0 mol 5 unq 0 iso 0 dist 4.9568 4.42081 7.56229 5.2392 3.33561 9.22027 numMergedOcc 0
1 mol 68 unq 0 iso 0 dist 8.18214 6.4113 5.64092 10.7153 3.74917 5.7369 numMergedOcc 0
2 mol 79 unq 0 iso 0 dist 7.06029 10.0025 9.04293 9.55191 5.9297 8.64934 numMergedOcc 0
3 mol 79 unq 1 iso 0 dist 7.06029 6.35003 4.78333 9.55191 5.9297 8.7515 numMergedOcc 0
4 mol 93 unq 0 iso 0 dist 6.13459 12.9872 8.30921 9.5454 5.31693 7.23305 numMergedOcc 0
5 mol 93 unq 1 iso 0 dist 7.54391 12.9872 7.39732 9.5454 3.09636 7.23305 numMergedOcc 0
6 mol 168 unq 0 iso 0 dist 6.48066 9.98239 6.53038 14.6843 8.60565 8.32353 numMergedOcc 0
7 mol 184 unq 0 iso 0 dist 9.10344 6.60692 7.25623 8.27396 3.30691 4.61596 numMergedOcc 0
8 mol 186 unq 0 iso 0 dist 6.99587 3.6848 9.17458 6.26168 5.53349 8.5672 numMergedOcc 0
9 mol 186 unq 1 iso 0 dist 6.99587 5.33968 6.94594 9.18289 4.97041 5.67168 numMergedOcc 0
10 mol 186 unq 2 iso 0 dist 4.37577 3.6848 7.36794 6.26168 4.65666 8.5672 numMergedOcc 0
11 mol 186 unq 3 iso 0 dist 4.37577 5.33968 5.81881 9.18289 6.50779 5.67168 numMergedOcc 0
12 mol 204 unq 0 iso 0 dist 9.12524 9.69119 8.23717 16.8602 9.94456 9.26214 numMergedOcc 0
13 mol 204 unq 1 iso 0 dist 9.12524 9.69119 8.23717 10.8198 4.7839 5.00369 numMergedOcc 0
14 mol 205 unq 0 iso 0 dist 8.93485 6.10058 7.68686 6.41148 6.49396 5.03818 numMergedOcc 0
15 mol 205 unq 1 iso 0 dist 8.93485 6.10058 7.68686 12.239 8.93955 6.40171 numMergedOcc 0
16 mol 205 unq 2 iso 0 dist 5.66636 3.50446 7.68686 5.06713 6.49396 5.03818 numMergedOcc 0
17 mol 205 unq 3 iso 0 dist 5.66636 3.50446 7.68686 8.69512 8.93955 6.40171 numMergedOcc 0
18 mol 222 unq 0 iso 0 dist 4.90656 4.91709 8.88902 8.86886 10.1968 8.14294 numMergedOcc 0
19 mol 243 unq 0 iso 0 dist 6.46793 6.76489 9.53137 10.4087 8.97648 8.30024 numMergedOcc 0
20 mol 243 unq 1 iso 0 dist 6.46793 6.76489 9.53137 13.0938 14.0671 8.20943 numMergedOcc 0
