0 mol 11 unq 0 iso 0 dist 5.7435 11.1513 9.53002 4.08268 4.30695 11.9464 9.79134 8.01262 16.7805 6.03873 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 5.7435 11.1513 9.53002 4.08268 4.30695 11.9464 8.98102 6.58046 3.56133 8.84131 numMergedOcc 0
2 mol 11 unq 2 iso 0 dist 5.7435 11.1513 9.53002 4.24301 6.35398 7.5901 9.79134 8.01262 16.7805 12.9584 numMergedOcc 0
3 mol 11 unq 3 iso 0 dist 5.7435 11.1513 9.53002 4.24301 6.35398 7.5901 8.98102 6.58046 3.56133 6.51674 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 8.38387 6.35048 9.83618 7.13085 8.95682 4.54282 4.15592 9.02471 10.4465 10.4863 numMergedOcc 0
5 mol 58 unq 0 iso 0 dist 4.88613 9.80755 8.89374 4.37642 7.68678 12.0055 6.09663 7.17488 4.43437 8.76454 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 8.06168 4.65267 7.13087 4.53047 6.02816 6.93907 15.6688 8.62079 15.7104 12.0718 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 8.67532 13.4661 7.13087 7.05537 6.02816 6.93907 8.22845 8.62079 15.7104 12.0718 numMergedOcc 0
8 mol 131 unq 0 iso 0 dist 7.81337 6.25099 6.91348 4.34786 8.70296 9.93183 3.97269 8.80895 6.25029 5.92118 numMergedOcc 0
9 mol 131 unq 1 iso 0 dist 7.81337 6.25099 6.91348 11.6607 9.25558 5.90177 3.97269 8.80895 6.25029 10.2176 numMergedOcc 0
10 mol 131 unq 2 iso 0 dist 7.81337 14.8295 9.51418 4.34786 8.70296 16.5048 3.97269 8.80895 13.4297 5.92118 numMergedOcc 0
11 mol 131 unq 3 iso 0 dist 7.81337 14.8295 9.51418 11.6607 9.25558 5.70899 3.97269 8.80895 13.4297 10.2176 numMergedOcc 0
12 mol 181 unq 0 iso 0 dist 9.84952 11.14 7.98142 6.78739 5.94469 8.93991 3.59953 8.29467 9.55459 3.63671 numMergedOcc 0
13 mol 181 unq 1 iso 0 dist 9.84952 10.9006 7.37327 6.78739 5.94469 5.35588 3.59953 8.29467 7.66761 3.63671 numMergedOcc 0
14 mol 218 unq 0 iso 0 dist 8.5119 9.20149 7.18041 4.87337 6.1951 6.16211 6.03974 6.1896 4.24855 5.34495 numMergedOcc 0
15 mol 218 unq 1 iso 0 dist 8.5119 9.20149 7.18041 4.87337 6.1951 6.16211 8.65933 6.09255 5.31276 3.83106 numMergedOcc 0
16 mol 218 unq 2 iso 0 dist 8.5119 11.711 7.17547 4.87337 6.1951 7.21048 6.03974 6.1896 10.7049 5.34495 numMergedOcc 0
17 mol 218 unq 3 iso 0 dist 8.5119 11.711 7.17547 4.87337 6.1951 7.21048 8.65933 6.09255 4.36581 3.83106 numMergedOcc 0
18 mol 222 unq 0 iso 0 dist 9.55777 5.78005 6.82208 12.979 7.67576 7.39748 9.08651 5.1609 3.72064 3.98604 numMergedOcc 0
19 mol 222 unq 1 iso 0 dist 9.55777 5.78005 6.82208 4.05539 9.82371 5.08928 9.08651 5.1609 3.72064 7.99695 numMergedOcc 0
20 mol 235 unq 0 iso 0 dist 9.11256 14.9183 9.58736 3.93066 9.55668 13.128 3.76405 8.08965 14.2299 6.82702 numMergedOcc 0
21 mol 235 unq 1 iso 0 dist 7.08539 4.28284 9.58736 13.0408 9.55668 13.128 12.0808 8.08965 14.2299 6.82702 numMergedOcc 0
22 mol 238 unq 0 iso 0 dist 9.32451 4.81145 6.05141 16.2294 8.94014 11.5793 4.71803 8.94231 3.94343 13.4894 numMergedOcc 0
