VAMP - no title given 424.932 C1 C C C C C C C C C C C C C C N N N N N C C C C N C O C C C H H H H H H H H H H H H Cl H H H H H H H H H H H H H -0.066 -0.114 -0.142 -0.020 -0.106 -0.119 -0.021 -0.120 -0.071 -0.082 -0.010 -0.109 -0.152 -0.132 -0.111 -0.201 0.182 -0.051 -0.038 -0.404 -0.411 0.046 0.072 -0.139 -0.060 -0.341 -0.146 -0.160 -0.210 0.148 0.143 0.159 0.140 0.145 0.161 0.140 0.101 0.126 0.143 0.295 0.231 0.040 0.086 0.099 0.235 0.073 0.032 0.200 0.078 0.099 0.073 0.071 0.075 0.070 0.074 0.113 0.293 0.283 0.098 0.317 0.277 0.056 0.288 0.122 0.329 0.020 0.268 0.224 0.275 1.234 0.119 0.065 1.174 1.198 0.305 1.319 0.131 0.348 0.555 0.183 0.689 0.047 0.051 0.069 "" "" "" "" "" "" "" "" "" "" "" "" 0.210 "" "" "" "" "" "" "" "" "" "" "" "" "" -0.7891 -2.1776 -0.2634 0.1111 -3.0270 -1.1151 0.4139 0.6756 -2.5035 1.2622 -0.1323 1.5201 -3.4151 1.8112 -0.3883 -0.4933 -4.0868 -0.8647 -0.9403 -5.2184 -3.2995 -4.9669 -6.3961 -3.8560 -1.8448 -6.2828 -1.4367 0.0072 0.4254 -2.5993 0.8264 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-5.4455 -5.9524 142.57 127.09 126.19 138.62 128.43 129.08 128.01 125.57 136.48 127.00 182.64 130.74 63.22 129.08 "" "" "" "" "" 176.01 147.73 139.41 49.04 "" 36.04 "" 27.71 25.01 15.82 "" "" "" "" "" "" "" "" "" "" "" "" "" "" "" "" "" "" "" "" "" "" "" "" "" "" NAO-PC T=3600.0 AM1 2424.17 378 142.57 127.09 126.19 138.62 128.43 129.08 128.01 125.57 136.48 127.00 182.64 130.74 63.22 129.08 0.0 0.0 0.0 0.0 0.0 176.01 147.73 139.41 49.04 0.0 36.04 0.0 27.71 25.01 15.82 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 100.01 100.02 100.03 100.04 100.05 100.06 100.07 100.08 100.09 100.10 100.11 100.12 100.13 100.14 00.15 00.16 00.17 00.18 00.19 100.20 100.21 100.22 100.23 00.24 100.25 00.26 100.27 100.28 100.29 00.30 00.31 00.32 00.33 00.34 00.35 00.36 00.37 00.38 00.39 00.40 00.41 00.42 00.43 00.44 00.45 00.46 00.47 00.48 00.49 00.50 00.51 00.52 00.53 00.54 00.55 171.171894 -43417.679320 38326.748851 -5090.930470 0.383358 0.029577 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4.4441 4.4918 4.5258 4.5490 4.5974 4.6393 4.7779 4.8484 4.8724 4.8903 4.9252 4.9615 5.0215 5.0515 5.0811 5.1345 5.1366 5.2103 5.3113 5.3578 5.4350 5.4566 5.4749 5.5573 6.1129 6.1957 6.6182 7.5367 1.188 0.930 1.025 0.923 1.220 0.914 0.988 0.992 1.220 0.997 1.013 0.912 1.185 0.967 0.930 0.939 1.223 1.007 0.967 0.910 1.220 0.923 0.991 