MMs03429861 MOE2007 2D CORINA 3.40 0006 02.08.2006 58 58 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 1.4999 -0.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2387 -1.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7387 -1.3313 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4775 -2.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7163 -3.9293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9774 -2.6497 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3774 -3.6889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7386 -1.3571 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3386 -0.3179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2385 -1.3701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9773 -2.6755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9997 -0.0775 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4086 0.9668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4996 -0.0905 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.6996 -0.0905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2384 -1.3959 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.8384 -2.4351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7383 -1.4088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4772 -2.6884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2160 -3.9939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2608 1.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7607 1.1892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5220 2.5075 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0316 2.6772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7324 4.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0378 4.8858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1439 3.8725 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.4545 5.0316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6137 4.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0895 5.5943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9998 -0.0517 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.7162 -3.9551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0103 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0103 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3018 1.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6311 0.3878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1076 -1.7191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4369 -2.5019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3476 -0.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7280 -2.6088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9383 -1.4192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7487 -0.2089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5647 -1.9092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5514 -3.4518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1716 -4.5849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8070 -5.0382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2604 -3.4029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0213 1.4772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8372 2.5620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5880 3.7860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2538 5.2474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3409 5.8627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9365 5.6810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7998 -0.0414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1072 -4.9891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6078 3.0484 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 37 1 0 0 0 0 2 38 1 0 0 0 0 3 4 1 0 0 0 0 3 39 1 0 0 0 0 3 40 1 0 0 0 0 4 5 1 0 0 0 0 4 41 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 33 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 32 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 22 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 20 46 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 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 27 28 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 30 31 2 0 0 0 0 30 58 1 0 0 0 0 32 56 1 0 0 0 0 33 57 1 0 0 0 0 M CHG 1 58 -1 M END