0 mol 26 unq 0 iso 0 dist 9.15677 16.4682 8.34347 15.7188 6.73162 7.23546 10.1983 5.3315 6.88695 9.97117 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 9.61029 14.3476 8.34347 7.95969 6.73162 7.23546 14.2961 5.3315 6.88695 9.97117 numMergedOcc 0
2 mol 59 unq 0 iso 0 dist 7.67586 5.03832 6.85766 10.9894 6.71911 7.29033 6.17977 5.34079 8.05508 11.5407 numMergedOcc 0
3 mol 59 unq 1 iso 0 dist 8.97292 7.2878 6.85766 9.55542 6.71911 7.29033 9.76644 5.34079 8.05508 11.5407 numMergedOcc 0
4 mol 114 unq 0 iso 0 dist 6.06543 5.51609 7.35754 6.2394 7.52743 4.77056 6.34761 4.1386 9.44713 10.573 numMergedOcc 0
5 mol 117 unq 0 iso 0 dist 9.41387 9.3855 7.90328 6.69306 6.62561 4.91401 15.6763 10.4485 6.90827 9.58171 numMergedOcc 0
6 mol 117 unq 1 iso 0 dist 9.41387 9.3855 7.90328 6.69306 6.62561 4.91401 18.1739 13.8755 8.90977 13.2996 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 8.32004 6.92096 9.87172 5.66952 9.38288 11.7228 13.9077 12.1192 8.44385 16.7922 numMergedOcc 0
8 mol 119 unq 1 iso 0 dist 8.32004 6.92096 9.87172 4.91188 6.19042 6.35763 13.9077 12.1192 8.44385 10.2497 numMergedOcc 0
9 mol 119 unq 2 iso 0 dist 8.32004 6.92096 9.87172 7.01214 7.44174 7.36192 13.9077 12.1192 8.44385 13.4009 numMergedOcc 0
10 mol 127 unq 0 iso 0 dist 9.79448 6.02237 9.30299 11.8721 8.59981 14.085 14.0423 8.60326 9.42513 16.2351 numMergedOcc 0
11 mol 127 unq 1 iso 0 dist 9.79448 6.02237 9.30299 11.5439 7.34519 13.1312 14.0423 8.60326 9.42513 13.306 numMergedOcc 0
12 mol 131 unq 0 iso 0 dist 9.69757 6.82985 7.12972 12.4356 8.6243 6.19596 8.74464 4.29914 6.31125 9.90096 numMergedOcc 0
13 mol 132 unq 0 iso 0 dist 9.0339 15.9368 7.7059 9.29705 6.03703 9.92344 11.9089 4.90475 8.7366 10.9124 numMergedOcc 0
14 mol 167 unq 0 iso 0 dist 6.64164 5.361 9.87651 6.90242 8.62646 6.58937 8.01303 8.66436 5.59806 9.19849 numMergedOcc 0
15 mol 181 unq 0 iso 0 dist 6.96824 8.76337 7.63312 5.54495 6.93764 4.80231 17.5221 12.9554 9.84952 14.2389 numMergedOcc 0
16 mol 238 unq 0 iso 0 dist 9.82174 10.4397 6.57393 12.5765 6.91569 10.9761 11.5196 10.3859 9.13537 17.1186 numMergedOcc 0
17 mol 238 unq 1 iso 0 dist 7.13194 9.05069 5.72887 14.751 9.29858 13.069 18.1418 12.521 9.94315 12.9182 numMergedOcc 0
18 mol 238 unq 2 iso 0 dist 7.13194 9.05069 5.72887 14.751 9.29858 13.069 15.8518 9.18011 8.59074 9.77231 numMergedOcc 0
19 mol 238 unq 3 iso 0 dist 7.13194 9.05069 5.72887 14.751 9.29858 13.069 11.3226 4.7157 6.2365 10.2583 numMergedOcc 0
20 mol 238 unq 4 iso 0 dist 7.80166 6.77788 5.72887 12.4266 9.29858 13.069 12.7061 12.521 9.94315 12.9182 numMergedOcc 0
21 mol 238 unq 5 iso 0 dist 7.80166 6.77788 5.72887 12.4266 9.29858 13.069 12.3224 9.18011 8.59074 9.77231 numMergedOcc 0
22 mol 238 unq 6 iso 0 dist 7.80166 6.77788 5.72887 12.4266 9.29858 13.069 11.0982 4.7157 6.2365 10.2583 numMergedOcc 0
23 mol 294 unq 0 iso 0 dist 7.1984 6.23921 8.15665 6.28374 9.03492 6.17102 13.2619 10.2761 7.98617 11.886 numMergedOcc 0
