0 mol 4 unq 0 iso 0 dist 6.22303 8.60134 9.06421 5.13908 8.7041 7.77633 numMergedOcc 0
1 mol 72 unq 0 iso 0 dist 8.06901 9.20886 12.4898 9.75355 17.2287 9.86502 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 9.23755 7.10218 4.93697 12.5791 8.4438 7.75341 numMergedOcc 0
3 mol 78 unq 0 iso 0 dist 9.93275 8.56119 4.76634 5.18488 10.6063 9.6163 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 9.26306 9.08834 4.41928 10.6717 10.5465 6.2454 numMergedOcc 0
5 mol 86 unq 0 iso 0 dist 8.45341 9.32256 7.36782 6.2653 10.6558 6.56673 numMergedOcc 0
6 mol 103 unq 0 iso 0 dist 6.88956 5.62245 6.86277 13.0375 13.595 9.71722 numMergedOcc 0
7 mol 130 unq 0 iso 0 dist 8.65807 9.47287 5.23445 6.42728 12.0525 9.88678 numMergedOcc 0
8 mol 130 unq 1 iso 0 dist 8.65807 9.47287 5.23445 10.2247 11.417 7.06547 numMergedOcc 0
9 mol 143 unq 0 iso 0 dist 7.58683 9.11314 9.9746 7.77697 10.0253 5.44814 numMergedOcc 0
10 mol 178 unq 0 iso 0 dist 9.3355 8.81097 5.71 5.50567 6.25455 9.26238 numMergedOcc 0
11 mol 178 unq 1 iso 0 dist 9.3355 8.81097 5.71 6.1397 8.14441 9.32853 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 8.42226 9.00537 5.85073 17.738 14.1863 9.82338 numMergedOcc 0
13 mol 239 unq 0 iso 0 dist 8.49961 9.77592 10.87 5.5539 10.0784 5.68578 numMergedOcc 0
14 mol 239 unq 1 iso 0 dist 8.49961 9.77592 10.87 16.6417 12.9062 9.50933 numMergedOcc 0
15 mol 260 unq 0 iso 0 dist 7.95918 8.19223 7.37194 4.96171 8.13696 7.4261 numMergedOcc 0
16 mol 279 unq 0 iso 0 dist 6.85288 9.88022 7.38256 11.71 9.98985 5.60922 numMergedOcc 0
17 mol 279 unq 1 iso 0 dist 6.85288 9.88198 15.8183 15.9429 22.7436 8.9352 numMergedOcc 0
18 mol 279 unq 2 iso 0 dist 6.85288 9.88198 15.8183 5.86409 12.4134 5.8845 numMergedOcc 0
19 mol 285 unq 0 iso 0 dist 4.49395 7.12723 5.62841 7.41444 9.40913 9.30058 numMergedOcc 0
20 mol 285 unq 1 iso 0 dist 4.49395 7.12723 5.62841 11.2362 8.87819 6.5354 numMergedOcc 0
