0 mol 24 unq 0 iso 0 dist 8.80127 13.6174 5.13078 6.7846 7.18124 11.1587 13.6588 7.19357 7.7447 8.25818 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.80127 13.6174 5.13078 8.03955 6.47026 8.72577 13.6588 7.19357 7.7447 10.2171 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 6.48457 5.11636 5.13078 13.2846 7.18124 11.1587 9.30028 7.19357 7.7447 8.25818 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 6.48457 5.11636 5.13078 12.3897 6.47026 8.72577 9.30028 7.19357 7.7447 10.2171 numMergedOcc 0
4 mol 30 unq 0 iso 0 dist 9.27081 11.2681 9.99577 9.75637 8.28218 3.08756 15.767 9.23676 8.67216 9.63882 numMergedOcc 0
5 mol 30 unq 1 iso 0 dist 9.27081 11.2681 9.99577 6.56837 8.10811 14.5119 15.767 9.23676 8.67216 17.0544 numMergedOcc 0
6 mol 68 unq 0 iso 0 dist 9.18809 7.50975 6.33905 10.9724 8.32093 7.18877 10.4695 10.6352 5.64092 12.4458 numMergedOcc 0
7 mol 68 unq 1 iso 0 dist 9.18809 7.50975 6.33905 10.9724 8.32093 7.18877 13.7382 5.29172 8.71074 7.7485 numMergedOcc 0
8 mol 72 unq 0 iso 0 dist 4.69674 4.03844 7.52245 4.7874 6.48394 5.36604 12.0815 15.3817 8.39955 13.2603 numMergedOcc 0
9 mol 95 unq 0 iso 0 dist 8.82395 4.60151 9.55761 11.8395 9.36638 11.2836 6.38004 5.08555 9.50709 10.9714 numMergedOcc 0
10 mol 113 unq 0 iso 0 dist 5.82487 8.01602 6.03035 11.6076 8.46167 9.59189 9.4359 4.62493 8.67025 5.31126 numMergedOcc 0
11 mol 113 unq 1 iso 0 dist 5.82487 8.01602 6.03035 7.84907 6.13175 10.1118 9.4359 4.62493 8.67025 4.49669 numMergedOcc 0
12 mol 113 unq 2 iso 0 dist 5.82487 8.01602 6.03035 4.11536 4.34107 8.19901 9.4359 4.62493 8.67025 6.00221 numMergedOcc 0
13 mol 116 unq 0 iso 0 dist 8.10448 3.87365 9.02925 5.49724 7.39112 3.43966 8.51123 4.89202 7.54274 6.55227 numMergedOcc 0
14 mol 287 unq 0 iso 0 dist 9.29241 14.0303 9.62446 4.21609 8.70479 11.4704 11.5975 3.39991 8.06767 10.9435 numMergedOcc 0
15 mol 287 unq 1 iso 0 dist 9.29241 18.685 9.99681 4.21609 8.70479 16.9251 11.5975 3.39991 9.91087 10.9435 numMergedOcc 0
16 mol 288 unq 0 iso 0 dist 9.29241 14.0303 9.62446 4.21609 8.70479 11.4704 11.5975 3.39991 8.06767 10.9435 numMergedOcc 0
17 mol 288 unq 1 iso 0 dist 9.29241 18.685 9.99681 4.21609 8.70479 16.9251 11.5975 3.39991 9.91087 10.9435 numMergedOcc 0
18 mol 289 unq 0 iso 0 dist 9.29241 14.0303 9.62446 4.21609 8.70479 11.4704 11.5975 3.39991 8.06767 10.9435 numMergedOcc 0
19 mol 289 unq 1 iso 0 dist 9.29241 18.685 9.99681 4.21609 8.70479 16.9251 11.5975 3.39991 9.91087 10.9435 numMergedOcc 0
