0 mol 60 unq 0 iso 0 dist 9.34193 11.7103 4.65127 13.1258 8.97364 4.82351 numMergedOcc 0
1 mol 68 unq 0 iso 0 dist 6.34966 6.48823 8.91427 9.80391 6.74766 7.53895 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 6.91141 4.73318 6.48232 5.23492 8.87464 7.86177 numMergedOcc 0
3 mol 85 unq 0 iso 0 dist 5.79841 13.3069 8.70863 15.4219 9.66222 8.31077 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 4.96613 6.4628 6.62972 5.24592 7.14031 8.53212 numMergedOcc 0
5 mol 112 unq 0 iso 0 dist 9.69961 4.26804 9.77017 9.59885 7.80873 7.22444 numMergedOcc 0
6 mol 114 unq 0 iso 0 dist 7.78223 10.8586 9.35942 9.76297 8.42878 10.5177 numMergedOcc 0
7 mol 114 unq 1 iso 0 dist 7.78223 11.0397 7.42482 9.76297 8.42878 8.66057 numMergedOcc 0
8 mol 116 unq 0 iso 0 dist 6.63731 8.27695 8.79367 10.0162 8.38606 12.2604 numMergedOcc 0
9 mol 119 unq 0 iso 0 dist 6.13508 7.09096 9.9151 5.01597 7.20249 4.99495 numMergedOcc 0
10 mol 129 unq 0 iso 0 dist 9.86237 7.02655 9.98397 4.68204 9.73158 5.51078 numMergedOcc 0
11 mol 129 unq 1 iso 0 dist 9.86237 7.02655 9.98397 9.09658 7.59327 6.80501 numMergedOcc 0
12 mol 129 unq 2 iso 0 dist 9.86237 10.2048 9.94578 4.68204 9.73158 6.84211 numMergedOcc 0
13 mol 129 unq 3 iso 0 dist 9.86237 10.2048 9.94578 9.09658 7.59327 4.53459 numMergedOcc 0
14 mol 141 unq 0 iso 0 dist 7.35385 12.6656 6.73983 7.20376 6.75376 8.69924 numMergedOcc 0
15 mol 141 unq 1 iso 0 dist 7.35385 14.7644 8.6387 7.20376 6.75376 9.33878 numMergedOcc 0
16 mol 141 unq 2 iso 0 dist 8.35864 12.6656 7.64956 7.20376 9.10042 8.69924 numMergedOcc 0
17 mol 141 unq 3 iso 0 dist 8.35864 12.6656 7.64956 10.1764 9.75059 9.41497 numMergedOcc 0
18 mol 141 unq 4 iso 0 dist 8.35864 12.6656 7.64956 14.3045 6.83404 9.53115 numMergedOcc 0
19 mol 186 unq 0 iso 0 dist 9.53805 8.99916 5.45675 8.03698 6.21159 5.81211 numMergedOcc 0
20 mol 226 unq 0 iso 0 dist 9.61639 11.7881 6.26945 13.4246 5.70795 6.85639 numMergedOcc 0
21 mol 232 unq 0 iso 0 dist 6.23146 8.14788 8.28466 13.2043 9.8664 12.721 numMergedOcc 0
22 mol 237 unq 0 iso 0 dist 5.62039 5.91026 5.06628 8.50643 8.10254 5.90415 numMergedOcc 0
23 mol 256 unq 0 iso 0 dist 7.40057 13.0191 8.89892 10.7996 6.33496 4.55079 numMergedOcc 0
24 mol 256 unq 1 iso 0 dist 7.40057 13.0191 8.89892 6.82173 6.00636 7.29918 numMergedOcc 0
25 mol 256 unq 2 iso 0 dist 7.40057 13.0191 8.89892 14.0229 7.81448 8.66399 numMergedOcc 0
26 mol 256 unq 3 iso 0 dist 7.40057 13.0191 8.89892 15.2736 8.54499 6.4708 numMergedOcc 0
27 mol 265 unq 0 iso 0 dist 7.49913 11.5556 8.85062 11.806 8.984 5.37186 numMergedOcc 0
28 mol 274 unq 0 iso 0 dist 8.30714 12.5565 7.79704 8.44509 7.75216 5.57372 numMergedOcc 0
29 mol 274 unq 1 iso 0 dist 8.30714 16.5768 9.39276 8.44509 7.75216 12.4711 numMergedOcc 0
30 mol 274 unq 2 iso 0 dist 9.02661 16.9837 8.2997 14.7933 6.88827 5.36428 numMergedOcc 0
31 mol 274 unq 3 iso 0 dist 9.02661 16.9837 8.2997 7.09841 9.16942 14.986 numMergedOcc 0
32 mol 277 unq 0 iso 0 dist 5.92532 8.7465 7.85414 5.10104 8.20644 5.43373 numMergedOcc 0