0.985 1.171 1.004 0.870 0.976 1.219 0.968 0.956 0.977 1.198 0.927 1.007 0.939 1.221 0.937 0.975 0.948 1.257 0.984 0.954 0.815 1.220 0.964 0.987 0.938 1.247 0.993 0.938 0.974 1.219 0.997 0.923 0.992 1.789 1.168 0.959 1.195 1.500 1.471 1.115 1.114 1.481 1.126 1.073 1.139 1.790 1.111 1.176 0.974 1.804 1.153 0.963 1.118 1.225 0.949 1.051 1.178 1.337 1.032 0.810 1.233 1.217 0.947 0.883 0.906 1.203 0.916 0.871 0.938 1.482 1.170 1.294 1.192 1.202 0.898 0.973 0.987 1.872 1.964 1.315 1.189 1.217 0.951 0.957 1.021 1.216 0.966 0.972 1.006 1.224 1.008 0.965 1.014 0.852 0.857 0.841 0.860 0.855 0.839 0.860 0.899 0.874 0.857 0.705 0.769 1.981 1.663 1.870 1.446 0.914 0.901 0.765 0.927 0.968 0.800 0.922 0.901 0.927 0.929 0.925 0.930 0.926 4.623 0.548 -3.744 -2.655 1.899 1.150 -1.490 0.253 6.004 1.698 -5.234 -2.403 50.46 -3.62 2.68 -3.62 54.01 2.87 2.68 2.87 61.58 -0.80 -0.54 0.26 0.58 -0.80 0.14 -0.13 -0.26 -0.96 47.20 56.12 62.73 55.35 0.000 1.989 -5.223 -2.222 6.015 14.234 -13.887 -0.102 -13.887 -10.927 -12.096 -0.102 -12.096 -3.307 MY_MOL:1SPECTRUM:1 MY_MOL:2SPECTRUM:2 MY_MOL:3SPECTRUM:3 MY_MOL:4SPECTRUM:4 MY_MOL:5SPECTRUM:5 MY_MOL:6SPECTRUM:6 MY_MOL:7SPECTRUM:7 MY_MOL:8SPECTRUM:8 MY_MOL:9SPECTRUM:9 MY_MOL:10SPECTRUM:10 MY_MOL:11SPECTRUM:11 MY_MOL:12SPECTRUM:12 MY_MOL:13SPECTRUM:13 MY_MOL:14SPECTRUM:14 MY_MOL:15SPECTRUM:15 MY_MOL:16SPECTRUM:16 MY_MOL:17SPECTRUM:17 MY_MOL:18SPECTRUM:18 MY_MOL:19SPECTRUM:19 MY_MOL:20SPECTRUM:20 MY_MOL:21SPECTRUM:21 MY_MOL:22SPECTRUM:22 MY_MOL:23SPECTRUM:23 MY_MOL:24SPECTRUM:24 MY_MOL:25SPECTRUM:25 MY_MOL:26SPECTRUM:26 MY_MOL:27SPECTRUM:27 MY_MOL:28SPECTRUM:28 MY_MOL:29SPECTRUM:29 MY_MOL:30SPECTRUM:30 MY_MOL:31SPECTRUM:31 MY_MOL:32SPECTRUM:32 MY_MOL:33SPECTRUM:33 MY_MOL:34SPECTRUM:34 MY_MOL:35SPECTRUM:35 MY_MOL:36SPECTRUM:36 MY_MOL:37SPECTRUM:37 MY_MOL:38SPECTRUM:38 MY_MOL:39SPECTRUM:39 MY_MOL:30SPECTRUM:30 MY_MOL:31SPECTRUM:31 MY_MOL:32SPECTRUM:32 MY_MOL:33SPECTRUM:33 MY_MOL:34SPECTRUM:34 MY_MOL:35SPECTRUM:35 MY_MOL:36SPECTRUM:36 MY_MOL:37SPECTRUM:37 MY_MOL:30SPECTRUM:30 MY_MOL:41SPECTRUM:41 MY_MOL:42SPECTRUM:42 MY_MOL:43SPECTRUM:43 MY_MOL:44SPECTRUM:44 MY_MOL:45SPECTRUM:45 MY_MOL:46SPECTRUM:46 MY_MOL:47SPECTRUM:47 MY_MOL:48SPECTRUM:48 MY_MOL:49SPECTRUM:49 MY_MOL:48SPECTRUM:48 MY_MOL:49SPECTRUM:49 MY_MOL:50SPECTRUM:50 MY_MOL:51SPECTRUM:51 MY_MOL:52SPECTRUM:52 MY_MOL:53SPECTRUM:53 MY_MOL:54SPECTRUM:54 MY_MOL:55SPECTRUM:55