0 mol 5 unq 0 iso 0 dist 6.99733 9.13355 4.59167 7.19651 7.89217 9.06678 numMergedOcc 0
1 mol 76 unq 0 iso 0 dist 9.52666 8.8326 10.8827 8.15383 9.225 13.3552 numMergedOcc 0
2 mol 89 unq 0 iso 0 dist 6.86861 5.10735 8.04878 11.2593 9.1784 12.5415 numMergedOcc 0
3 mol 122 unq 0 iso 0 dist 8.68384 8.58081 8.13856 7.69764 9.00365 13.5439 numMergedOcc 0
4 mol 125 unq 0 iso 0 dist 8.75402 9.93888 6.26399 10.6764 8.48363 14.351 numMergedOcc 0
5 mol 134 unq 0 iso 0 dist 6.00896 6.41759 7.45747 10.0801 8.15734 14.5842 numMergedOcc 0
6 mol 162 unq 0 iso 0 dist 7.08934 8.0852 8.69327 6.25764 9.43135 13.6115 numMergedOcc 0
7 mol 162 unq 1 iso 0 dist 7.08934 8.83222 6.65154 6.25764 9.43135 14.0965 numMergedOcc 0
8 mol 193 unq 0 iso 0 dist 7.71716 8.28942 7.03555 13.1729 8.71993 14.8267 numMergedOcc 0
9 mol 205 unq 0 iso 0 dist 6.02053 7.18098 3.73699 4.4482 7.41663 10.1621 numMergedOcc 0
10 mol 209 unq 0 iso 0 dist 8.20431 9.73136 5.3027 9.5473 8.12326 11.6272 numMergedOcc 0
11 mol 209 unq 1 iso 0 dist 8.20431 9.73136 5.3027 5.35106 7.37014 11.129 numMergedOcc 0
12 mol 209 unq 2 iso 0 dist 8.8886 9.73136 5.01087 6.11542 8.78565 11.5455 numMergedOcc 0
13 mol 239 unq 0 iso 0 dist 8.92121 8.03092 11.1207 7.19561 9.95252 11.8674 numMergedOcc 0
14 mol 261 unq 0 iso 0 dist 6.99444 9.4157 4.64981 10.4134 9.38192 13.3374 numMergedOcc 0
15 mol 267 unq 0 iso 0 dist 6.79491 4.42902 6.15683 7.06028 5.72144 9.56478 numMergedOcc 0
16 mol 273 unq 0 iso 0 dist 7.84151 8.28809 8.8839 6.91672 7.346 13.5107 numMergedOcc 0
17 mol 274 unq 0 iso 0 dist 9.11322 9.38914 8.83156 11.9584 8.76302 16.2596 numMergedOcc 0
18 mol 279 unq 0 iso 0 dist 8.52827 9.44618 13.4439 7.00034 7.14122 11.929 numMergedOcc 0
