0 mol 67 unq 0 iso 0 dist 9.67476 9.18772 5.63802 12.6114 10.3712 7.98453 numMergedOcc 0
1 mol 67 unq 1 iso 0 dist 9.10105 10.1891 6.07108 14.3949 10.7913 7.98453 numMergedOcc 0
2 mol 91 unq 0 iso 0 dist 5.22576 5.85411 6.93893 12.3681 10.1359 7.42828 numMergedOcc 0
3 mol 91 unq 1 iso 0 dist 5.22576 5.85411 6.93893 11.7959 11.3866 5.98441 numMergedOcc 0
4 mol 91 unq 2 iso 0 dist 5.22576 5.85411 6.93893 10.2771 9.36488 5.45873 numMergedOcc 0
5 mol 91 unq 3 iso 0 dist 8.65409 11.5545 6.93893 16.4923 10.1359 7.42828 numMergedOcc 0
6 mol 91 unq 4 iso 0 dist 8.65409 11.5545 6.93893 16.5792 11.3866 5.98441 numMergedOcc 0
7 mol 91 unq 5 iso 0 dist 8.65409 11.5545 6.93893 13.4175 9.36488 5.45873 numMergedOcc 0
8 mol 128 unq 0 iso 0 dist 7.33617 3.78348 7.80938 9.53955 7.28982 8.15593 numMergedOcc 0
9 mol 158 unq 0 iso 0 dist 7.47948 11.0307 7.23059 18.4474 11.9567 8.94488 numMergedOcc 0
10 mol 158 unq 1 iso 0 dist 6.06276 8.08759 7.23059 13.6923 11.9567 8.94488 numMergedOcc 0
11 mol 173 unq 0 iso 0 dist 7.71773 14.7762 9.31172 10.0626 5.45307 6.07708 numMergedOcc 0
12 mol 204 unq 0 iso 0 dist 8.68482 5.05475 8.82861 8.66291 14.4545 9.639 numMergedOcc 0
13 mol 256 unq 0 iso 0 dist 9.34785 14.9303 9.65136 22.9669 17.3254 8.73597 numMergedOcc 0
14 mol 256 unq 1 iso 0 dist 9.34785 14.9303 9.65136 21.7747 14.7962 7.32198 numMergedOcc 0
15 mol 271 unq 0 iso 0 dist 8.99843 4.25624 5.75889 10.2471 8.43547 6.70662 numMergedOcc 0
16 mol 271 unq 1 iso 0 dist 7.90629 5.88597 7.03848 5.82864 8.33152 6.70662 numMergedOcc 0
17 mol 271 unq 2 iso 0 dist 9.01599 4.25624 7.03848 10.2471 8.33152 6.70662 numMergedOcc 0
18 mol 278 unq 0 iso 0 dist 4.86518 10.5063 9.73172 14.9289 15.1561 8.91606 numMergedOcc 0
19 mol 294 unq 0 iso 0 dist 5.10476 4.75743 7.14502 7.51626 5.52829 8.83246 numMergedOcc 0
