0 mol 55 unq 0 iso 0 dist 7.58788 6.63489 5.62629 11.7622 9.70148 5.33255 12.4931 5.55161 7.87739 8.94235 numMergedOcc 0
1 mol 73 unq 0 iso 0 dist 5.39171 12.6081 7.53504 10.5627 6.89722 9.64124 13.1329 7.92924 5.68894 7.23812 numMergedOcc 0
2 mol 73 unq 1 iso 0 dist 5.39171 12.6081 7.53504 10.5627 6.89722 9.64124 12.702 8.30433 7.32265 10.396 numMergedOcc 0
3 mol 73 unq 2 iso 0 dist 9.27355 16.1129 7.02351 10.8067 9.68526 13.6586 13.1329 5.4653 6.7939 14.8693 numMergedOcc 0
4 mol 73 unq 3 iso 0 dist 9.27355 16.1129 7.02351 10.8067 9.68526 13.6586 12.702 4.63063 6.85356 11.7079 numMergedOcc 0
5 mol 73 unq 4 iso 0 dist 9.27355 16.1129 7.02351 10.5627 7.26679 10.3774 13.1329 5.4653 6.7939 7.23812 numMergedOcc 0
6 mol 73 unq 5 iso 0 dist 9.27355 16.1129 7.02351 10.5627 7.26679 10.3774 12.702 4.63063 6.85356 10.396 numMergedOcc 0
7 mol 73 unq 6 iso 0 dist 9.27355 16.1129 7.02351 17.4113 9.30776 4.15333 13.1329 5.4653 6.7939 10.5158 numMergedOcc 0
8 mol 73 unq 7 iso 0 dist 9.27355 16.1129 7.02351 17.4113 9.30776 4.15333 12.702 4.63063 6.85356 10.4252 numMergedOcc 0
9 mol 73 unq 8 iso 0 dist 9.27355 12.6081 8.66342 10.8067 9.68526 16.8585 13.1329 5.4653 5.68894 14.8693 numMergedOcc 0
10 mol 73 unq 9 iso 0 dist 9.27355 12.6081 8.66342 10.8067 9.68526 16.8585 12.702 4.63063 7.32265 11.7079 numMergedOcc 0
11 mol 73 unq 10 iso 0 dist 9.27355 12.6081 8.66342 10.5627 7.26679 9.64124 13.1329 5.4653 5.68894 7.23812 numMergedOcc 0
12 mol 73 unq 11 iso 0 dist 9.27355 12.6081 8.66342 10.5627 7.26679 9.64124 12.702 4.63063 7.32265 10.396 numMergedOcc 0
13 mol 73 unq 12 iso 0 dist 9.27355 12.6081 8.66342 17.4113 9.30776 16.0481 13.1329 5.4653 5.68894 10.5158 numMergedOcc 0
14 mol 73 unq 13 iso 0 dist 9.27355 12.6081 8.66342 17.4113 9.30776 16.0481 12.702 4.63063 7.32265 10.4252 numMergedOcc 0
15 mol 73 unq 14 iso 0 dist 8.60363 12.6081 7.21285 10.8067 9.72442 16.8585 13.1329 7.09483 5.68894 14.8693 numMergedOcc 0
16 mol 73 unq 15 iso 0 dist 8.60363 12.6081 7.21285 10.8067 9.72442 16.8585 12.702 4.68175 7.32265 11.7079 numMergedOcc 0
17 mol 73 unq 16 iso 0 dist 8.60363 12.6081 7.21285 16.3515 9.02288 4.91508 13.1329 7.09483 5.68894 5.36012 numMergedOcc 0
18 mol 73 unq 17 iso 0 dist 8.60363 12.6081 7.21285 16.3515 9.02288 4.91508 12.702 4.68175 7.32265 6.3777 numMergedOcc 0
19 mol 73 unq 18 iso 0 dist 9.27331 14.1204 7.21285 10.163 9.72442 16.8585 11.8571 7.09483 5.68894 14.8693 numMergedOcc 0
20 mol 73 unq 19 iso 0 dist 9.27331 14.1204 7.21285 10.163 9.72442 16.8585 7.45777 4.68175 7.32265 11.7079 numMergedOcc 0
