980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0141 4.0808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6773 2.6182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5678 -1.2304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4418 -1.2321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3564 0.1974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9268 1.1120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1217 -1.4486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9024 -2.9554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4092 -2.1746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9557 5.8241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2604 5.9014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1831 4.2061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5457 4.2291 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 14.8032 3.0570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7178 4.4866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2882 5.4011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 37 1 0 0 0 0 2 38 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 39 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 8 9 2 0 0 0 0 8 42 1 0 0 0 0 10 11 1 0 0 0 0 10 12 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 16 1 0 0 0 0 14 19 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 27 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 59 1 0 0 0 0 33 56 1 0 0 0 0 33 57 1 0 0 0 0 33 58 1 0 0 0 0 59 60 1 0 0 0 0 59 61 1 0 0 0 0 59 62 1 0 0 0 0 M CHG 1 59 1 M END