0 mol 29 unq 0 iso 0 dist 7.71924 5.36278 8.02814 8.9204 4.40181 7.29489 5.3571 7.71617 9.78134 9.41017 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 8.36915 9.53081 13.2937 6.42242 13.1229 5.84184 7.51675 15.549 11.8077 6.07052 numMergedOcc 0
2 mol 48 unq 1 iso 0 dist 6.01454 9.53081 5.41488 6.42242 6.98858 5.84184 7.51675 11.6399 11.8077 6.07052 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 8.4438 7.58027 9.96367 6.82707 7.94629 12.5165 4.93697 7.75341 10.2801 8.4701 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 8.4438 4.34694 9.65371 6.82707 7.94629 10.5011 4.93697 7.75341 7.47162 8.4701 numMergedOcc 0
5 mol 91 unq 0 iso 0 dist 5.78962 8.91354 7.47242 6.93893 9.0185 5.06999 5.09341 7.77953 9.84288 8.77355 numMergedOcc 0
6 mol 129 unq 0 iso 0 dist 8.34427 9.52061 7.12885 6.48695 9.09658 7.95267 6.57177 14.7747 13.9579 9.35533 numMergedOcc 0
7 mol 134 unq 0 iso 0 dist 7.85526 9.88178 6.01484 7.50264 9.66528 13.5143 10.5179 14.2679 15.0906 7.83568 numMergedOcc 0
8 mol 134 unq 1 iso 0 dist 5.33543 9.88178 10.6104 7.50264 5.45341 13.5143 10.5179 11.9489 15.0906 7.83568 numMergedOcc 0
9 mol 162 unq 0 iso 0 dist 8.954 6.59407 7.84996 6.80226 4.55978 4.93161 4.92282 7.76112 9.44259 8.33407 numMergedOcc 0
10 mol 171 unq 0 iso 0 dist 9.47945 6.19457 10.2353 6.4751 15.864 9.13204 15.1472 24.1913 17.9895 9.34834 numMergedOcc 0
11 mol 171 unq 1 iso 0 dist 9.47945 6.19457 10.2353 6.4751 15.864 9.13204 10.2839 18.6527 12.557 5.74846 numMergedOcc 0
12 mol 239 unq 0 iso 0 dist 8.34832 8.48545 14.2079 6.91534 15.1473 9.08479 3.28983 6.64008 9.993 8.95511 numMergedOcc 0
13 mol 244 unq 0 iso 0 dist 6.51428 7.43391 4.69664 9.97458 16.0237 16.3 8.65358 13.2708 15.3887 6.53416 numMergedOcc 0
14 mol 244 unq 1 iso 0 dist 6.51428 7.79787 13.4155 9.97458 16.0237 4.89551 8.65358 13.2708 8.93589 6.53416 numMergedOcc 0
15 mol 266 unq 0 iso 0 dist 8.61786 8.8646 9.94141 9.54381 5.4894 14.5123 9.91008 13.5799 18.5741 9.63518 numMergedOcc 0
16 mol 266 unq 1 iso 0 dist 8.42706 8.8646 3.93133 9.54381 15.3099 14.5123 9.91008 18.0663 18.5741 9.63518 numMergedOcc 0
17 mol 279 unq 0 iso 0 dist 5.78017 8.03486 7.78018 9.29922 13.4771 15.4124 4.91802 8.9352 8.34313 7.17958 numMergedOcc 0
18 mol 279 unq 1 iso 0 dist 8.78203 8.03486 5.38411 9.29922 12.7014 15.4124 4.91802 5.8845 8.34313 7.17958 numMergedOcc 0
