0 mol 10 unq 0 iso 0 dist 9.09758 10.1803 9.88507 16.2606 10.9227 9.97671 numMergedOcc 0
1 mol 93 unq 0 iso 0 dist 6.58492 10.0644 8.69945 10.0901 4.34681 8.24402 numMergedOcc 0
2 mol 93 unq 1 iso 0 dist 6.58492 10.0644 8.69945 16.0765 13.5809 7.14241 numMergedOcc 0
3 mol 93 unq 2 iso 0 dist 7.63783 15.1013 8.69945 11.5774 4.34681 8.24402 numMergedOcc 0
4 mol 93 unq 3 iso 0 dist 7.63783 15.1013 8.69945 20.7008 13.5809 7.14241 numMergedOcc 0
5 mol 117 unq 0 iso 0 dist 8.00497 4.00808 6.3322 11.3394 4.42665 8.71826 numMergedOcc 0
6 mol 130 unq 0 iso 0 dist 5.65876 12.7823 7.7461 7.50304 3.90693 9.58166 numMergedOcc 0
7 mol 130 unq 1 iso 0 dist 9.13825 12.7823 9.53985 7.50304 4.86681 9.58166 numMergedOcc 0
8 mol 173 unq 0 iso 0 dist 6.07708 6.2739 8.14167 9.31914 8.66075 9.19939 numMergedOcc 0
9 mol 181 unq 0 iso 0 dist 8.83185 6.2128 7.08557 9.87043 3.67187 8.76671 numMergedOcc 0
10 mol 181 unq 1 iso 0 dist 9.0234 13.88 7.08557 11.8325 3.67187 8.76671 numMergedOcc 0
11 mol 192 unq 0 iso 0 dist 7.57117 11.1214 8.14859 13.4044 6.73951 7.97601 numMergedOcc 0
12 mol 192 unq 1 iso 0 dist 9.9312 11.1214 5.62421 13.4044 6.53644 7.97601 numMergedOcc 0
13 mol 193 unq 0 iso 0 dist 6.77983 3.79373 9.16058 7.73964 5.96435 9.50113 numMergedOcc 0
14 mol 193 unq 1 iso 0 dist 6.77983 3.79373 9.16058 11.2631 11.1328 9.73679 numMergedOcc 0
15 mol 204 unq 0 iso 0 dist 9.639 7.03981 7.59757 14.0297 6.52211 8.98633 numMergedOcc 0
16 mol 239 unq 0 iso 0 dist 9.499 4.72952 5.95622 12.9764 9.24057 9.58325 numMergedOcc 0
17 mol 256 unq 0 iso 0 dist 7.36908 3.97238 9.74449 4.65358 7.27053 7.44294 numMergedOcc 0
18 mol 256 unq 1 iso 0 dist 7.36908 3.97238 9.74449 8.45584 5.51548 9.62515 numMergedOcc 0
19 mol 268 unq 0 iso 0 dist 9.71278 4.77868 6.68794 11.3356 3.75857 9.06348 numMergedOcc 0
20 mol 277 unq 0 iso 0 dist 9.7625 10.6345 9.35976 14.1815 15.4432 9.07744 numMergedOcc 0
