0 mol 62 unq 0 iso 0 dist 9.27092 6.58981 6.8858 3.66673 9.81276 4.46067 numMergedOcc 0
1 mol 62 unq 1 iso 0 dist 6.56664 9.1926 9.17877 8.07308 10.7886 4.46067 numMergedOcc 0
2 mol 62 unq 2 iso 0 dist 9.58156 9.1926 13.7909 8.07308 15.3189 4.46067 numMergedOcc 0
3 mol 63 unq 0 iso 0 dist 6.65465 8.69452 12.5975 7.57912 12.9747 7.23828 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 9.32453 8.63792 3.69293 8.58059 10.985 7.66068 numMergedOcc 0
5 mol 76 unq 1 iso 0 dist 9.32453 8.63792 3.69293 14.7497 12.8435 9.5043 numMergedOcc 0
6 mol 76 unq 2 iso 0 dist 9.32453 8.63792 3.69293 14.3572 10.6942 8.34132 numMergedOcc 0
7 mol 93 unq 0 iso 0 dist 9.10877 8.61597 13.6379 6.46195 14.6786 9.66837 numMergedOcc 0
8 mol 111 unq 0 iso 0 dist 7.42431 6.33923 6.34994 3.83194 9.06601 4.91212 numMergedOcc 0
9 mol 111 unq 1 iso 0 dist 7.42431 6.33923 6.34994 5.56913 5.98809 9.34782 numMergedOcc 0
10 mol 111 unq 2 iso 0 dist 7.42431 9.9801 8.26306 3.83194 9.06601 9.74162 numMergedOcc 0
11 mol 113 unq 0 iso 0 dist 9.57352 9.44 6.54263 12.8761 9.6716 5.31126 numMergedOcc 0
12 mol 113 unq 1 iso 0 dist 9.57352 9.44 6.54263 7.68828 8.99912 4.49669 numMergedOcc 0
13 mol 113 unq 2 iso 0 dist 9.57352 9.44 6.54263 8.44413 11.4818 6.00221 numMergedOcc 0
14 mol 113 unq 3 iso 0 dist 9.57352 8.47634 3.92558 12.8761 9.6716 7.16619 numMergedOcc 0
15 mol 113 unq 4 iso 0 dist 9.57352 8.47634 3.92558 7.68828 8.99912 5.88896 numMergedOcc 0
16 mol 116 unq 0 iso 0 dist 7.55822 6.98134 5.49724 4.26914 8.51123 6.55227 numMergedOcc 0
17 mol 120 unq 0 iso 0 dist 8.20009 5.56598 5.61274 8.24077 6.42623 7.84207 numMergedOcc 0
18 mol 120 unq 1 iso 0 dist 8.20009 5.56598 5.61274 3.79384 8.95899 8.56947 numMergedOcc 0
19 mol 120 unq 2 iso 0 dist 8.14799 5.39792 5.61274 5.56137 6.42623 7.84207 numMergedOcc 0
20 mol 120 unq 3 iso 0 dist 8.14799 5.39792 5.61274 6.80121 8.95899 8.56947 numMergedOcc 0
21 mol 120 unq 4 iso 0 dist 8.14799 8.44206 3.35803 10.0743 10.2878 9.31385 numMergedOcc 0
22 mol 120 unq 5 iso 0 dist 8.14799 8.44206 3.35803 5.56137 6.42623 6.98791 numMergedOcc 0
23 mol 123 unq 0 iso 0 dist 9.99727 8.09682 12.2105 3.61945 8.111 5.56127 numMergedOcc 0
24 mol 123 unq 1 iso 0 dist 9.99727 8.35926 12.5368 5.85997 12.3048 8.78115 numMergedOcc 0
25 mol 123 unq 2 iso 0 dist 9.99727 8.35926 12.5368 3.61945 8.111 8.03692 numMergedOcc 0
26 mol 123 unq 3 iso 0 dist 9.99727 7.41568 6.21159 3.61945 8.111 5.36214 numMergedOcc 0
27 mol 141 unq 0 iso 0 dist 8.67129 7.53591 6.68984 4.40012 10.0825 5.60448 numMergedOcc 0
28 mol 147 unq 0 iso 0 dist 7.4653 5.39386 7.06219 3.75216 8.39897 3.82583 numMergedOcc 0
29 mol 147 unq 1 iso 0 dist 7.4653 5.39386 7.06219 6.64419 10.8483 8.25768 numMergedOcc 0
30 mol 147 unq 2 iso 0 dist 7.4653 5.79819 4.19634 3.75216 8.39897 5.19116 numMergedOcc 0
31 mol 147 unq 3 iso 0 dist 7.4653 5.79819 4.19634 6.64419 10.8483 8.71702 numMergedOcc 0
32 mol 147 unq 4 iso 0 dist 7.95564 5.39386 6.04074 3.75216 9.03078 3.82583 numMergedOcc 0
33 mol 147 unq 5 iso 0 dist 7.95564 5.39386 6.04074 6.64419 13.4973 8.25768 numMergedOcc 0
34 mol 147 unq 6 iso 0 dist 7.95564 5.79819 6.24579 3.75216 9.03078 5.19116 numMergedOcc 0
35 mol 147 unq 7 iso 0 dist 7.95564 5.79819 6.24579 6.64419 13.4973 8.71702 numMergedOcc 0
36 mol 213 unq 0 iso 0 dist 7.22234 5.90026 4.71943 5.16198 10.5407 7.93317 numMergedOcc 0
37 mol 213 unq 1 iso 0 dist 5.86501 8.86496 4.71943 10.4575 10.5407 7.93317 numMergedOcc 0
38 mol 213 unq 2 iso 0 dist 8.48081 5.90026 3.62097 5.16198 9.09354 7.93317 numMergedOcc 0
39 mol 213 unq 3 iso 0 dist 9.1663 8.46486 8.5907 4.00981 11.8574 9.56126 numMergedOcc 0
40 mol 281 unq 0 iso 0 dist 7.04661 7.43535 12.8596 3.86368 5.50053 7.90368 numMergedOcc 0
