0 mol 25 unq 0 iso 0 dist 6.5461 9.67946 12.9801 11.4478 8.40483 18.8125 numMergedOcc 0
1 mol 68 unq 0 iso 0 dist 5.97363 7.38868 3.72006 5.57159 7.09757 7.26024 numMergedOcc 0
2 mol 68 unq 1 iso 0 dist 5.97363 9.04129 5.2359 5.57159 7.09757 6.36086 numMergedOcc 0
3 mol 91 unq 0 iso 0 dist 9.13904 8.99674 12.1497 13.6345 8.99376 15.4227 numMergedOcc 0
4 mol 91 unq 1 iso 0 dist 7.10245 8.99674 9.73719 13.6345 7.37948 15.4227 numMergedOcc 0
5 mol 167 unq 0 iso 0 dist 9.08844 7.93807 9.40319 10.292 6.85239 11.6896 numMergedOcc 0
6 mol 167 unq 1 iso 0 dist 9.08844 7.93807 9.40319 5.89138 5.72735 9.67741 numMergedOcc 0
7 mol 192 unq 0 iso 0 dist 6.08455 7.27051 7.52403 5.64431 8.63044 12.0486 numMergedOcc 0
8 mol 192 unq 1 iso 0 dist 6.08455 7.35424 6.91699 5.64431 8.63044 12.708 numMergedOcc 0
9 mol 196 unq 0 iso 0 dist 8.94535 6.67699 3.68546 7.08535 6.11835 6.86319 numMergedOcc 0
10 mol 227 unq 0 iso 0 dist 9.92621 5.87056 5.78036 6.02375 6.40086 6.02296 numMergedOcc 0
11 mol 227 unq 1 iso 0 dist 9.92621 9.84311 14.7628 6.02375 6.40086 9.74265 numMergedOcc 0
12 mol 227 unq 2 iso 0 dist 9.92621 8.85568 16.4453 6.02375 6.40086 14.1717 numMergedOcc 0
13 mol 272 unq 0 iso 0 dist 9.97008 9.1926 14.8278 13.6033 8.97468 21.2875 numMergedOcc 0
14 mol 272 unq 1 iso 0 dist 9.97008 9.17894 17.2633 13.6033 8.97468 21.0795 numMergedOcc 0
15 mol 278 unq 0 iso 0 dist 6.95272 8.71212 5.93697 5.81569 5.77089 10.3267 numMergedOcc 0
16 mol 278 unq 1 iso 0 dist 6.95272 8.60481 7.27472 5.81569 5.77089 6.62841 numMergedOcc 0
17 mol 287 unq 0 iso 0 dist 7.86603 5.62568 5.41757 10.7971 9.29241 6.89451 numMergedOcc 0
18 mol 287 unq 1 iso 0 dist 7.17626 8.82948 5.41757 6.27066 9.29241 6.89451 numMergedOcc 0
19 mol 288 unq 0 iso 0 dist 7.86603 5.62568 5.41757 10.7971 9.29241 6.89451 numMergedOcc 0
20 mol 288 unq 1 iso 0 dist 7.17626 8.82948 5.41757 6.27066 9.29241 6.89451 numMergedOcc 0
21 mol 289 unq 0 iso 0 dist 7.86603 5.62568 5.41757 10.7971 9.29241 6.89451 numMergedOcc 0
22 mol 289 unq 1 iso 0 dist 7.17626 8.82948 5.41757 6.27066 9.29241 6.89451 numMergedOcc 0
