0 mol 25 unq 0 iso 0 dist 6.23095 7.40735 7.685 11.9503 7.6114 7.1845 numMergedOcc 0
1 mol 39 unq 0 iso 0 dist 9.45639 6.82829 7.33969 5.34459 8.70192 6.58458 numMergedOcc 0
2 mol 39 unq 1 iso 0 dist 9.45639 8.83903 7.45237 5.34459 8.70192 10.5834 numMergedOcc 0
3 mol 39 unq 2 iso 0 dist 5.00126 6.37567 7.33969 7.71511 8.70192 6.58458 numMergedOcc 0
4 mol 39 unq 3 iso 0 dist 5.00126 5.92759 7.45237 7.71511 8.70192 10.5834 numMergedOcc 0
5 mol 45 unq 0 iso 0 dist 9.17045 10.9036 6.99408 6.3858 5.94756 4.51883 numMergedOcc 0
6 mol 45 unq 1 iso 0 dist 6.32012 5.19805 6.99408 5.52643 5.94756 4.51883 numMergedOcc 0
7 mol 72 unq 0 iso 0 dist 6.68311 13.1473 6.77912 8.89611 7.12321 9.88768 numMergedOcc 0
8 mol 72 unq 1 iso 0 dist 6.7212 5.00053 7.321 11.1406 9.55118 6.74416 numMergedOcc 0
9 mol 72 unq 2 iso 0 dist 6.7212 5.00053 7.321 8.28664 9.10345 5.63793 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 8.124 10.0721 4.65521 15.7072 8.68662 6.10063 numMergedOcc 0
11 mol 73 unq 1 iso 0 dist 8.124 10.0721 4.65521 15.2252 7.4369 6.15714 numMergedOcc 0
12 mol 76 unq 0 iso 0 dist 8.41567 7.5192 6.21982 6.65453 6.72869 4.00608 numMergedOcc 0
13 mol 76 unq 1 iso 0 dist 5.56964 11.2136 8.97793 6.65453 9.85905 9.21694 numMergedOcc 0
14 mol 76 unq 2 iso 0 dist 5.56964 7.5192 8.19682 6.65453 9.85905 4.00608 numMergedOcc 0
15 mol 76 unq 3 iso 0 dist 6.62246 9.82998 6.21982 7.15288 6.72869 4.00608 numMergedOcc 0
16 mol 86 unq 0 iso 0 dist 8.40609 6.82648 7.79359 4.74546 7.90423 9.49725 numMergedOcc 0
17 mol 92 unq 0 iso 0 dist 5.90776 11.7423 7.96555 5.30951 7.13008 10.6094 numMergedOcc 0
18 mol 100 unq 0 iso 0 dist 8.92577 7.38658 8.72704 10.5559 7.82475 12.5061 numMergedOcc 0
19 mol 100 unq 1 iso 0 dist 8.92577 7.38658 8.72704 11.1947 5.35782 12.1093 numMergedOcc 0
20 mol 100 unq 2 iso 0 dist 9.56324 15.7025 8.72704 15.353 7.82475 12.5061 numMergedOcc 0
21 mol 100 unq 3 iso 0 dist 9.56324 15.7025 8.72704 12.9628 5.35782 12.1093 numMergedOcc 0
22 mol 109 unq 0 iso 0 dist 8.84523 5.38332 5.87358 10.5361 7.07971 5.15674 numMergedOcc 0
23 mol 114 unq 0 iso 0 dist 9.62866 11.5609 6.73814 6.76872 5.7144 4.81369 numMergedOcc 0
24 mol 115 unq 0 iso 0 dist 8.97043 7.266 9.66954 7.34308 6.39384 6.49835 numMergedOcc 0
25 mol 115 unq 1 iso 0 dist 8.97043 11.6637 7.64585 7.34308 6.39384 5.65471 numMergedOcc 0
26 mol 117 unq 0 iso 0 dist 7.0318 5.70073 6.62561 7.5937 6.10127 6.95589 numMergedOcc 0
27 mol 134 unq 0 iso 0 dist 7.27598 7.26771 5.42582 4.70162 9.33924 6.0991 numMergedOcc 0
28 mol 134 unq 1 iso 0 dist 7.27598 7.26771 5.42582 12.487 7.93372 5.67107 numMergedOcc 0
29 mol 141 unq 0 iso 0 dist 7.34465 11.9359 6.93652 11.1983 8.07097 4.22522 numMergedOcc 0
30 mol 142 unq 0 iso 0 dist 9.14908 11.8956 9.07935 9.15345 6.14151 5.26247 numMergedOcc 0
31 mol 195 unq 0 iso 0 dist 8.3705 12.124 8.36117 4.29894 9.03441 9.33403 numMergedOcc 0
32 mol 195 unq 1 iso 0 dist 8.3705 6.91511 6.77578 4.29894 9.03441 4.191 numMergedOcc 0
33 mol 227 unq 0 iso 0 dist 9.60159 7.35206 8.17891 5.19262 5.23634 4.09934 numMergedOcc 0
34 mol 238 unq 0 iso 0 dist 8.96639 12.8735 9.68513 9.54858 8.82351 5.99163 numMergedOcc 0
35 mol 238 unq 1 iso 0 dist 8.96639 10.761 5.9216 9.54858 8.82351 4.40419 numMergedOcc 0
36 mol 238 unq 2 iso 0 dist 7.64276 13.9044 6.55759 4.48114 9.12776 15.4844 numMergedOcc 0
37 mol 238 unq 3 iso 0 dist 7.64276 13.3748 7.02475 4.48114 9.12776 13.037 numMergedOcc 0
38 mol 238 unq 4 iso 0 dist 7.64276 11.6924 7.67322 4.48114 9.12776 9.75095 numMergedOcc 0
39 mol 238 unq 5 iso 0 dist 7.64276 5.61491 7.19008 4.48114 9.12776 6.12722 numMergedOcc 0
40 mol 241 unq 0 iso 0 dist 8.98668 13.6264 6.83797 5.65355 7.95042 12.0248 numMergedOcc 0
