MMs03119643 MOE2007 2D CORINA 3.40 0006 02.08.2006 53 54 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 1.3000 0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8981 0.7449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4962 0.7415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 -0.0102 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0942 0.7381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0962 2.2381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 -0.0136 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.5438 -0.8621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5471 -1.5056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0140 -1.8194 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.7656 -0.5213 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.3656 -1.5605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7634 0.5947 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0772 2.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5044 2.5232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9638 3.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2776 4.5335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1642 5.5387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2576 -0.3665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8695 1.0031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3615 1.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2416 -0.0568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6297 -1.4263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1377 -1.5811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5258 -2.9507 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5986 1.0400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0400 -0.5986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5986 -1.0400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5299 1.6686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0726 1.6665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8255 -0.9216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3682 -0.9237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1279 1.6652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6706 1.6631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4236 -0.9250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9663 -0.9271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7260 1.6618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2687 1.6598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7927 -1.2102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3471 -1.5040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4201 -2.6988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3266 2.0499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8518 3.5177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9683 6.4294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2734 6.3428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3601 4.6479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1655 1.9748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8510 2.2535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4352 0.0671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3338 -2.3980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 5 39 1 0 0 0 0 6 7 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 42 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 22 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 21 49 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 50 1 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 25 26 2 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 26 53 1 0 0 0 0 27 28 1 0 0 0 0 M END