MMs01726335 MOE2007 2D CORINA 3.40 0006 02.08.2006 57 60 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 -0.7393 1.3051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2393 1.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9999 0.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2606 -1.2805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7606 -1.2928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4998 0.0369 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.8998 -1.0023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2605 -1.2559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5212 -2.5611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7604 -1.2436 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5211 -2.5365 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.1211 -1.4972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9731 -2.9128 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -9.2837 -1.7537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5968 -4.3648 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 -3.9885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8519 -4.7491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6661 -5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1117 -5.0166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4881 -3.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4187 -2.5127 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -12.1811 -6.0686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6267 -5.6685 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -14.6960 -6.7204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1417 -6.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.5180 -4.8683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4487 -3.8163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0030 -4.2164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.9637 -4.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.0330 -5.5201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -18.3400 -3.0161 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.2897 -6.8688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3591 -7.9207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2392 1.3421 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.5443 0.6027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9340 2.0814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -0.0098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1308 2.3394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8307 2.3616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8691 -2.3148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1692 -2.3370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3519 -0.1995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5798 -4.0628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1683 -2.5760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2038 -6.7649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6971 -7.1519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3950 -7.8820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9972 -7.1618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7498 -2.6547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1476 -3.3749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.4846 -2.1746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.4965 -2.6961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8441 -7.2689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9785 2.6472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3700 3.6815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5430 -8.4305 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 38 1 0 0 0 0 2 3 2 0 0 0 0 2 39 1 0 0 0 0 3 4 1 0 0 0 0 3 40 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 41 1 0 0 0 0 6 42 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 35 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 43 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 17 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 16 19 1 0 0 0 0 17 18 2 0 0 0 0 19 20 2 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 27 28 2 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 52 1 0 0 0 0 32 53 1 0 0 0 0 33 34 2 0 0 0 0 33 54 1 0 0 0 0 35 36 2 0 0 0 0 35 37 2 0 0 0 0 35 55 1 0 0 0 0 54 57 1 0 0 0 0 55 56 1 0 0 0 0 M CHG 1 24 1 M END