0 mol 7 unq 0 iso 0 dist 6.22892 15.5737 9.68596 10.9229 5.03847 6.14469 16.6592 10.6581 6.55304 6.02702 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 6.22892 15.5737 9.68596 10.9229 5.03847 6.14469 14.6751 10.5461 6.34041 8.72114 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 5.83658 4.91115 6.02702 9.89388 6.55304 6.14469 10.826 9.60499 8.43473 6.7985 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 5.83658 4.91115 6.02702 9.89388 6.55304 6.14469 7.49389 10.6581 5.03847 9.68596 numMergedOcc 0
4 mol 7 unq 4 iso 0 dist 6.22805 13.6771 8.72114 12.0954 6.34041 6.14469 17.302 11.0773 8.43473 6.7985 numMergedOcc 0
5 mol 7 unq 5 iso 0 dist 6.22805 13.6771 8.72114 12.0954 6.34041 6.14469 15.2825 10.5461 5.03847 9.68596 numMergedOcc 0
6 mol 9 unq 0 iso 0 dist 9.4523 14.5187 8.64915 14.1991 4.98827 7.35972 22.3476 13.3648 16.147 9.62394 numMergedOcc 0
7 mol 9 unq 1 iso 0 dist 9.4523 10.6489 8.17347 14.1991 4.98827 9.93542 22.3476 13.3648 19.4709 9.62394 numMergedOcc 0
8 mol 11 unq 0 iso 0 dist 6.40513 4.54105 5.96346 11.8254 10.7734 7.98326 13.3669 14.7815 10.9183 6.35398 numMergedOcc 0
9 mol 11 unq 1 iso 0 dist 6.97875 4.69415 6.35398 12.0426 10.9183 7.98326 13.5155 14.7815 10.7734 5.96346 numMergedOcc 0
10 mol 19 unq 0 iso 0 dist 8.18518 10.5195 6.41575 12.8718 9.74255 9.95212 14.1404 8.4674 4.64838 8.40416 numMergedOcc 0
11 mol 19 unq 1 iso 0 dist 8.18518 10.5195 6.41575 12.8718 9.74255 9.95212 6.57145 4.54938 4.97119 7.75618 numMergedOcc 0
12 mol 24 unq 0 iso 0 dist 6.85331 10.7574 7.33768 13.4332 6.66749 8.00171 9.20254 6.86014 4.32034 9.41441 numMergedOcc 0
13 mol 24 unq 1 iso 0 dist 6.85331 10.7574 7.33768 13.4332 6.66749 8.00171 17.3093 11.0194 11.9112 6.73939 numMergedOcc 0
14 mol 24 unq 2 iso 0 dist 6.85331 15.2995 9.01567 13.4332 6.66749 4.2121 9.20254 6.86014 8.67951 9.41441 numMergedOcc 0
15 mol 24 unq 3 iso 0 dist 6.85331 15.2995 9.01567 13.4332 6.66749 4.2121 17.3093 11.0194 4.50066 6.73939 numMergedOcc 0
16 mol 24 unq 4 iso 0 dist 6.85331 12.8157 7.29868 13.4332 6.66749 6.72323 9.20254 6.86014 8.52463 9.41441 numMergedOcc 0
17 mol 24 unq 5 iso 0 dist 6.85331 12.8157 7.29868 13.4332 6.66749 6.72323 17.3093 11.0194 5.11617 6.73939 numMergedOcc 0
18 mol 24 unq 6 iso 0 dist 6.35095 10.9987 6.73939 10.2645 4.50066 4.2121 15.591 11.0194 6.66749 9.01567 numMergedOcc 0
19 mol 24 unq 7 iso 0 dist 6.35095 10.9987 6.73939 17.8421 11.9112 8.00171 15.591 11.0194 6.66749 7.33768 numMergedOcc 0
20 mol 24 unq 8 iso 0 dist 6.35095 10.9987 6.73939 9.89331 5.11617 6.72323 5.76725 5.54419 12.176 8.4051 numMergedOcc 0
21 mol 24 unq 9 iso 0 dist 6.35095 10.9987 6.73939 9.89331 5.11617 6.72323 15.591 11.0194 6.66749 7.29868 numMergedOcc 0
22 mol 24 unq 10 iso 0 dist 6.35095 10.9987 6.73939 9.89331 5.11617 6.72323 17.7689 13.2433 14.012 8.60554 numMergedOcc 0
