0 mol 29 unq 0 iso 0 dist 9.27422 8.33913 6.73481 8.44709 7.50258 9.50033 15 6.31736 9.12482 12.5611 numMergedOcc 0
1 mol 87 unq 0 iso 0 dist 8.21588 6.02518 6.97882 5.34066 5.62336 6.27329 6.90483 5.6513 5.87906 8.29967 numMergedOcc 0
2 mol 87 unq 1 iso 0 dist 6.62798 6.02518 9.4868 10.7803 9.90256 15.7737 6.90483 7.41574 5.87906 16.1361 numMergedOcc 0
3 mol 87 unq 2 iso 0 dist 6.62798 6.02518 9.4868 5.34066 5.63748 6.27329 6.90483 7.41574 5.87906 8.29967 numMergedOcc 0
4 mol 87 unq 3 iso 0 dist 8.15104 8.93266 6.97882 5.22028 5.62336 6.27329 12.2643 5.6513 5.87906 8.29967 numMergedOcc 0
5 mol 87 unq 4 iso 0 dist 9.94718 8.93266 9.4868 13.2349 9.90256 15.7737 12.2643 7.41574 5.87906 16.1361 numMergedOcc 0
6 mol 87 unq 5 iso 0 dist 9.94718 8.93266 9.4868 5.22028 5.63748 6.27329 12.2643 7.41574 5.87906 8.29967 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 7.40582 3.97579 5.37819 15.2733 8.15664 12.1737 6.17537 5.88809 5.57712 12.0355 numMergedOcc 0
8 mol 102 unq 0 iso 0 dist 7.90927 5.57291 9.22651 11.8843 8.03869 12.1115 8.63253 6.43211 8.07962 13.5823 numMergedOcc 0
9 mol 102 unq 1 iso 0 dist 7.90927 5.57291 9.22651 11.8843 8.03869 12.1115 5.15752 6.93587 9.54857 13.3886 numMergedOcc 0
10 mol 102 unq 2 iso 0 dist 7.90927 6.91222 5.32892 11.8843 8.03869 7.26176 8.63253 6.43211 7.58908 13.5823 numMergedOcc 0
11 mol 102 unq 3 iso 0 dist 7.90927 6.91222 5.32892 11.8843 8.03869 7.26176 5.15752 6.93587 9.32058 13.3886 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 7.47105 7.0088 7.17051 11.193 9.2759 5.9683 13.2105 13.6469 9.63488 14.5752 numMergedOcc 0
13 mol 139 unq 0 iso 0 dist 7.83417 4.71927 5.77343 7.11333 8.78382 4.19005 12.2917 6.5333 8.27507 8.66615 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 9.35708 10.7753 5.31333 12.3139 9.2254 4.43567 9.76509 9.79728 9.89709 12.9319 numMergedOcc 0
15 mol 204 unq 0 iso 0 dist 6.58174 10.0944 8.40718 10.9794 6.20044 12.4189 13.983 11.2342 5.67196 15.675 numMergedOcc 0
16 mol 204 unq 1 iso 0 dist 6.58174 10.0944 8.40718 9.00243 8.41232 12.8445 13.983 11.2342 5.67196 17.678 numMergedOcc 0
17 mol 273 unq 0 iso 0 dist 7.29081 13.9951 6.73794 12.2394 5.78262 3.92089 8.24507 4.62586 8.78928 9.57582 numMergedOcc 0
18 mol 273 unq 1 iso 0 dist 7.29081 13.9951 6.73794 7.5139 7.6489 12.0094 8.24507 4.62586 8.78928 11.4985 numMergedOcc 0
19 mol 287 unq 0 iso 0 dist 4.98604 4.91435 7.47179 5.51191 6.45597 6.53276 11.6989 10.9407 8.34389 13.1573 numMergedOcc 0
20 mol 288 unq 0 iso 0 dist 4.98604 4.91435 7.47179 5.51191 6.45597 6.53276 11.6989 10.9407 8.34389 13.1573 numMergedOcc 0
21 mol 289 unq 0 iso 0 dist 4.98604 4.91435 7.47179 5.51191 6.45597 6.53276 11.6989 10.9407 8.34389 13.1573 numMergedOcc 0
