0 mol 92 unq 0 iso 0 dist 7.38353 10.3969 7.11127 11.089 3.94069 8.4219 12.5527 8.39069 3.98877 8.10623 numMergedOcc 0
1 mol 93 unq 0 iso 0 dist 4.45006 11.3276 7.4518 18.1502 14.6061 7.83506 17.1565 14.6324 8.98901 5.20429 numMergedOcc 0
2 mol 93 unq 1 iso 0 dist 4.45006 11.3276 7.4518 18.1502 14.6061 7.83506 18.489 15.2647 8.52329 8.71366 numMergedOcc 0
3 mol 98 unq 0 iso 0 dist 6.17173 5.91879 8.41411 5.58102 3.78499 7.55367 4.77009 8.73928 3.61204 6.5816 numMergedOcc 0
4 mol 113 unq 0 iso 0 dist 7.92498 5.60987 5.37302 9.91593 3.77247 5.35711 7.50896 7.08403 3.52111 7.02358 numMergedOcc 0
5 mol 113 unq 1 iso 0 dist 7.92498 5.60987 5.37302 6.61697 7.1034 6.23759 5.70681 11.0815 8.17309 5.31126 numMergedOcc 0
6 mol 113 unq 2 iso 0 dist 7.92498 5.60987 5.37302 6.61697 7.1034 6.23759 5.08157 11.8871 9.30967 7.16619 numMergedOcc 0
7 mol 128 unq 0 iso 0 dist 8.88867 10.172 6.03154 9.38 4.62046 7.4442 9.10228 8.46801 6.30769 6.08651 numMergedOcc 0
8 mol 141 unq 0 iso 0 dist 6.74947 10.7523 8.01453 5.96324 5.51254 9.62774 6.34139 6.41183 5.16197 5.60448 numMergedOcc 0
9 mol 169 unq 0 iso 0 dist 8.11268 5.50901 5.51388 10.0686 3.89732 5.41121 7.64279 7.33643 3.83687 6.96715 numMergedOcc 0
10 mol 169 unq 1 iso 0 dist 8.11268 5.50901 5.51388 6.85177 7.16323 6.35799 5.73931 10.9108 7.83748 5.10589 numMergedOcc 0
11 mol 260 unq 0 iso 0 dist 7.46 8.565 5.68717 10.1475 3.48905 6.49413 9.96926 9.46576 7.28821 8.62655 numMergedOcc 0
12 mol 260 unq 1 iso 0 dist 7.46 8.565 5.68717 8.90109 3.43711 6.12343 8.71923 7.88108 3.60349 7.04263 numMergedOcc 0
13 mol 260 unq 2 iso 0 dist 7.46 8.565 5.68717 13.0717 8.84611 4.52405 8.71923 7.88108 3.60349 6.48099 numMergedOcc 0
14 mol 287 unq 0 iso 0 dist 6.38338 7.53523 7.76945 10.7004 9.51119 9.25759 9.73619 7.84189 5.39801 4.68668 numMergedOcc 0
15 mol 288 unq 0 iso 0 dist 6.38338 7.53523 7.76945 10.7004 9.51119 9.25759 9.73619 7.84189 5.39801 4.68668 numMergedOcc 0
16 mol 289 unq 0 iso 0 dist 6.38338 7.53523 7.76945 10.7004 9.51119 9.25759 9.73619 7.84189 5.39801 4.68668 numMergedOcc 0
