0 mol 79 unq 0 iso 0 dist 7.74131 7.06029 6.82396 6.05149 11.1999 6.65972 5.55798 4.20398 4.13187 8.64686 numMergedOcc 0
1 mol 129 unq 0 iso 0 dist 9.0455 7.84813 3.54691 5.0466 7.13958 4.4077 6.65878 4.74644 6.61102 7.6453 numMergedOcc 0
2 mol 192 unq 0 iso 0 dist 9.80584 5.05414 9.70184 4.65303 8.86627 5.03588 5.21088 8.61606 3.9335 7.36571 numMergedOcc 0
3 mol 192 unq 1 iso 0 dist 9.80584 5.05414 9.70184 4.65303 8.86627 5.03588 12.3136 4.25327 10.9472 9.80122 numMergedOcc 0
4 mol 192 unq 2 iso 0 dist 9.80584 5.05414 9.70184 4.65303 8.86627 5.03588 8.25609 4.97164 10.6087 9.17137 numMergedOcc 0
5 mol 192 unq 3 iso 0 dist 7.95713 5.05414 8.12818 4.65303 9.10569 5.03588 5.21088 5.41356 3.9335 7.36571 numMergedOcc 0
6 mol 192 unq 4 iso 0 dist 7.95713 5.05414 8.12818 4.65303 9.10569 5.03588 12.3136 8.1874 10.9472 9.80122 numMergedOcc 0
7 mol 192 unq 5 iso 0 dist 7.95713 5.05414 8.12818 4.65303 9.10569 5.03588 8.25609 4.87986 10.6087 9.17137 numMergedOcc 0
8 mol 204 unq 0 iso 0 dist 9.91429 8.49554 5.04761 5.55359 11.6439 9.92651 13.5496 15.1673 11.8097 9.52029 numMergedOcc 0
9 mol 210 unq 0 iso 0 dist 9.718 9.49242 12.6983 13.3519 19.7875 7.95917 14.1595 16.4288 4.68656 8.05949 numMergedOcc 0
10 mol 210 unq 1 iso 0 dist 8.61629 9.49242 9.16249 13.3519 16.3076 7.95917 14.1595 12.7249 4.68656 8.05949 numMergedOcc 0
11 mol 214 unq 0 iso 0 dist 8.80167 9.68612 6.62122 17.6762 11.277 9.46274 22.9052 15.6461 14.085 5.86911 numMergedOcc 0
12 mol 214 unq 1 iso 0 dist 8.80167 9.68612 6.62122 17.6762 11.277 9.46274 20.9423 13.0604 12.4498 7.89258 numMergedOcc 0
13 mol 283 unq 0 iso 0 dist 8.36393 9.35302 15.5185 7.83784 14.7983 5.38739 13.8701 16.947 8.09099 9.28067 numMergedOcc 0
14 mol 285 unq 0 iso 0 dist 8.12306 5.28731 10.1123 6.37482 5.76796 7.08681 13.5396 11.2606 11.2722 7.872 numMergedOcc 0
15 mol 285 unq 1 iso 0 dist 8.12306 5.28731 10.1123 6.37482 5.76796 7.08681 7.38536 8.7778 3.57803 6.32984 numMergedOcc 0
16 mol 286 unq 0 iso 0 dist 5.03123 8.87916 9.30848 11.156 14.2677 8.08382 13.3562 14.9051 5.76615 6.83763 numMergedOcc 0
17 mol 287 unq 0 iso 0 dist 9.39409 6.16127 11.7613 5.66584 6.76192 9.31611 7.3388 8.37461 5.03775 6.96774 numMergedOcc 0
18 mol 287 unq 1 iso 0 dist 9.39409 6.16127 11.7613 5.66584 6.76192 9.31611 6.96248 4.03583 8.95194 7.14859 numMergedOcc 0
19 mol 287 unq 2 iso 0 dist 9.39409 6.16127 11.7613 5.27724 14.3463 6.25845 12.2535 19.0444 8.01657 8.40726 numMergedOcc 0
20 mol 287 unq 3 iso 0 dist 9.39409 6.16127 11.7613 5.27724 14.3463 6.25845 6.19545 12.2952 4.00861 5.15923 numMergedOcc 0
21 mol 288 unq 0 iso 0 dist 9.39409 6.16127 11.7613 5.66584 6.76192 9.31611 7.3388 8.37461 5.03775 6.96774 numMergedOcc 0
22 mol 288 unq 1 iso 0 dist 9.39409 6.16127 11.7613 5.66584 6.76192 9.31611 6.96248 4.03583 8.95194 7.14859 numMergedOcc 0
23 mol 288 unq 2 iso 0 dist 9.39409 6.16127 11.7613 5.27724 14.3463 6.25845 12.2535 19.0444 8.01657 8.40726 numMergedOcc 0
24 mol 288 unq 3 iso 0 dist 9.39409 6.16127 11.7613 5.27724 14.3463 6.25845 6.19545 12.2952 4.00861 5.15923 numMergedOcc 0
25 mol 289 unq 0 iso 0 dist 9.39409 6.16127 11.7613 5.66584 6.76192 9.31611 7.3388 8.37461 5.03775 6.96774 numMergedOcc 0
26 mol 289 unq 1 iso 0 dist 9.39409 6.16127 11.7613 5.66584 6.76192 9.31611 6.96248 4.03583 8.95194 7.14859 numMergedOcc 0
27 mol 289 unq 2 iso 0 dist 9.39409 6.16127 11.7613 5.27724 14.3463 6.25845 12.2535 19.0444 8.01657 8.40726 numMergedOcc 0
28 mol 289 unq 3 iso 0 dist 9.39409 6.16127 11.7613 5.27724 14.3463 6.25845 6.19545 12.2952 4.00861 5.15923 numMergedOcc 0