23 mol 25 unq 0 iso 0 dist 8.23292 14.4951 7.45383 11.6867 5.77929 6.25843 12.4427 5.04899 7.33728 8.87757 numMergedOcc 0
24 mol 25 unq 1 iso 0 dist 8.23292 14.4951 7.45383 11.6867 5.77929 6.25843 15.8887 12.7009 9.34396 8.50222 numMergedOcc 0
25 mol 25 unq 2 iso 0 dist 8.23292 14.4951 7.45383 11.6867 5.77929 6.25843 16.0361 12.8117 10.8498 7.55264 numMergedOcc 0
26 mol 25 unq 3 iso 0 dist 8.23292 6.39668 9.01548 11.6867 5.77929 8.88938 12.4427 5.04899 13.9331 8.87757 numMergedOcc 0
27 mol 25 unq 4 iso 0 dist 8.23292 6.39668 9.01548 11.6867 5.77929 8.88938 15.8887 12.7009 10.5328 8.50222 numMergedOcc 0
28 mol 25 unq 5 iso 0 dist 8.23292 6.39668 9.01548 11.6867 5.77929 8.88938 16.0361 12.8117 10.4337 7.55264 numMergedOcc 0
29 mol 91 unq 0 iso 0 dist 8.30169 6.11478 5.73743 14.0029 10.1024 8.66165 8.5404 10.2307 4.57085 9.30539 numMergedOcc 0
30 mol 91 unq 1 iso 0 dist 8.91983 6.42704 5.73743 10.7696 10.1024 8.66165 8.24532 10.2307 4.57085 9.30539 numMergedOcc 0
31 mol 134 unq 0 iso 0 dist 7.97208 15.4716 7.80532 10.8422 5.71679 6.40575 12.5576 6.54501 7.41674 7.69991 numMergedOcc 0
32 mol 134 unq 1 iso 0 dist 7.97208 15.4716 7.80532 10.8422 5.71679 6.40575 9.52819 6.49416 9.87376 6.23142 numMergedOcc 0
33 mol 134 unq 2 iso 0 dist 7.97208 15.4716 7.80532 10.8422 5.71679 6.40575 12.4156 12.5075 14.9876 9.94764 numMergedOcc 0
34 mol 171 unq 0 iso 0 dist 6.01711 6.4423 9.61462 6.4751 11.5561 5.25109 8.67611 13.05 4.78075 6.64834 numMergedOcc 0
35 mol 171 unq 1 iso 0 dist 6.01711 6.4423 9.61462 6.4751 11.5561 5.25109 9.28655 14.9792 7.9651 5.93786 numMergedOcc 0
36 mol 171 unq 2 iso 0 dist 6.01711 6.4423 9.61462 6.4751 11.5561 5.25109 10.4021 16.2078 12.6853 8.24693 numMergedOcc 0
37 mol 171 unq 3 iso 0 dist 6.01711 6.4423 9.61462 6.4751 11.5561 5.25109 11.8046 15.4802 5.90026 7.36698 numMergedOcc 0
38 mol 171 unq 4 iso 0 dist 6.01711 6.4423 9.61462 5.75085 10.844 8.21618 9.28655 14.9792 7.9651 8.1344 numMergedOcc 0
39 mol 171 unq 5 iso 0 dist 6.01711 6.4423 9.61462 5.75085 10.844 8.21618 10.4021 16.2078 12.6853 6.71356 numMergedOcc 0
40 mol 181 unq 0 iso 0 dist 9.63295 14.1039 5.9176 14.0071 6.29863 7.22883 23.4579 15.333 12.7358 9.72611 numMergedOcc 0
41 mol 232 unq 0 iso 0 dist 7.47238 15.5413 9.05071 9.78197 4.9377 9.8664 11.3868 10.5803 12.3508 8.50102 numMergedOcc 0
42 mol 232 unq 1 iso 0 dist 7.47238 15.5413 9.05071 9.78197 4.9377 9.8664 10.134 8.27212 8.80479 9.40808 numMergedOcc 0
43 mol 238 unq 0 iso 0 dist 8.89538 16.6173 8.67864 14.1787 7.95232 5.92374 14.5093 10.7456 8.1195 8.69104 numMergedOcc 0
44 mol 271 unq 0 iso 0 dist 8.32351 6.38496 8.98576 5.75889 5.53238 5.92274 9.63302 15.085 8.66946 9.70714 numMergedOcc 0
45 mol 273 unq 0 iso 0 dist 6.54753 7.10817 8.83865 12.7295 12.0136 7.16346 10.2261 13.3579 4.60101 8.49177 numMergedOcc 0
