0 mol 0 unq 0 iso 0 dist 9.92758 7.96742 10.5215 5.55156 7.88507 11.962 7.1599 14.7993 15.0192 7.15528 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 9.92758 7.19397 11.744 5.55156 7.88507 6.83587 7.1599 14.7993 7.19621 7.15528 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 8.25201 8.41173 6.46764 6.22892 4.83427 6.3027 7.15287 11.158 13.8674 8.41585 numMergedOcc 0
3 mol 14 unq 0 iso 0 dist 8.88058 7.66311 6.09608 8.91266 5.49061 7.00835 4.15151 6.89209 8.39221 6.38364 numMergedOcc 0
4 mol 51 unq 0 iso 0 dist 9.70414 7.95419 7.91247 9.06397 5.82783 5.27155 12.8917 10.5944 13.9156 9.0709 numMergedOcc 0
5 mol 64 unq 0 iso 0 dist 8.25999 8.14932 5.05903 8.66921 7.66905 9.82646 10.8918 15.9093 16.6744 9.67592 numMergedOcc 0
6 mol 64 unq 1 iso 0 dist 8.25999 6.17846 5.43707 8.66921 7.66905 5.33496 10.8918 15.9093 11.6303 9.67592 numMergedOcc 0
7 mol 66 unq 0 iso 0 dist 9.0201 6.85819 5.76688 8.31793 6.68547 5.57361 5.95767 12.6066 10.7538 8.96624 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 8.86521 7.67341 9.95303 8.93552 5.24229 11.909 6.07331 6.04412 11.6732 4.99221 numMergedOcc 0
9 mol 115 unq 1 iso 0 dist 8.86521 7.67341 9.95303 8.35604 10.7649 5.39296 5.3967 12.0631 6.7225 5.11551 numMergedOcc 0
10 mol 115 unq 2 iso 0 dist 8.86521 7.67341 9.95303 8.35604 10.7649 5.39296 11.9798 17.447 10.2695 7.11972 numMergedOcc 0
11 mol 130 unq 0 iso 0 dist 7.77423 7.9663 8.93743 9.05626 9.86628 9.97628 7.09664 13.6645 12.0527 8.70949 numMergedOcc 0
12 mol 224 unq 0 iso 0 dist 8.27538 7.62593 6.27118 4.79841 5.25583 5.41021 11.4653 13.0296 9.33771 8.95269 numMergedOcc 0
13 mol 232 unq 0 iso 0 dist 9.32977 5.92175 3.4689 7.47238 6.64614 4.90814 10.134 13.6896 11.2186 8.27212 numMergedOcc 0
14 mol 239 unq 0 iso 0 dist 9.50474 8.34832 17.1878 9.27989 14.3464 11.4465 12.1502 12.8429 15.8376 6.16342 numMergedOcc 0
15 mol 274 unq 0 iso 0 dist 6.08059 9.07452 5.44831 6.21831 5.55557 6.57235 6.11218 8.30175 7.80446 9.10818 numMergedOcc 0
16 mol 274 unq 1 iso 0 dist 6.08059 7.21004 9.91966 6.21831 5.55557 4.97216 6.11218 8.30175 9.91395 9.10818 numMergedOcc 0
17 mol 276 unq 0 iso 0 dist 7.76689 8.14494 7.93109 5.30976 6.33662 9.95911 7.38126 13.9936 15.3786 9.8993 numMergedOcc 0
18 mol 276 unq 1 iso 0 dist 7.76689 8.14494 7.93109 5.30976 6.33662 9.95911 6.39319 8.79189 13.3495 6.87396 numMergedOcc 0
19 mol 276 unq 2 iso 0 dist 7.07283 8.14494 6.3939 5.30976 9.58401 9.95911 7.38126 12.5562 15.3786 9.8993 numMergedOcc 0
20 mol 276 unq 3 iso 0 dist 7.07283 8.14494 6.3939 5.30976 9.58401 9.95911 6.39319 13.4249 13.3495 6.87396 numMergedOcc 0
21 mol 279 unq 0 iso 0 dist 8.06324 8.57035 5.52492 5.17586 5.31331 6.03718 5.9229 12.6214 14.3672 9.70696 numMergedOcc 0
