0 mol 26 unq 0 iso 0 dist 9.10233 5.51158 11.9687 7.90324 11.7206 4.04528 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 9.10233 8.13182 10.2714 7.90324 11.7206 4.75209 numMergedOcc 0
2 mol 62 unq 0 iso 0 dist 7.61972 4.85282 4.38574 6.02731 9.53941 7.46975 numMergedOcc 0
3 mol 62 unq 1 iso 0 dist 5.80956 4.85282 7.04908 6.02731 6.76473 7.46975 numMergedOcc 0
4 mol 65 unq 0 iso 0 dist 7.72373 7.62028 4.24391 8.70783 4.37601 6.59475 numMergedOcc 0
5 mol 65 unq 1 iso 0 dist 7.72373 7.62028 4.24391 9.20162 10.2204 13.4516 numMergedOcc 0
6 mol 65 unq 2 iso 0 dist 7.72373 9.61118 13.5928 8.70783 4.37601 15.7536 numMergedOcc 0
7 mol 65 unq 3 iso 0 dist 7.72373 9.61118 13.5928 9.20162 10.2204 8.53806 numMergedOcc 0
8 mol 65 unq 4 iso 0 dist 7.72373 8.72097 12.4738 8.70783 4.37601 12.9305 numMergedOcc 0
9 mol 65 unq 5 iso 0 dist 7.72373 8.72097 12.4738 9.20162 10.2204 4.01708 numMergedOcc 0
10 mol 98 unq 0 iso 0 dist 8.96016 4.3761 12.341 9.66226 14.1628 11.2155 numMergedOcc 0
11 mol 98 unq 1 iso 0 dist 8.96016 5.84583 4.74936 9.66226 14.1628 9.51607 numMergedOcc 0
12 mol 103 unq 0 iso 0 dist 6.95777 8.8763 11.5439 6.37224 9.02065 4.1431 numMergedOcc 0
13 mol 113 unq 0 iso 0 dist 9.16474 9.04398 4.81683 5.7085 7.09012 9.59657 numMergedOcc 0
14 mol 129 unq 0 iso 0 dist 5.51129 4.76012 4.04119 7.98622 6.02377 4.92611 numMergedOcc 0
15 mol 141 unq 0 iso 0 dist 9.42321 8.55237 13.3165 6.03852 6.86926 10.0548 numMergedOcc 0
16 mol 141 unq 1 iso 0 dist 9.42321 8.55237 13.3165 6.26056 11.4786 4.12065 numMergedOcc 0
17 mol 141 unq 2 iso 0 dist 6.55143 8.55237 12.6465 6.03852 4.34943 10.0548 numMergedOcc 0
18 mol 141 unq 3 iso 0 dist 6.55143 8.55237 12.6465 6.26056 9.87387 4.12065 numMergedOcc 0
19 mol 141 unq 4 iso 0 dist 4.35548 8.55237 6.45623 6.03852 4.50791 10.0548 numMergedOcc 0
20 mol 141 unq 5 iso 0 dist 4.35548 8.55237 6.45623 6.26056 4.40308 4.12065 numMergedOcc 0
21 mol 141 unq 6 iso 0 dist 7.5024 7.80661 6.45623 8.97069 4.50791 10.0548 numMergedOcc 0
22 mol 141 unq 7 iso 0 dist 7.5024 7.80661 6.45623 5.7251 4.40308 4.12065 numMergedOcc 0
23 mol 147 unq 0 iso 0 dist 9.47429 8.94007 10.7363 5.53183 7.00503 7.38323 numMergedOcc 0
24 mol 196 unq 0 iso 0 dist 9.28261 8.09572 10.5284 4.83135 10.5488 10.2655 numMergedOcc 0
25 mol 196 unq 1 iso 0 dist 8.40246 8.09572 4.36758 4.83135 11.315 10.2655 numMergedOcc 0
26 mol 196 unq 2 iso 0 dist 8.7291 8.09572 5.92479 4.83135 9.74385 10.2655 numMergedOcc 0
27 mol 233 unq 0 iso 0 dist 8.27116 8.73545 14.0636 5.83278 6.8858 11.4985 numMergedOcc 0
28 mol 233 unq 1 iso 0 dist 8.27116 8.14581 12.4219 5.83278 6.8858 5.74726 numMergedOcc 0
29 mol 260 unq 0 iso 0 dist 7.69551 8.79012 9.65309 7.23618 6.49889 7.55193 numMergedOcc 0
