0 mol 55 unq 0 iso 0 dist 7.6314 11.1268 8.03504 10.9476 4.60627 9.3239 numMergedOcc 0
1 mol 55 unq 1 iso 0 dist 7.6314 6.48194 7.87739 10.9476 4.60627 8.34632 numMergedOcc 0
2 mol 55 unq 2 iso 0 dist 7.6314 6.48194 7.87739 7.62977 5.55161 5.62629 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 8.50028 12.1332 6.85356 8.91858 4.63063 7.02351 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 8.50028 14.2641 7.32265 11.6899 8.30433 7.53504 numMergedOcc 0
5 mol 73 unq 2 iso 0 dist 8.50028 14.2641 7.32265 8.91858 4.63063 8.66342 numMergedOcc 0
6 mol 73 unq 3 iso 0 dist 8.50028 14.2641 7.32265 7.5442 4.68175 7.21285 numMergedOcc 0
7 mol 73 unq 4 iso 0 dist 8.50028 14.2641 7.32265 12.9171 10.0459 6.95094 numMergedOcc 0
8 mol 86 unq 0 iso 0 dist 7.38545 5.60539 8.42594 13.4577 10.2202 9.64554 numMergedOcc 0
9 mol 87 unq 0 iso 0 dist 7.08616 3.74583 7.10886 6.73874 5.80857 8.33989 numMergedOcc 0
10 mol 87 unq 1 iso 0 dist 7.83182 3.74583 7.83828 6.73874 10.5488 8.33989 numMergedOcc 0
11 mol 99 unq 0 iso 0 dist 5.57391 5.77364 4.82346 6.24473 4.74328 8.23566 numMergedOcc 0
12 mol 131 unq 0 iso 0 dist 8.98949 5.7687 6.45169 6.30762 10.1774 7.8034 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 6.53862 7.587 9.82274 6.90904 5.32245 6.89564 numMergedOcc 0
14 mol 134 unq 0 iso 0 dist 9.67331 12.8386 8.15734 15.2378 6.69705 6.4922 numMergedOcc 0
15 mol 134 unq 1 iso 0 dist 9.67331 3.94348 6.00896 10.3975 6.01484 7.94564 numMergedOcc 0
16 mol 134 unq 2 iso 0 dist 9.67331 3.94348 6.00896 9.91507 10.6104 9.21999 numMergedOcc 0
17 mol 174 unq 0 iso 0 dist 7.5144 8.97301 8.15275 11.5736 5.46023 8.67807 numMergedOcc 0
18 mol 203 unq 0 iso 0 dist 9.58178 6.98545 7.72215 14.2624 9.33982 8.8589 numMergedOcc 0
19 mol 203 unq 1 iso 0 dist 9.52542 6.98545 5.46529 14.2624 4.9404 8.8589 numMergedOcc 0
20 mol 203 unq 2 iso 0 dist 9.80432 10.347 5.46529 14.3655 4.9404 8.8589 numMergedOcc 0
21 mol 205 unq 0 iso 0 dist 8.96503 7.51653 6.02053 15.4079 8.82544 8.21112 numMergedOcc 0
22 mol 205 unq 1 iso 0 dist 8.96503 10.6644 7.41663 15.4079 8.82544 7.06533 numMergedOcc 0
23 mol 210 unq 0 iso 0 dist 6.61789 11.257 8.94889 15.0955 12.3142 7.68078 numMergedOcc 0
24 mol 210 unq 1 iso 0 dist 6.61789 11.257 8.94889 17.9766 13.7365 9.26518 numMergedOcc 0
25 mol 220 unq 0 iso 0 dist 9.92349 5.4891 9.57625 8.77267 13.0906 9.56271 numMergedOcc 0
26 mol 220 unq 1 iso 0 dist 9.70779 15.2237 9.984 15.6024 8.70221 9.74776 numMergedOcc 0
27 mol 220 unq 2 iso 0 dist 9.70779 5.4891 8.08702 8.77267 4.56028 9.56271 numMergedOcc 0
28 mol 226 unq 0 iso 0 dist 7.64898 5.27976 8.24741 14.0381 12.3913 9.05082 numMergedOcc 0
29 mol 239 unq 0 iso 0 dist 6.55222 14.1404 7.80073 13.5145 8.20191 8.78008 numMergedOcc 0
30 mol 255 unq 0 iso 0 dist 8.01663 5.28877 7.16286 5.17191 6.41518 6.61193 numMergedOcc 0
31 mol 259 unq 0 iso 0 dist 9.32251 15.8365 9.78704 13.1939 7.53628 5.96276 numMergedOcc 0
32 mol 277 unq 0 iso 0 dist 7.35191 8.05625 6.40125 13.0887 6.08499 8.83777 numMergedOcc 0
33 mol 277 unq 1 iso 0 dist 7.35191 8.05625 6.40125 13.9029 10.3278 9.42812 numMergedOcc 0
