0 mol 8 unq 0 iso 0 dist 9.95165 15.9496 6.82379 13.7215 5.65816 7.03958 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 9.95165 12.915 7.3915 13.7215 5.65816 8.53529 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 9.23617 14.4019 6.92532 21.9482 13.9675 7.75618 numMergedOcc 0
3 mol 19 unq 1 iso 0 dist 8.59114 14.3476 6.92532 20.3266 13.9675 7.75618 numMergedOcc 0
4 mol 19 unq 2 iso 0 dist 8.63204 6.57145 6.92532 12.8718 13.9675 7.75618 numMergedOcc 0
5 mol 24 unq 0 iso 0 dist 4.61828 9.20254 6.60423 13.4332 11.9395 9.41441 numMergedOcc 0
6 mol 33 unq 0 iso 0 dist 5.2746 5.62472 8.00177 11.3446 11.6774 8.83487 numMergedOcc 0
7 mol 60 unq 0 iso 0 dist 7.4674 12.7297 7.55695 10.6158 4.82351 9.90939 numMergedOcc 0
8 mol 60 unq 1 iso 0 dist 8.4928 10.0675 7.55695 8.04272 4.82351 9.90939 numMergedOcc 0
9 mol 65 unq 0 iso 0 dist 5.12044 5.05869 5.69971 7.0386 6.00418 7.90294 numMergedOcc 0
10 mol 65 unq 1 iso 0 dist 5.12044 5.38234 8.37515 8.54555 7.18126 6.76508 numMergedOcc 0
11 mol 65 unq 2 iso 0 dist 5.12044 5.38234 8.37515 7.0386 6.00418 8.22785 numMergedOcc 0
12 mol 85 unq 0 iso 0 dist 9.924 3.85308 7.33422 9.04728 6.85215 7.54568 numMergedOcc 0
13 mol 92 unq 0 iso 0 dist 5.22996 6.09495 6.49956 8.96747 12.0757 8.91313 numMergedOcc 0
14 mol 92 unq 1 iso 0 dist 5.22996 6.09495 6.49956 10.6424 7.64508 8.16392 numMergedOcc 0
15 mol 100 unq 0 iso 0 dist 6.14415 6.89762 7.12017 12.7644 9.38256 7.38135 numMergedOcc 0
16 mol 114 unq 0 iso 0 dist 7.73842 5.24877 6.34525 11.4347 8.51024 6.84011 numMergedOcc 0
17 mol 194 unq 0 iso 0 dist 8.63008 13.445 6.26839 5.4455 5.92931 8.65535 numMergedOcc 0
18 mol 194 unq 1 iso 0 dist 8.63008 10.977 8.83356 14.7117 12.361 8.29382 numMergedOcc 0
19 mol 194 unq 2 iso 0 dist 8.63008 10.977 8.83356 8.09776 7.50057 6.72379 numMergedOcc 0
20 mol 195 unq 0 iso 0 dist 5.46768 7.00308 6.60567 9.25935 6.0634 7.36683 numMergedOcc 0
21 mol 195 unq 1 iso 0 dist 5.46768 7.00308 6.60567 10.146 6.74112 6.95086 numMergedOcc 0
22 mol 195 unq 2 iso 0 dist 5.46768 5.34788 7.62942 9.25935 6.0634 9.26504 numMergedOcc 0
23 mol 237 unq 0 iso 0 dist 9.93731 7.3235 6.50471 12.9427 6.12402 9.60163 numMergedOcc 0
24 mol 278 unq 0 iso 0 dist 8.04138 6.42903 7.67245 9.73172 13.537 6.62841 numMergedOcc 0
25 mol 279 unq 0 iso 0 dist 8.84798 7.7504 6.43341 5.94449 5.89415 9.09855 numMergedOcc 0
