0 mol 43 unq 0 iso 0 dist 8.90024 9.35453 13.5667 15.4384 8.06275 21.6031 numMergedOcc 0
1 mol 70 unq 0 iso 0 dist 6.77833 6.13606 4.36555 5.06146 9.83265 8.42287 numMergedOcc 0
2 mol 70 unq 1 iso 0 dist 9.83265 8.42287 4.36555 5.06146 6.77833 6.13606 numMergedOcc 0
3 mol 70 unq 2 iso 0 dist 8.63742 5.40928 4.98521 5.54632 6.91739 5.76805 numMergedOcc 0
4 mol 70 unq 3 iso 0 dist 6.91739 5.76805 4.98521 5.54632 8.63742 5.40928 numMergedOcc 0
5 mol 96 unq 0 iso 0 dist 6.21351 5.19438 5.04559 7.31203 9.93617 11.6393 numMergedOcc 0
6 mol 109 unq 0 iso 0 dist 6.43255 9.88541 9.29894 10.3911 9.26438 11.0151 numMergedOcc 0
7 mol 109 unq 1 iso 0 dist 6.43255 9.88541 9.29894 7.25431 7.4389 14.18 numMergedOcc 0
8 mol 112 unq 0 iso 0 dist 8.86938 8.65004 11.8396 5.62795 7.85583 13.6769 numMergedOcc 0
9 mol 112 unq 1 iso 0 dist 8.86938 9.86487 18.0868 5.62795 7.85583 11.7773 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 8.66715 9.29665 17.3196 15.1512 8.95433 21.1668 numMergedOcc 0
11 mol 134 unq 0 iso 0 dist 4.9155 7.85849 5.71679 7.36102 8.49987 10.2775 numMergedOcc 0
12 mol 134 unq 1 iso 0 dist 4.9155 7.85849 5.71679 11.0847 9.42271 6.08299 numMergedOcc 0
13 mol 134 unq 2 iso 0 dist 9.42271 6.08299 5.71679 11.0847 4.9155 7.85849 numMergedOcc 0
14 mol 134 unq 3 iso 0 dist 9.42271 6.08299 5.71679 8.91755 8.49987 10.2775 numMergedOcc 0
15 mol 205 unq 0 iso 0 dist 6.11505 6.79634 11.6232 4.88176 8.57514 10.5797 numMergedOcc 0
16 mol 217 unq 0 iso 0 dist 7.58097 5.88992 4.92696 5.46432 8.58773 5.19677 numMergedOcc 0
17 mol 217 unq 1 iso 0 dist 7.58097 5.88992 4.92696 7.23953 8.19274 8.94906 numMergedOcc 0
18 mol 217 unq 2 iso 0 dist 8.58773 5.19677 4.92696 5.46432 7.58097 5.88992 numMergedOcc 0
19 mol 217 unq 3 iso 0 dist 8.58773 5.19677 4.92696 6.97933 8.19274 8.94906 numMergedOcc 0
20 mol 217 unq 4 iso 0 dist 8.19274 8.94906 4.92696 7.23953 7.58097 5.88992 numMergedOcc 0
21 mol 217 unq 5 iso 0 dist 8.19274 8.94906 4.92696 6.97933 8.58773 5.19677 numMergedOcc 0
22 mol 235 unq 0 iso 0 dist 5.60236 8.08581 5.5163 9.1359 9.03917 5.98104 numMergedOcc 0
23 mol 235 unq 1 iso 0 dist 9.03917 5.98104 5.5163 9.1359 5.60236 8.08581 numMergedOcc 0
24 mol 235 unq 2 iso 0 dist 6.45574 4.46919 7.60081 5.16968 8.14407 9.62712 numMergedOcc 0
25 mol 277 unq 0 iso 0 dist 7.151 6.71956 6.28695 11.3045 8.33977 11.2339 numMergedOcc 0
26 mol 277 unq 1 iso 0 dist 8.53324 6.71956 4.37645 11.3045 8.66941 11.2339 numMergedOcc 0
27 mol 280 unq 0 iso 0 dist 6.52188 9.35785 10.173 6.2679 6.94723 14.7739 numMergedOcc 0
28 mol 285 unq 0 iso 0 dist 8.33653 8.51221 10.4903 17.8765 9.82717 16.6011 numMergedOcc 0
29 mol 285 unq 1 iso 0 dist 8.33653 8.51221 10.4903 9.31107 6.44657 13.7177 numMergedOcc 0
