0 mol 20 unq 0 iso 0 dist 9.98157 12.9008 8.26091 10.1133 6.22202 9.0017 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 5.11382 11.1055 8.25818 6.03041 7.19357 7.18124 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 5.11382 11.1055 8.25818 17.3312 13.7061 8.10168 numMergedOcc 0
3 mol 28 unq 0 iso 0 dist 8.06843 5.44908 9.74532 7.64064 4.23443 7.49391 numMergedOcc 0
4 mol 28 unq 1 iso 0 dist 9.56722 10.8301 8.53424 18.5879 11.9912 8.96154 numMergedOcc 0
5 mol 28 unq 2 iso 0 dist 9.56722 10.0008 7.08766 18.5879 11.9912 8.90935 numMergedOcc 0
6 mol 63 unq 0 iso 0 dist 8.06894 11.2724 8.14512 13.6457 5.59559 9.58748 numMergedOcc 0
7 mol 63 unq 1 iso 0 dist 5.89846 6.63195 8.14512 10.728 5.59559 9.58748 numMergedOcc 0
8 mol 63 unq 2 iso 0 dist 9.56838 11.1855 9.13228 10.9586 9.7326 9.58748 numMergedOcc 0
9 mol 93 unq 0 iso 0 dist 8.23294 3.27874 5.20429 9.98126 3.80877 6.9447 numMergedOcc 0
10 mol 93 unq 1 iso 0 dist 8.2702 3.27874 8.71366 9.98126 12.771 6.9447 numMergedOcc 0
11 mol 111 unq 0 iso 0 dist 6.33923 5.56913 9.34782 10.8985 12.2767 7.24101 numMergedOcc 0
12 mol 111 unq 1 iso 0 dist 8.51084 7.42165 4.91212 12.9393 5.39108 6.34004 numMergedOcc 0
13 mol 111 unq 2 iso 0 dist 5.53271 7.42165 9.34782 12.9393 13.201 6.34004 numMergedOcc 0
14 mol 113 unq 0 iso 0 dist 9.44 12.8761 5.31126 10.0434 4.62493 8.46167 numMergedOcc 0
15 mol 113 unq 1 iso 0 dist 9.44 7.68828 4.49669 10.0434 4.62493 6.13175 numMergedOcc 0
16 mol 113 unq 2 iso 0 dist 9.44 8.44413 6.00221 10.0434 4.62493 4.34107 numMergedOcc 0
17 mol 113 unq 3 iso 0 dist 8.47634 12.8761 7.16619 10.0434 6.47997 8.46167 numMergedOcc 0
18 mol 113 unq 4 iso 0 dist 8.47634 7.68828 5.88896 10.0434 6.47997 6.13175 numMergedOcc 0
19 mol 120 unq 0 iso 0 dist 5.56598 8.24077 7.84207 6.05523 3.47821 9.43682 numMergedOcc 0
20 mol 120 unq 1 iso 0 dist 5.56598 3.79384 8.56947 6.05523 3.47821 8.0564 numMergedOcc 0
21 mol 120 unq 2 iso 0 dist 5.39792 5.56137 7.84207 7.81657 3.47821 9.43682 numMergedOcc 0
22 mol 120 unq 3 iso 0 dist 5.39792 6.80121 8.56947 7.81657 3.47821 8.0564 numMergedOcc 0
23 mol 120 unq 4 iso 0 dist 8.44206 5.56137 6.98791 7.81657 6.10769 9.43682 numMergedOcc 0
24 mol 120 unq 5 iso 0 dist 7.00542 7.75617 7.84207 10.2667 3.47821 9.43682 numMergedOcc 0
25 mol 120 unq 6 iso 0 dist 7.00542 10.6431 8.56947 10.2667 3.47821 8.0564 numMergedOcc 0
26 mol 120 unq 7 iso 0 dist 9.78884 7.75617 6.98791 10.2667 6.10769 9.43682 numMergedOcc 0
27 mol 123 unq 0 iso 0 dist 9.72421 3.50983 8.78115 9.93886 3.21474 8.20345 numMergedOcc 0
28 mol 123 unq 1 iso 0 dist 9.72421 11.8396 8.03692 18.4067 12.1183 8.24171 numMergedOcc 0
29 mol 123 unq 2 iso 0 dist 9.72421 11.8396 8.03692 9.93886 3.21474 5.38148 numMergedOcc 0
30 mol 123 unq 3 iso 0 dist 9.72421 11.8396 8.03692 18.3151 12.6794 6.63094 numMergedOcc 0
31 mol 123 unq 4 iso 0 dist 8.09682 3.61945 5.56127 10.1197 3.00129 8.24171 numMergedOcc 0
32 mol 123 unq 5 iso 0 dist 8.09682 3.61945 5.56127 6.49558 8.56894 5.38148 numMergedOcc 0
33 mol 123 unq 6 iso 0 dist 8.09682 3.61945 5.56127 10.0457 5.2546 6.63094 numMergedOcc 0
34 mol 123 unq 7 iso 0 dist 8.35926 5.85997 8.78115 6.49558 3.21474 8.20345 numMergedOcc 0
35 mol 123 unq 8 iso 0 dist 8.35926 3.61945 8.03692 10.1197 12.1183 8.24171 numMergedOcc 0
36 mol 123 unq 9 iso 0 dist 8.35926 3.61945 8.03692 6.49558 3.21474 5.38148 numMergedOcc 0
37 mol 123 unq 10 iso 0 dist 8.35926 3.61945 8.03692 10.0457 12.6794 6.63094 numMergedOcc 0
38 mol 123 unq 11 iso 0 dist 7.41568 3.61945 5.36214 10.1197 10.7803 8.24171 numMergedOcc 0
39 mol 123 unq 12 iso 0 dist 7.41568 3.61945 5.36214 6.49558 9.94939 5.38148 numMergedOcc 0
40 mol 123 unq 13 iso 0 dist 7.41568 3.61945 5.36214 10.0457 5.79985 6.63094 numMergedOcc 0
41 mol 141 unq 0 iso 0 dist 7.53591 4.40012 5.60448 11.752 8.99049 7.70581 numMergedOcc 0
42 mol 141 unq 1 iso 0 dist 8.34503 3.48408 5.60448 9.0374 8.99049 7.70581 numMergedOcc 0
43 mol 233 unq 0 iso 0 dist 6.45095 6.41178 7.83831 11.6224 7.15895 8.07857 numMergedOcc 0
44 mol 266 unq 0 iso 0 dist 5.28746 11.313 8.25286 10.7986 10.0357 8.53393 numMergedOcc 0
45 mol 266 unq 1 iso 0 dist 5.28746 13.005 9.9965 10.7986 10.0357 7.24165 numMergedOcc 0
46 mol 287 unq 0 iso 0 dist 8.4625 11.4589 4.68668 14.7865 7.67746 9.97939 numMergedOcc 0
47 mol 288 unq 0 iso 0 dist 8.4625 11.4589 4.68668 14.7865 7.67746 9.97939 numMergedOcc 0
48 mol 289 unq 0 iso 0 dist 8.4625 11.4589 4.68668 14.7865 7.67746 9.97939 numMergedOcc 0
