MMs02450348 MOE2007 2D CORINA 3.40 0006 02.08.2006 62 64 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 1.5000 0.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2548 -1.2907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2452 1.3073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7452 1.3129 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1452 0.2737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.0166 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1000 -1.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 0.0222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7452 1.3240 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3452 2.3632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9904 2.6202 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3904 3.6595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4904 2.6147 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2904 2.6147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7356 3.9109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2356 3.9054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4808 5.2017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4904 2.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7355 3.9220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9808 5.2183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4808 5.2128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7259 6.5201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2451 1.3295 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1223 2.5463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5506 2.0881 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5562 0.5881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1313 0.1193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8249 -1.3491 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9433 -2.3487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3681 -1.8799 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6746 -0.4115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0994 0.0573 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4059 1.5257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2179 -0.9423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6368 -3.8170 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.7553 -4.8166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7548 -1.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5096 -2.5814 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.0096 -2.5759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7644 -3.8832 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0044 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0044 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4489 3.1998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8942 1.5622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5318 2.0074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7674 5.9239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3221 7.5615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6845 7.1163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7473 3.6862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5806 1.2805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6510 2.7003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2312 1.7708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4182 -1.8370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1126 -1.7419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0175 -0.0475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9556 -5.7113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6500 -5.6163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5549 -3.9219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8327 -0.5172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8384 -2.0599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 42 1 0 0 0 0 1 43 1 0 0 0 0 1 44 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 7 1 0 0 0 0 5 14 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 38 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 24 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 20 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 24 28 1 0 0 0 0 25 26 2 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 36 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 34 52 1 0 0 0 0 34 53 1 0 0 0 0 34 54 1 0 0 0 0 35 55 1 0 0 0 0 35 56 1 0 0 0 0 35 57 1 0 0 0 0 36 37 1 0 0 0 0 37 58 1 0 0 0 0 37 59 1 0 0 0 0 37 60 1 0 0 0 0 38 39 1 0 0 0 0 38 61 1 0 0 0 0 38 62 1 0 0 0 0 39 40 2 0 0 0 0 39 41 1 0 0 0 0 M CHG 1 39 1 M CHG 1 41 -1 M END