0 mol 76 unq 0 iso 0 dist 8.61801 10.2991 7.81334 9.04786 9.23985 12.0265 numMergedOcc 0
1 mol 111 unq 0 iso 0 dist 6.33278 11.7111 9.82548 10.8891 6.63857 15.1654 numMergedOcc 0
2 mol 111 unq 1 iso 0 dist 5.46061 7.20957 9.82548 11.8898 6.63857 15.1654 numMergedOcc 0
3 mol 162 unq 0 iso 0 dist 8.8782 13.715 8.48559 4.15998 6.00293 10.7014 numMergedOcc 0
4 mol 163 unq 0 iso 0 dist 7.02497 11.9369 8.12896 12.1891 7.38157 6.31211 numMergedOcc 0
5 mol 163 unq 1 iso 0 dist 7.02497 11.6846 8.88092 12.1891 7.38157 4.09836 numMergedOcc 0
6 mol 163 unq 2 iso 0 dist 7.85375 9.36574 8.12896 11.8633 7.38157 6.31211 numMergedOcc 0
7 mol 163 unq 3 iso 0 dist 7.85375 12.2504 8.88092 11.8633 7.38157 4.09836 numMergedOcc 0
8 mol 175 unq 0 iso 0 dist 8.37755 13.6462 9.08628 8.14583 6.59925 15.459 numMergedOcc 0
9 mol 175 unq 1 iso 0 dist 8.37755 8.85077 8.35581 8.14583 6.59925 12.0623 numMergedOcc 0
10 mol 175 unq 2 iso 0 dist 8.37755 5.04242 6.72569 8.14583 6.59925 9.05904 numMergedOcc 0
11 mol 194 unq 0 iso 0 dist 9.06602 6.08534 7.47107 6.50474 7.39369 9.86028 numMergedOcc 0
12 mol 232 unq 0 iso 0 dist 8.79558 10.71 7.03236 6.56149 8.48604 9.87235 numMergedOcc 0
13 mol 240 unq 0 iso 0 dist 9.70557 5.6064 8.44671 7.90823 7.35934 10.8851 numMergedOcc 0
14 mol 247 unq 0 iso 0 dist 7.12667 4.11481 6.81743 6.40013 7.94069 9.35319 numMergedOcc 0
15 mol 247 unq 1 iso 0 dist 7.86209 6.41602 6.81743 3.78352 7.94069 9.35319 numMergedOcc 0
16 mol 253 unq 0 iso 0 dist 8.33539 7.99718 8.95991 7.08002 9.50464 8.8144 numMergedOcc 0
