MMs02043399 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 45 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 -0.6554 -1.3492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0509 -2.6725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9893 -3.7532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3386 -3.0978 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1322 -1.6121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2129 -0.5718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8523 0.8842 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9330 1.9245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3742 1.5087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7348 0.0527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6541 -0.9876 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2309 -0.0543 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.7951 1.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2511 1.6961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6476 2.3015 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7332 3.4985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0238 -1.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3175 -2.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1103 -3.9243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6095 -3.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3158 -2.5511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5230 -1.2777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2293 0.0456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.7285 0.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 3.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1312 3.7963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6531 4.4207 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0794 -0.5243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5243 1.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0794 0.5243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2395 -2.8376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7791 -4.9346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1181 -2.6909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5452 -4.9830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2438 -4.8930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5151 -2.5111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6885 1.2948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9278 0.1355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7684 -1.1038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3647 5.5856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8061 4.0881 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 6 2 0 0 0 0 3 4 2 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 10 11 2 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 21 22 2 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 41 1 0 0 0 0 28 42 1 0 0 0 0 M END