0 mol 63 unq 0 iso 0 dist 8.01382 10.2511 9.22331 8.54119 3.72318 7.89201 numMergedOcc 0
1 mol 63 unq 1 iso 0 dist 7.77386 9.80559 9.22331 9.73106 3.72318 7.89201 numMergedOcc 0
2 mol 67 unq 0 iso 0 dist 7.98453 5.23343 6.58279 5.16558 4.31746 6.23298 numMergedOcc 0
3 mol 67 unq 1 iso 0 dist 7.98453 5.23343 6.58279 9.62459 7.58981 9.85405 numMergedOcc 0
4 mol 100 unq 0 iso 0 dist 6.34031 14.7574 9.95103 16.8873 12.9454 8.52125 numMergedOcc 0
5 mol 108 unq 0 iso 0 dist 8.50992 10.135 8.06774 19.2692 13.9156 9.82453 numMergedOcc 0
6 mol 108 unq 1 iso 0 dist 8.00008 10.6042 8.06774 15.3528 13.9156 9.82453 numMergedOcc 0
7 mol 108 unq 2 iso 0 dist 7.79698 7.02959 8.06774 13.4848 13.9156 9.82453 numMergedOcc 0
8 mol 108 unq 3 iso 0 dist 7.18748 9.65124 8.06774 18.4644 13.9156 9.82453 numMergedOcc 0
9 mol 109 unq 0 iso 0 dist 8.82036 13.7372 9.10677 21.0852 17.8562 9.79844 numMergedOcc 0
10 mol 141 unq 0 iso 0 dist 6.93424 13.0903 7.35385 17.0872 13.2639 6.95914 numMergedOcc 0
11 mol 141 unq 1 iso 0 dist 6.8891 13.0903 8.35864 17.0872 10.9097 6.95914 numMergedOcc 0
12 mol 147 unq 0 iso 0 dist 9.29523 3.87868 9.21191 6.28769 6.78733 8.52428 numMergedOcc 0
13 mol 192 unq 0 iso 0 dist 9.9312 13.5387 9.99783 13.6927 11.153 7.252 numMergedOcc 0
14 mol 235 unq 0 iso 0 dist 9.22128 4.96518 6.20377 12.3705 13.1619 8.88613 numMergedOcc 0
15 mol 249 unq 0 iso 0 dist 6.7282 7.89655 4.68783 10.7935 4.20164 7.279 numMergedOcc 0
16 mol 249 unq 1 iso 0 dist 6.7282 7.89655 4.68783 11.0038 5.93404 8.43448 numMergedOcc 0
17 mol 256 unq 0 iso 0 dist 5.2801 12.6693 7.40057 20.0558 15.2988 9.37687 numMergedOcc 0
18 mol 294 unq 0 iso 0 dist 8.83246 7.11058 6.1268 8.88961 7.33654 5.27236 numMergedOcc 0
