0 mol 33 unq 0 iso 0 dist 8.28474 3.77979 4.64187 11.5516 4.43305 7.95437 numMergedOcc 0
1 mol 68 unq 0 iso 0 dist 9.7662 17.168 9.63906 12.4542 3.20411 7.71872 numMergedOcc 0
2 mol 68 unq 1 iso 0 dist 6.7739 13.4251 9.63906 8.3318 3.20411 7.71872 numMergedOcc 0
3 mol 68 unq 2 iso 0 dist 8.3318 13.4251 7.71872 6.7739 3.20411 9.63906 numMergedOcc 0
4 mol 68 unq 3 iso 0 dist 4.90093 4.58473 5.64092 11.453 12.8321 8.71074 numMergedOcc 0
5 mol 68 unq 4 iso 0 dist 8.82347 6.5455 8.71074 9.5415 12.8321 5.64092 numMergedOcc 0
6 mol 83 unq 0 iso 0 dist 7.88522 11.4291 8.61641 9.78734 5.72008 5.35861 numMergedOcc 0
7 mol 83 unq 1 iso 0 dist 9.55089 7.78693 5.35861 7.22942 5.72008 8.61641 numMergedOcc 0
8 mol 83 unq 2 iso 0 dist 7.22942 7.78693 8.61641 9.55089 5.72008 5.35861 numMergedOcc 0
9 mol 93 unq 0 iso 0 dist 9.15802 10.3243 7.24956 10.3437 2.81832 6.67678 numMergedOcc 0
10 mol 93 unq 1 iso 0 dist 9.15802 10.3243 7.24956 18.2159 11.7564 8.28591 numMergedOcc 0
11 mol 93 unq 2 iso 0 dist 9.15802 10.3243 7.24956 17.533 10.3262 9.40687 numMergedOcc 0
12 mol 141 unq 0 iso 0 dist 7.53168 7.13673 5.95801 5.18805 10.7858 9.92715 numMergedOcc 0
13 mol 141 unq 1 iso 0 dist 5.18805 7.13673 9.92715 7.53168 10.7858 5.95801 numMergedOcc 0
14 mol 168 unq 0 iso 0 dist 7.93917 11.412 7.0961 10.4028 5.29906 8.26768 numMergedOcc 0
15 mol 194 unq 0 iso 0 dist 9.60788 9.85439 5.89939 11.9307 3.78714 4.45769 numMergedOcc 0
16 mol 194 unq 1 iso 0 dist 9.60788 4.87837 8.18853 11.9307 3.78714 8.99961 numMergedOcc 0
17 mol 205 unq 0 iso 0 dist 9.88692 11.3947 7.88986 13.464 13.0936 7.4185 numMergedOcc 0
18 mol 205 unq 1 iso 0 dist 6.11886 9.15903 7.4185 15.7006 13.0936 7.88986 numMergedOcc 0
19 mol 224 unq 0 iso 0 dist 6.04509 9.89658 7.98132 10.8447 5.10881 7.99036 numMergedOcc 0
20 mol 252 unq 0 iso 0 dist 6.71152 12.4427 9.81261 18.0794 14.7288 7.62991 numMergedOcc 0
