0 mol 45 unq 0 iso 0 dist 7.97558 8.98789 3.61653 10.9773 9.32898 12.7323 numMergedOcc 0
1 mol 58 unq 0 iso 0 dist 7.88172 9.78668 10.7828 9.94237 6.62229 12.6666 numMergedOcc 0
2 mol 63 unq 0 iso 0 dist 9.22331 9.07614 3.23074 5.44629 5.53589 4.92457 numMergedOcc 0
3 mol 68 unq 0 iso 0 dist 6.34966 4.90093 3.99506 6.48823 8.91427 10.1028 numMergedOcc 0
4 mol 114 unq 0 iso 0 dist 7.78223 9.00059 3.67473 10.8586 9.35942 12.8816 numMergedOcc 0
5 mol 114 unq 1 iso 0 dist 7.78223 9.00059 3.67473 11.0397 7.42482 6.4569 numMergedOcc 0
6 mol 130 unq 0 iso 0 dist 5.96506 6.77638 3.88766 9.65804 9.13191 12.7928 numMergedOcc 0
7 mol 141 unq 0 iso 0 dist 7.35385 9.80185 3.80763 12.6656 6.73983 8.88454 numMergedOcc 0
8 mol 141 unq 1 iso 0 dist 7.35385 9.80185 3.80763 14.7644 8.6387 9.48581 numMergedOcc 0
9 mol 141 unq 2 iso 0 dist 8.35864 9.80185 9.98068 12.6656 7.64956 8.88454 numMergedOcc 0
10 mol 152 unq 0 iso 0 dist 5.11444 8.78397 5.83776 5.77969 5.06613 5.42715 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 9.53805 7.005 5.39534 8.99916 5.45675 8.46395 numMergedOcc 0
12 mol 193 unq 0 iso 0 dist 8.95886 6.63784 11.4882 7.98055 8.43187 11.2075 numMergedOcc 0
13 mol 193 unq 1 iso 0 dist 8.95886 9.00934 9.7301 7.98055 8.43187 10.3286 numMergedOcc 0
14 mol 234 unq 0 iso 0 dist 5.68253 8.33309 3.64991 4.7189 6.00582 6.58003 numMergedOcc 0
15 mol 237 unq 0 iso 0 dist 5.62039 5.12878 3.68966 5.91026 5.06628 7.95072 numMergedOcc 0
16 mol 253 unq 0 iso 0 dist 9.6479 9.137 5.68255 12.0513 8.15091 6.3738 numMergedOcc 0
17 mol 253 unq 1 iso 0 dist 9.6479 8.0127 5.57952 12.0513 8.15091 9.2313 numMergedOcc 0
18 mol 265 unq 0 iso 0 dist 7.49913 6.80043 6.31696 11.5556 8.85062 12.0582 numMergedOcc 0
19 mol 277 unq 0 iso 0 dist 5.92532 9.48076 12.1127 8.7465 7.85414 8.78893 numMergedOcc 0
20 mol 277 unq 1 iso 0 dist 9.55366 9.98309 11.4384 7.23731 8.81717 14.4026 numMergedOcc 0
