MMs01075973 MOE2007 2D CORINA 3.40 0006 02.08.2006 53 56 0 0 0 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 0.7447 1.3021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2447 1.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2553 -1.2899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7553 -1.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.0183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2447 1.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7447 1.3265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4999 0.0306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4894 2.6286 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9893 2.6347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7446 1.3388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2446 1.3449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9893 2.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2340 3.9429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7340 3.9368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9787 5.2450 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 13.4893 2.6531 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2340 3.9552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7340 3.9613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4893 2.6653 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.7446 1.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2446 1.3571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9893 2.6714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7340 3.9735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7446 1.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1400 0.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2588 -0.9965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5548 -0.2412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2370 1.2247 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1405 2.3389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8404 2.3499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8595 -2.3266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1595 -2.3376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1154 1.7262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4482 2.5030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8851 3.6654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1489 0.2971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8488 0.3081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1298 4.9736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1047 4.3610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4376 5.1378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5208 5.1422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8599 4.3763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8739 0.9574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5410 0.1806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1186 0.9421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4578 0.1762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9673 -0.2516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1383 -2.1904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6530 -0.7248 0.0000 H 0 0 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 32 1 0 0 0 0 2 3 2 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 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 8 38 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 39 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 42 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 27 31 1 0 0 0 0 28 29 1 0 0 0 0 28 51 1 0 0 0 0 29 30 2 0 0 0 0 29 52 1 0 0 0 0 30 31 1 0 0 0 0 30 53 1 0 0 0 0 M END