0 mol 2 unq 0 iso 0 dist 9.74371 9.08872 6.23988 13.588 7.68766 12.8366 9.97525 6.35342 9.58976 4.67907 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 9.32945 8.0166 5.63739 13.2452 7.22054 10.6787 17.302 9.85726 13.148 14.9736 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 9.32945 9.90117 5.38328 13.2452 7.22054 8.62699 17.302 9.85726 10.8678 14.9736 numMergedOcc 0
3 mol 7 unq 2 iso 0 dist 9.90117 8.0166 10.2796 13.2452 8.62699 10.6787 6.96396 7.21217 12.2471 14.3668 numMergedOcc 0
4 mol 7 unq 3 iso 0 dist 9.90117 9.32945 5.38328 13.2452 8.62699 7.22054 6.96396 7.21217 10.2729 14.3668 numMergedOcc 0
5 mol 133 unq 0 iso 0 dist 7.96689 4.83134 8.94234 8.17831 6.00667 8.00919 11.9436 9.48243 13.7358 6.55423 numMergedOcc 0
6 mol 133 unq 1 iso 0 dist 9.6582 5.17734 8.94234 11.5137 6.00667 8.00919 16.3678 9.48243 13.7358 6.55423 numMergedOcc 0
7 mol 175 unq 0 iso 0 dist 6.03184 8.6609 12.0951 4.40729 5.25888 12.4973 5.52686 9.57611 13.3201 5.34813 numMergedOcc 0
8 mol 175 unq 1 iso 0 dist 6.03184 8.6609 12.0951 4.40729 5.25888 12.4973 5.73338 5.08206 10.7272 4.51101 numMergedOcc 0
9 mol 175 unq 2 iso 0 dist 6.03184 6.21546 7.01839 4.40729 5.25888 9.56953 5.52686 9.57611 11.3646 5.34813 numMergedOcc 0
10 mol 175 unq 3 iso 0 dist 6.03184 6.21546 7.01839 4.40729 5.25888 9.56953 5.73338 5.08206 8.69888 4.51101 numMergedOcc 0
11 mol 206 unq 0 iso 0 dist 7.65323 4.51269 7.34999 9.10202 8.75124 12.4229 6.68626 9.99185 10.9686 4.47174 numMergedOcc 0
12 mol 206 unq 1 iso 0 dist 7.65323 4.51269 7.34999 9.10202 8.75124 12.4229 7.20088 8.31638 10.1373 4.1887 numMergedOcc 0
13 mol 206 unq 2 iso 0 dist 8.63033 8.02214 7.07077 10.2573 9.24348 12.3347 12.1408 9.72979 15.8867 11.9391 numMergedOcc 0
14 mol 206 unq 3 iso 0 dist 8.63033 8.02214 7.07077 10.2573 9.24348 12.3347 9.19627 6.97859 12.2199 4.88904 numMergedOcc 0
15 mol 210 unq 0 iso 0 dist 6.24111 8.60412 9.07869 12.1185 8.14122 14.9846 13.3929 9.67457 9.90494 9.53948 numMergedOcc 0
16 mol 210 unq 1 iso 0 dist 9.00343 7.05535 9.07869 13.3105 8.14122 14.9846 12.3088 9.67457 9.90494 9.53948 numMergedOcc 0
17 mol 224 unq 0 iso 0 dist 5.97988 9.37276 8.07582 11.8916 9.9137 17.9504 6.70321 6.08709 13.3653 6.57808 numMergedOcc 0
18 mol 224 unq 1 iso 0 dist 6.6537 9.08719 11.6002 3.74681 8.65729 9.9137 4.55824 9.75313 6.08709 6.57808 numMergedOcc 0
19 mol 224 unq 2 iso 0 dist 9.08719 6.6537 11.6002 3.74681 9.9137 8.65729 4.55824 6.08709 9.75313 6.57808 numMergedOcc 0
20 mol 249 unq 0 iso 0 dist 9.3807 6.18866 5.2966 10.0609 8.73584 10.0702 12.5843 8.91685 7.29898 12.0171 numMergedOcc 0
21 mol 259 unq 0 iso 0 dist 4.55368 8.91916 4.70261 6.49658 6.66413 9.06386 6.18571 7.93997 12.2198 6.82055 numMergedOcc 0
22 mol 274 unq 0 iso 0 dist 9.07452 7.21004 10.3541 9.62798 7.32898 13.5872 6.11218 7.80446 9.91395 4.54436 numMergedOcc 0
23 mol 274 unq 1 iso 0 dist 9.07452 7.21004 10.3541 9.62798 7.32898 13.5872 11.3921 9.86142 13.506 4.84546 numMergedOcc 0
24 mol 274 unq 2 iso 0 dist 7.21004 9.07452 10.3541 5.58669 9.32156 14.5005 6.11218 9.91395 7.80446 9.53794 numMergedOcc 0
25 mol 274 unq 3 iso 0 dist 6.44266 8.75703 10.3541 8.2168 7.32898 13.5872 6.98398 7.80446 9.91395 4.54436 numMergedOcc 0
26 mol 274 unq 4 iso 0 dist 6.44266 8.75703 10.3541 8.2168 7.32898 13.5872 6.99898 9.86142 13.506 4.84546 numMergedOcc 0
27 mol 274 unq 5 iso 0 dist 8.75703 6.44266 10.3541 14.0477 9.32156 14.5005 6.98398 9.91395 7.80446 9.53794 numMergedOcc 0
