0 mol 24 unq 0 iso 0 dist 8.13365 7.63824 9.76111 6.09311 7.49157 12.7806 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.13365 7.63824 9.76111 9.56533 7.73794 15.0952 numMergedOcc 0
2 mol 111 unq 0 iso 0 dist 7.42431 6.33923 6.34994 3.83194 9.06601 4.91212 numMergedOcc 0
3 mol 111 unq 1 iso 0 dist 7.42431 6.33923 6.34994 5.56913 5.98809 9.34782 numMergedOcc 0
4 mol 111 unq 2 iso 0 dist 7.42431 9.9801 8.26306 3.83194 9.06601 9.74162 numMergedOcc 0
5 mol 111 unq 3 iso 0 dist 7.42431 9.9801 8.26306 5.56913 5.98809 12.5922 numMergedOcc 0
6 mol 113 unq 0 iso 0 dist 9.57352 9.44 6.54263 7.68828 8.99912 4.49669 numMergedOcc 0
7 mol 113 unq 1 iso 0 dist 9.57352 8.47634 3.92558 7.68828 8.99912 5.88896 numMergedOcc 0
8 mol 116 unq 0 iso 0 dist 7.55822 6.98134 5.49724 4.26914 8.51123 6.55227 numMergedOcc 0
9 mol 120 unq 0 iso 0 dist 8.20009 5.56598 5.61274 8.24077 6.42623 7.84207 numMergedOcc 0
10 mol 120 unq 1 iso 0 dist 8.20009 5.56598 5.61274 3.79384 8.95899 8.56947 numMergedOcc 0
11 mol 120 unq 2 iso 0 dist 8.14799 5.39792 5.61274 5.56137 6.42623 7.84207 numMergedOcc 0
12 mol 120 unq 3 iso 0 dist 8.14799 5.39792 5.61274 6.80121 8.95899 8.56947 numMergedOcc 0
13 mol 120 unq 4 iso 0 dist 8.14799 8.44206 3.35803 5.56137 6.42623 6.98791 numMergedOcc 0
14 mol 120 unq 5 iso 0 dist 8.14799 8.44206 3.35803 6.80121 8.95899 11.3644 numMergedOcc 0
15 mol 123 unq 0 iso 0 dist 9.99727 8.09682 12.2105 3.61945 8.111 5.56127 numMergedOcc 0
16 mol 123 unq 1 iso 0 dist 9.99727 8.35926 12.5368 3.61945 8.111 8.03692 numMergedOcc 0
17 mol 123 unq 2 iso 0 dist 9.99727 7.41568 6.21159 3.61945 8.111 5.36214 numMergedOcc 0
18 mol 147 unq 0 iso 0 dist 7.4653 5.39386 7.06219 3.75216 8.39897 3.82583 numMergedOcc 0
19 mol 147 unq 1 iso 0 dist 7.4653 5.79819 4.19634 3.75216 8.39897 5.19116 numMergedOcc 0
20 mol 147 unq 2 iso 0 dist 7.4653 6.03024 4.45407 3.75216 8.39897 8.45156 numMergedOcc 0
21 mol 147 unq 3 iso 0 dist 7.95564 5.39386 6.04074 3.75216 9.03078 3.82583 numMergedOcc 0
22 mol 147 unq 4 iso 0 dist 7.95564 5.79819 6.24579 3.75216 9.03078 5.19116 numMergedOcc 0
23 mol 147 unq 5 iso 0 dist 7.95564 6.03024 5.06602 3.75216 9.03078 8.45156 numMergedOcc 0
24 mol 205 unq 0 iso 0 dist 6.04106 6.2669 4.30308 3.95968 7.13783 9.29842 numMergedOcc 0
25 mol 213 unq 0 iso 0 dist 7.22234 5.90026 4.71943 12.1593 8.82761 8.24178 numMergedOcc 0
26 mol 213 unq 1 iso 0 dist 5.86501 8.86496 4.71943 12.8419 8.82761 8.24178 numMergedOcc 0
27 mol 213 unq 2 iso 0 dist 8.48081 5.90026 3.62097 5.16198 9.09354 7.93317 numMergedOcc 0
28 mol 213 unq 3 iso 0 dist 8.48081 5.90026 3.62097 12.1593 4.66576 8.24178 numMergedOcc 0
29 mol 238 unq 0 iso 0 dist 6.51823 9.31268 5.7648 5.61713 6.46771 10.6732 numMergedOcc 0
30 mol 257 unq 0 iso 0 dist 8.95261 9.79593 10.9989 7.65595 9.6834 16.2037 numMergedOcc 0
31 mol 281 unq 0 iso 0 dist 7.04661 7.43535 12.8596 3.86368 5.50053 7.90368 numMergedOcc 0
32 mol 281 unq 1 iso 0 dist 7.04661 7.43535 12.8596 7.4282 7.33334 9.46544 numMergedOcc 0
