0 mol 26 unq 0 iso 0 dist 9.15677 16.4682 8.34347 10.1983 5.3315 6.88695 18.2862 10.8071 4.09495 8.6112 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 9.61029 14.3476 8.34347 14.2961 5.3315 6.88695 15.6024 10.8071 4.09495 8.6112 numMergedOcc 0
2 mol 59 unq 0 iso 0 dist 7.67586 5.03832 6.85766 6.17977 5.34079 8.05508 5.74095 6.65344 5.29688 4.67917 numMergedOcc 0
3 mol 59 unq 1 iso 0 dist 7.67586 5.03832 6.85766 6.17977 5.34079 8.05508 9.53452 10.9882 12.0007 5.81747 numMergedOcc 0
4 mol 59 unq 2 iso 0 dist 8.97292 7.2878 6.85766 9.76644 5.34079 8.05508 6.00486 6.65344 5.29688 4.67917 numMergedOcc 0
5 mol 59 unq 3 iso 0 dist 8.97292 7.2878 6.85766 9.76644 5.34079 8.05508 11.9828 10.9882 12.0007 5.81747 numMergedOcc 0
6 mol 95 unq 0 iso 0 dist 6.05043 6.40193 7.27724 8.54807 5.33325 9.65047 12.9313 12.146 16.7208 8.36326 numMergedOcc 0
7 mol 127 unq 0 iso 0 dist 9.79448 6.02237 9.30299 14.0423 8.60326 9.42513 7.77659 9.8685 4.70935 9.16999 numMergedOcc 0
8 mol 132 unq 0 iso 0 dist 9.0339 15.9368 7.7059 11.9089 4.90475 8.7366 15.8095 11.8382 12.3669 8.883 numMergedOcc 0
9 mol 214 unq 0 iso 0 dist 8.3035 6.23589 8.82096 6.99667 4.55245 4.84709 7.73947 10.961 5.67031 8.80167 numMergedOcc 0
10 mol 214 unq 1 iso 0 dist 9.01896 7.3913 8.82096 6.22499 4.55245 4.84709 12.5418 10.961 5.67031 8.80167 numMergedOcc 0
11 mol 238 unq 0 iso 0 dist 7.13194 9.05069 5.72887 18.1418 12.521 9.94315 12.9607 10.2894 5.65577 7.82564 numMergedOcc 0
12 mol 238 unq 1 iso 0 dist 7.13194 9.05069 5.72887 18.1418 12.521 9.94315 16.1918 14.3542 10.5703 9.91136 numMergedOcc 0
13 mol 238 unq 2 iso 0 dist 7.13194 9.05069 5.72887 15.8518 9.18011 8.59074 12.9607 10.2894 5.65577 9.51177 numMergedOcc 0
14 mol 238 unq 3 iso 0 dist 7.80166 6.77788 5.72887 12.7061 12.521 9.94315 6.89134 10.2894 5.65577 7.82564 numMergedOcc 0
15 mol 238 unq 4 iso 0 dist 7.80166 6.77788 5.72887 12.7061 12.521 9.94315 8.69188 14.3542 10.5703 9.91136 numMergedOcc 0
16 mol 238 unq 5 iso 0 dist 7.80166 6.77788 5.72887 12.3224 9.18011 8.59074 6.89134 10.2894 5.65577 9.51177 numMergedOcc 0
17 mol 238 unq 6 iso 0 dist 9.2521 12.8083 6.22714 20.1729 12.2428 9.66555 16.4589 10.9193 5.60375 7.82564 numMergedOcc 0
18 mol 238 unq 7 iso 0 dist 9.2521 12.8083 6.22714 20.1729 12.2428 9.66555 19.274 14.9617 10.42 9.51177 numMergedOcc 0
19 mol 238 unq 8 iso 0 dist 9.2521 12.8083 6.22714 17.3899 8.66185 8.67205 16.4589 10.9193 5.60375 9.91136 numMergedOcc 0
20 mol 258 unq 0 iso 0 dist 7.22378 6.8193 6.60405 10.9873 6.48867 5.73834 7.69304 9.98141 4.16729 8.37512 numMergedOcc 0
21 mol 259 unq 0 iso 0 dist 6.49599 14.1932 8.13497 16.214 10.4985 5.90645 11.5386 8.06771 6.64729 9.05363 numMergedOcc 0
22 mol 292 unq 0 iso 0 dist 5.69465 8.46956 8.2734 9.22345 8.04474 9.30668 10.9754 7.53641 5.58251 8.35169 numMergedOcc 0
