0 mol 11 unq 0 iso 0 dist 5.59847 10.4181 6.859 15.2411 9.74251 7.98326 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 5.59847 10.4181 6.859 10.4679 6.56765 7.46578 numMergedOcc 0
2 mol 21 unq 0 iso 0 dist 7.01513 6.50188 5.63735 10.2118 6.29572 8.60289 numMergedOcc 0
3 mol 21 unq 1 iso 0 dist 8.09082 7.9574 5.63735 12.5067 6.29572 8.60289 numMergedOcc 0
4 mol 21 unq 2 iso 0 dist 7.5136 7.9574 6.28263 12.5067 5.55622 8.60289 numMergedOcc 0
5 mol 24 unq 0 iso 0 dist 9.04448 15.0242 7.26334 10.9795 4.08755 5.95834 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 9.04448 11.9306 6.19899 10.9795 4.08755 4.2121 numMergedOcc 0
7 mol 24 unq 2 iso 0 dist 9.04448 6.2838 6.61696 10.9795 4.08755 6.72323 numMergedOcc 0
8 mol 24 unq 3 iso 0 dist 6.6834 6.2838 5.80953 10.9795 10.0453 6.72323 numMergedOcc 0
9 mol 25 unq 0 iso 0 dist 9.23015 6.84017 5.20109 12.0615 3.904 6.25843 numMergedOcc 0
10 mol 30 unq 0 iso 0 dist 8.3224 10.8609 5.22979 16.6826 9.01474 7.14464 numMergedOcc 0
11 mol 68 unq 0 iso 0 dist 6.09085 13.0367 7.98985 17.2214 12.5617 6.74766 numMergedOcc 0
12 mol 93 unq 0 iso 0 dist 7.49235 12.8733 9.19977 18.5082 11.7638 8.74378 numMergedOcc 0
13 mol 93 unq 1 iso 0 dist 7.49235 11.3276 7.28831 18.5082 11.7638 8.89417 numMergedOcc 0
14 mol 93 unq 2 iso 0 dist 7.49235 11.3276 7.28831 13.2787 5.93472 9.95255 numMergedOcc 0
15 mol 98 unq 0 iso 0 dist 5.91797 6.3915 9.25444 5.21813 3.92737 7.36769 numMergedOcc 0
16 mol 98 unq 1 iso 0 dist 5.91797 5.081 8.46823 5.21813 3.92737 6.88901 numMergedOcc 0
17 mol 98 unq 2 iso 0 dist 6.37954 6.3915 9.84703 5.21813 3.94967 7.36769 numMergedOcc 0
18 mol 98 unq 3 iso 0 dist 6.37954 5.081 4.62494 5.21813 3.94967 6.88901 numMergedOcc 0
19 mol 131 unq 0 iso 0 dist 8.7231 5.7124 7.75314 9.72811 6.11089 5.87084 numMergedOcc 0
20 mol 141 unq 0 iso 0 dist 5.05627 4.96213 6.65731 13.9797 14.0725 9.10042 numMergedOcc 0
21 mol 141 unq 1 iso 0 dist 5.05627 4.96213 6.65731 13.8576 13.1981 9.75059 numMergedOcc 0
22 mol 141 unq 2 iso 0 dist 5.05627 4.96213 6.65731 6.10556 3.98068 6.83404 numMergedOcc 0
23 mol 184 unq 0 iso 0 dist 8.09403 11.5379 7.58375 6.71675 4.67256 7.54099 numMergedOcc 0
24 mol 232 unq 0 iso 0 dist 8.1692 5.70548 6.59036 11.059 4.68548 9.8664 numMergedOcc 0
25 mol 260 unq 0 iso 0 dist 6.19564 8.565 9.31888 13.6166 9.46408 9.32954 numMergedOcc 0
26 mol 274 unq 0 iso 0 dist 9.61255 4.69368 7.77765 10.7045 13.9324 7.75216 numMergedOcc 0
27 mol 274 unq 1 iso 0 dist 7.64703 4.69368 9.65868 10.7045 10.7442 7.75216 numMergedOcc 0
28 mol 274 unq 2 iso 0 dist 7.64703 11.5711 8.60027 13.9176 13.3632 6.88827 numMergedOcc 0
29 mol 274 unq 3 iso 0 dist 7.64703 11.5711 8.60027 10.3335 5.39432 9.16942 numMergedOcc 0
30 mol 277 unq 0 iso 0 dist 7.88009 9.39798 9.26157 16.8817 16.0346 8.20644 numMergedOcc 0
