MMs02519568 MOE2007 2D CORINA 3.40 0006 02.08.2006 66 70 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 0.7410 1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2410 1.3146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2589 -1.2834 0.0000 C 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 4.4999 0.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2589 -1.2627 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6583 -2.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1932 -2.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7799 -3.6331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0737 -2.8742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7517 -1.4091 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.1869 -0.9732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2821 -1.9981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7551 -1.7146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5300 -0.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0297 -0.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7545 -1.7723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9797 -3.0567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4799 -3.0278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4550 -4.1230 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6818 -5.3014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0966 -3.4866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7834 -4.2115 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 7.0148 0.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4253 0.5781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8675 1.0339 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1306 2.5106 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9715 2.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9833 3.4769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2465 4.9536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0991 5.9199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5411 3.0211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6884 2.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0989 2.5653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3620 4.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2147 5.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8042 4.4978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7725 4.5526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9830 5.7339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1338 2.3393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8337 2.3579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8661 -2.3185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1662 -2.3372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2833 1.2115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6247 0.4494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8937 -4.4422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4919 -4.5990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3215 -3.4206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2124 -2.4954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6441 0.0970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1466 -0.2527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9501 0.6204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6496 0.5684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9543 -1.7954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5595 -4.1073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7391 0.6255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3814 2.4387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8564 3.8893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5832 1.4641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0168 1.7923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4252 6.1897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3453 4.8843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6569 5.4641 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 42 1 0 0 0 0 2 3 2 0 0 0 0 2 43 1 0 0 0 0 3 4 1 0 0 0 0 3 44 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 45 1 0 0 0 0 6 46 1 0 0 0 0 7 8 1 0 0 0 0 7 47 1 0 0 0 0 7 48 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 49 1 0 0 0 0 11 50 1 0 0 0 0 12 13 1 0 0 0 0 12 51 1 0 0 0 0 12 52 1 0 0 0 0 13 14 1 0 0 0 0 13 26 1 0 0 0 0 14 15 1 0 0 0 0 14 53 1 0 0 0 0 14 54 1 0 0 0 0 15 16 1 0 0 0 0 15 24 2 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 55 1 0 0 0 0 18 19 1 0 0 0 0 18 56 1 0 0 0 0 19 20 2 0 0 0 0 19 57 1 0 0 0 0 20 21 1 0 0 0 0 20 58 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 59 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 34 1 0 0 0 0 31 32 1 0 0 0 0 31 60 1 0 0 0 0 31 61 1 0 0 0 0 32 33 2 0 0 0 0 32 66 1 0 0 0 0 34 35 1 0 0 0 0 34 39 2 0 0 0 0 35 36 2 0 0 0 0 35 62 1 0 0 0 0 36 37 1 0 0 0 0 36 63 1 0 0 0 0 37 38 2 0 0 0 0 37 40 1 0 0 0 0 38 39 1 0 0 0 0 38 64 1 0 0 0 0 39 65 1 0 0 0 0 40 41 1 0 0 0 0 M CHG 1 66 -1 M END