21 mol 73 unq 20 iso 0 dist 9.27331 14.1204 7.21285 12.3394 9.02288 4.91508 11.8571 7.09483 5.68894 5.36012 numMergedOcc 0
22 mol 73 unq 21 iso 0 dist 9.27331 14.1204 7.21285 12.3394 9.02288 4.91508 7.45777 4.68175 7.32265 6.3777 numMergedOcc 0
23 mol 114 unq 0 iso 0 dist 5.31281 7.22809 8.592 7.65733 7.25166 4.24853 9.45174 5.53478 8.75093 8.14429 numMergedOcc 0
24 mol 114 unq 1 iso 0 dist 5.31281 7.22809 8.592 5.24877 8.42445 9.52181 9.45174 5.53478 8.75093 10.8086 numMergedOcc 0
25 mol 205 unq 0 iso 0 dist 9.89311 13.8587 8.21112 14.1114 7.07183 7.42296 14.9475 8.82544 6.02053 11.6539 numMergedOcc 0
26 mol 205 unq 1 iso 0 dist 9.89311 9.6353 7.06533 14.1114 7.07183 8.60418 14.9475 8.82544 7.41663 11.6539 numMergedOcc 0
27 mol 205 unq 2 iso 0 dist 9.89311 11.7852 5.94835 14.1114 7.07183 5.30941 13.3095 5.16703 7.09439 9.74671 numMergedOcc 0
28 mol 211 unq 0 iso 0 dist 9.8921 16.4954 9.45365 11.3877 8.63308 8.91121 17.2726 13.6185 8.66183 14.3593 numMergedOcc 0
29 mol 220 unq 0 iso 0 dist 7.57712 6.40358 4.3362 6.19375 7.31105 9.20027 10.8839 5.7733 6.89587 12.2813 numMergedOcc 0
30 mol 224 unq 0 iso 0 dist 7.47122 6.1168 7.46044 15.4433 9.75313 13.1803 7.03925 4.49347 5.07376 12.6229 numMergedOcc 0
31 mol 224 unq 1 iso 0 dist 6.6537 9.80029 7.46044 4.55824 9.75313 13.1803 9.7994 4.49347 5.07376 12.6229 numMergedOcc 0
32 mol 226 unq 0 iso 0 dist 7.20862 15.6116 9.05082 10.5706 9.5723 10.78 16.5565 12.3913 8.24741 9.14028 numMergedOcc 0
33 mol 235 unq 0 iso 0 dist 7.99218 5.63043 7.52696 10.3775 7.2346 8.38435 10.4732 4.81997 7.30003 8.69551 numMergedOcc 0
34 mol 239 unq 0 iso 0 dist 6.00654 10.1043 8.78008 10.1196 9.37996 10.9742 8.86185 8.20191 7.80073 15.5483 numMergedOcc 0
35 mol 258 unq 0 iso 0 dist 7.70189 5.79358 6.59521 9.78068 8.58088 5.13233 8.10903 5.27718 8.73425 9.04358 numMergedOcc 0
36 mol 258 unq 1 iso 0 dist 7.70189 5.79358 6.59521 9.78068 8.58088 5.13233 7.25618 9.46467 9.65711 10.0455 numMergedOcc 0
37 mol 277 unq 0 iso 0 dist 6.23539 13.1 9.42812 6.13402 8.57532 10.7202 11.8319 10.3278 6.40125 10.7815 numMergedOcc 0
38 mol 277 unq 1 iso 0 dist 6.23539 13.1 9.42812 6.16829 9.02914 17.0927 11.8319 10.3278 6.40125 17.4393 numMergedOcc 0
39 mol 277 unq 2 iso 0 dist 6.23539 13.1 9.42812 7.44724 6.90434 16.2915 11.8319 10.3278 6.40125 16.0291 numMergedOcc 0
40 mol 280 unq 0 iso 0 dist 7.3304 10.5216 9.9227 7.26698 8.85762 5.80223 14.1864 11.4101 6.38295 7.96485 numMergedOcc 0
