0 mol 21 unq 0 iso 0 dist 8.90496 9.24767 3.76294 10.0083 8.60289 10.9282 numMergedOcc 0
1 mol 68 unq 0 iso 0 dist 6.27321 6.72469 7.71726 11.3732 6.74766 13.7421 numMergedOcc 0
2 mol 92 unq 0 iso 0 dist 6.14674 6.99586 6.48115 10.0075 6.77241 10.6572 numMergedOcc 0
3 mol 98 unq 0 iso 0 dist 5.21813 5.91797 3.92737 6.3915 7.36769 9.25444 numMergedOcc 0
4 mol 98 unq 1 iso 0 dist 5.21813 5.91797 3.92737 5.081 6.88901 8.46823 numMergedOcc 0
5 mol 98 unq 2 iso 0 dist 5.21813 6.37954 3.94967 6.3915 7.36769 9.84703 numMergedOcc 0
6 mol 98 unq 3 iso 0 dist 5.21813 6.37954 3.94967 5.081 6.88901 4.62494 numMergedOcc 0
7 mol 113 unq 0 iso 0 dist 8.49444 5.32773 7.1951 13.2576 6.6317 11.5006 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 5.08086 8.8639 5.75739 9.91819 6.84835 11.7956 numMergedOcc 0
9 mol 133 unq 1 iso 0 dist 5.08086 8.8639 5.75739 5.16948 8.42748 13.4396 numMergedOcc 0
10 mol 133 unq 2 iso 0 dist 5.08086 7.32009 5.46083 9.91819 6.84835 11.8288 numMergedOcc 0
11 mol 133 unq 3 iso 0 dist 5.08086 7.32009 5.46083 5.16948 8.42748 12.2289 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 6.08299 7.76446 11.5269 5.87436 6.40575 13.3808 numMergedOcc 0
13 mol 134 unq 1 iso 0 dist 6.08299 6.14652 6.93712 5.87436 6.40575 10.1824 numMergedOcc 0
14 mol 141 unq 0 iso 0 dist 6.10556 5.05627 3.98068 4.96213 6.83404 6.65731 numMergedOcc 0
15 mol 184 unq 0 iso 0 dist 6.71675 8.33147 3.7949 11.5379 7.54099 10.6375 numMergedOcc 0
16 mol 184 unq 1 iso 0 dist 6.71675 8.09403 4.67256 11.5379 7.54099 7.58375 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 8.76308 8.9388 14.8715 9.75326 6.21159 18.1735 numMergedOcc 0
18 mol 260 unq 0 iso 0 dist 4.76698 8.19223 12.3914 11.9795 9.32954 20.032 numMergedOcc 0
19 mol 266 unq 0 iso 0 dist 8.31182 7.30349 10.0756 7.30886 7.00243 13.281 numMergedOcc 0
20 mol 277 unq 0 iso 0 dist 6.71956 9.22453 6.64795 7.01915 8.20644 12.5241 numMergedOcc 0
