0 mol 16 unq 0 iso 0 dist 5.05803 6.57331 4.65873 6.42835 5.01101 6.09368 6.92781 6.31718 8.43054 11.0298 numMergedOcc 0
1 mol 58 unq 0 iso 0 dist 6.35756 8.96727 9.87158 8.01308 5.86526 6.20884 4.81926 6.62496 9.22598 9.55996 numMergedOcc 0
2 mol 60 unq 0 iso 0 dist 8.90863 7.48086 7.80499 9.95132 8.27828 8.42811 6.54743 6.65595 7.57295 12.544 numMergedOcc 0
3 mol 72 unq 0 iso 0 dist 9.78528 6.21799 7.47371 5.03251 9.67587 3.43675 8.24309 9.96708 7.12321 9.35457 numMergedOcc 0
4 mol 72 unq 1 iso 0 dist 9.78528 6.21799 7.47371 7.66093 7.07356 5.75711 8.24309 9.96708 7.12321 12.1131 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 6.19304 7.4369 5.70116 8.68662 6.20232 3.30399 5.4148 9.96396 9.73086 12.2276 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 6.48948 5.92242 3.9764 7.02507 7.03983 9.6331 9.51923 5.08437 5.10496 9.89095 numMergedOcc 0
7 mol 98 unq 1 iso 0 dist 6.48948 5.92242 3.9764 7.02507 7.03983 9.6331 9.42358 6.10456 5.2571 12.7417 numMergedOcc 0
8 mol 98 unq 2 iso 0 dist 6.10456 5.2571 3.9764 7.54889 10.4782 6.70343 8.40073 5.08437 5.10496 9.81956 numMergedOcc 0
9 mol 98 unq 3 iso 0 dist 6.10456 5.2571 3.9764 7.54889 10.4782 6.70343 9.42358 6.48948 5.92242 10.8223 numMergedOcc 0
10 mol 115 unq 0 iso 0 dist 5.83991 9.42082 6.63111 7.69765 4.48636 11.044 7.69052 9.33865 6.39384 13.4105 numMergedOcc 0
11 mol 115 unq 1 iso 0 dist 7.88312 9.42082 6.07067 7.69765 11.835 11.044 7.69052 6.11741 6.39384 13.4105 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 6.37586 7.93372 8.06642 9.33924 6.95573 11.4107 5.49782 8.94367 7.21868 13.9752 numMergedOcc 0
13 mol 134 unq 1 iso 0 dist 9.86662 8.69531 7.41373 9.1998 12.8086 5.83782 6.81259 8.94367 9.33094 11.0808 numMergedOcc 0
14 mol 134 unq 2 iso 0 dist 9.71307 7.93372 4.00092 9.33924 10.2026 11.4107 5.49782 9.86662 7.21868 13.9752 numMergedOcc 0
15 mol 134 unq 3 iso 0 dist 9.71307 8.69531 10.8635 9.1998 15.0225 5.83782 6.81259 6.37586 9.33094 11.0808 numMergedOcc 0
16 mol 142 unq 0 iso 0 dist 9.2313 7.81207 4.67662 7.18002 13.5913 13.4681 5.32922 5.31024 6.14151 10.7696 numMergedOcc 0
17 mol 142 unq 1 iso 0 dist 7.73169 7.81207 5.81599 7.18002 9.99555 13.4681 5.32922 7.26382 6.14151 10.7696 numMergedOcc 0
18 mol 152 unq 0 iso 0 dist 8.56324 6.59889 5.39112 8.9192 4.84714 3.55572 7.65448 6.70283 6.70693 9.27706 numMergedOcc 0
19 mol 192 unq 0 iso 0 dist 5.59424 5.64942 6.35474 9.78634 9.53265 5.9655 5.76246 7.00794 6.97962 12.8149 numMergedOcc 0
20 mol 192 unq 1 iso 0 dist 5.59424 5.64942 6.35474 7.43054 5.25965 3.60331 5.76246 7.00794 6.97962 6.79229 numMergedOcc 0
21 mol 192 unq 2 iso 0 dist 5.59424 7.43054 5.25965 9.78634 9.53265 7.70298 5.76246 7.00794 6.79229 12.8149 numMergedOcc 0
22 mol 192 unq 3 iso 0 dist 5.59424 7.43054 5.25965 5.64942 6.35474 3.60331 5.76246 7.00794 6.79229 6.97962 numMergedOcc 0
23 mol 192 unq 4 iso 0 dist 7.00794 6.97962 6.35474 6.79229 5.25965 3.60331 5.76246 5.59424 5.64942 7.43054 numMergedOcc 0
24 mol 192 unq 5 iso 0 dist 7.00794 6.79229 5.25965 6.97962 6.35474 3.60331 5.76246 5.59424 7.43054 5.64942 numMergedOcc 0
25 mol 259 unq 0 iso 0 dist 7.88519 7.66153 8.8603 9.63573 7.20604 10.3051 4.69778 8.13497 9.07743 12.8229 numMergedOcc 0
26 mol 259 unq 1 iso 0 dist 7.46176 6.95511 11.6988 5.85442 10.067 3.51848 6.96053 7.88519 9.46361 10.3406 numMergedOcc 0
