0 mol 93 unq 0 iso 0 dist 4.45006 11.3276 7.4518 7.76629 5.10693 4.34681 18.1502 14.6061 7.83506 10.8976 numMergedOcc 0
1 mol 93 unq 1 iso 0 dist 4.45006 11.3276 7.4518 8.52218 6.58814 5.73248 18.1502 14.6061 7.83506 10.3155 numMergedOcc 0
2 mol 93 unq 2 iso 0 dist 4.45006 11.3276 7.4518 3.83191 6.13459 13.5809 18.1502 14.6061 7.83506 20.602 numMergedOcc 0
3 mol 93 unq 3 iso 0 dist 4.45006 11.3276 7.4518 3.77555 7.54391 14.149 18.1502 14.6061 7.83506 20.1586 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 6.17173 5.91879 8.41411 4.77009 8.73928 3.61204 5.58102 3.78499 7.55367 6.5816 numMergedOcc 0
5 mol 113 unq 0 iso 0 dist 7.92498 5.60987 5.37302 7.50896 7.08403 3.52111 9.91593 3.77247 5.35711 7.02358 numMergedOcc 0
6 mol 113 unq 1 iso 0 dist 7.92498 5.60987 5.37302 7.50896 7.08403 3.52111 6.61697 7.1034 6.23759 9.75234 numMergedOcc 0
7 mol 128 unq 0 iso 0 dist 8.88867 10.172 6.03154 9.10228 8.46801 6.30769 9.38 4.62046 7.4442 6.08651 numMergedOcc 0
8 mol 141 unq 0 iso 0 dist 6.74947 10.7523 8.01453 6.34139 6.41183 5.16197 5.96324 5.51254 9.62774 5.60448 numMergedOcc 0
9 mol 169 unq 0 iso 0 dist 8.11268 5.50901 5.51388 7.64279 7.33643 3.83687 10.0686 3.89732 5.41121 6.96715 numMergedOcc 0
10 mol 169 unq 1 iso 0 dist 8.11268 5.50901 5.51388 7.64279 7.33643 3.83687 6.85177 7.16323 6.35799 10.1862 numMergedOcc 0
11 mol 260 unq 0 iso 0 dist 7.46 8.565 5.68717 8.71923 7.88108 3.60349 10.1475 3.48905 6.49413 9.66527 numMergedOcc 0
12 mol 260 unq 1 iso 0 dist 7.46 8.565 5.68717 8.71923 7.88108 3.60349 8.90109 3.43711 6.12343 7.04263 numMergedOcc 0
13 mol 260 unq 2 iso 0 dist 7.46 8.565 5.68717 8.71923 7.88108 3.60349 13.0717 8.84611 4.52405 6.48099 numMergedOcc 0
14 mol 260 unq 3 iso 0 dist 7.46 8.565 5.68717 9.96926 9.46576 7.28821 10.1475 3.48905 6.49413 8.62655 numMergedOcc 0
15 mol 260 unq 4 iso 0 dist 7.46 8.565 5.68717 9.96926 9.46576 7.28821 8.90109 3.43711 6.12343 11.9844 numMergedOcc 0
16 mol 260 unq 5 iso 0 dist 7.46 8.565 5.68717 9.96926 9.46576 7.28821 13.0717 8.84611 4.52405 9.01781 numMergedOcc 0
17 mol 287 unq 0 iso 0 dist 6.38338 7.53523 7.76945 7.70421 9.1471 3.96271 10.7004 9.51119 9.25759 12.9723 numMergedOcc 0
18 mol 287 unq 1 iso 0 dist 6.38338 7.53523 7.76945 9.73619 7.84189 5.39801 10.7004 9.51119 9.25759 4.68668 numMergedOcc 0
19 mol 288 unq 0 iso 0 dist 6.38338 7.53523 7.76945 7.70421 9.1471 3.96271 10.7004 9.51119 9.25759 12.9723 numMergedOcc 0
20 mol 288 unq 1 iso 0 dist 6.38338 7.53523 7.76945 9.73619 7.84189 5.39801 10.7004 9.51119 9.25759 4.68668 numMergedOcc 0
21 mol 289 unq 0 iso 0 dist 6.38338 7.53523 7.76945 7.70421 9.1471 3.96271 10.7004 9.51119 9.25759 12.9723 numMergedOcc 0
22 mol 289 unq 1 iso 0 dist 6.38338 7.53523 7.76945 9.73619 7.84189 5.39801 10.7004 9.51119 9.25759 4.68668 numMergedOcc 0
