MMs02188131 MOE2007 2D CORINA 3.40 0006 02.08.2006 48 49 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 -0.7579 -1.2944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0158 -2.5980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2579 -1.2853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9999 0.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4999 0.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2420 1.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7420 1.3402 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4999 0.0458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.3484 -0.8028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7943 0.8037 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -9.3943 1.8429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0364 2.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4158 3.5493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2455 0.4243 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.2997 1.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9026 2.9379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.7509 1.1120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8051 2.1791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2563 1.7997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3105 2.8668 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -17.1590 3.7154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.7617 2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.1588 1.0410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7578 -1.2578 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.2578 -1.2670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4841 2.6255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9841 2.6163 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0356 -0.6063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6063 1.0356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0356 0.6063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8698 0.4218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2011 1.2013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5632 -0.7329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2504 0.0214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7381 0.4297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8179 2.8614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3056 3.2698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7558 0.7091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2435 1.1175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1327 -1.6843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4734 -2.4475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.8159 3.5546 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -15.9134 4.3133 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -14.7562 3.9957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5958 5.4705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0706 4.6310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2261 3.9291 0.0000 O 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 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 7 2 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 25 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 13 14 2 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 44 1 0 0 0 0 23 24 2 0 0 0 0 23 43 1 0 0 0 0 25 26 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 27 28 1 0 0 0 0 27 48 2 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 44 47 1 0 0 0 0 M CHG 1 28 -1 M CHG 1 43 -1 M CHG 1 44 1 M END