MMs02391097 MOE2007 2D CORINA 3.40 0006 02.08.2006 64 68 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 0.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2525 -1.2947 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5050 -2.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2575 -3.8928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7475 -1.3005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2475 -1.3034 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7525 -1.2918 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.1525 -0.2526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6318 -0.0766 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.4804 0.7719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0593 -0.5374 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.2184 -0.8479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0622 -2.0374 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.7516 -3.1965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6365 -2.5036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2774 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6466 -2.3040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8618 -3.1833 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -10.7411 -1.9681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.0770 -4.0626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.4461 -3.4499 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -12.4461 -4.6499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7552 -1.9821 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -13.3552 -0.9428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2467 -1.8224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.8594 -3.1915 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -15.1700 -4.3506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7466 -4.1974 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -13.1466 -5.2366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9063 -5.6889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.0035 -6.1748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3272 -3.5006 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -16.9400 -4.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.4315 -4.7100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -18.7405 -3.2422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.4400 -2.4947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.4371 -0.9947 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -21.0733 -0.3877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.7347 -0.2422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.0352 -0.9897 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -20.0381 -2.4897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.3386 -3.2372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -18.7318 1.2578 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.7493 -0.8693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2101 0.5582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.4054 1.4484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2711 0.3467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1434 1.5398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1656 1.3491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9668 2.2424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 1.0381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0980 1.0433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8455 -2.3438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8495 -0.2653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4158 -3.7519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9504 -3.9102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3420 -5.9101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.6914 1.8558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.7699 1.8598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3809 -1.3428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6887 -0.3080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9824 -4.3985 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 7 1 0 0 0 0 1 53 1 0 0 0 0 2 3 1 0 0 0 0 2 54 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 55 1 0 0 0 0 8 56 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 17 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 51 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 49 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 18 57 1 0 0 0 0 18 58 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 20 64 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 30 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 46 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 34 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 34 35 1 0 0 0 0 34 38 1 0 0 0 0 35 36 2 0 0 0 0 35 59 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 43 1 0 0 0 0 38 39 1 0 0 0 0 39 41 2 0 0 0 0 40 42 1 0 0 0 0 41 42 1 0 0 0 0 41 45 1 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 45 60 1 0 0 0 0 45 61 1 0 0 0 0 46 47 1 0 0 0 0 46 62 1 0 0 0 0 46 63 1 0 0 0 0 47 48 1 0 0 0 0 49 50 1 0 0 0 0 51 52 1 0 0 0 0 M CHG 1 64 -1 M END