0 mol 24 unq 0 iso 0 dist 9.90845 14.9821 8.60554 22.8598 14.6259 8.4051 21.3292 13.2846 7.85986 6.7846 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 9.90845 14.9821 8.60554 22.8598 14.6259 8.4051 18.2532 12.3897 4.30252 8.03955 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 9.90845 14.9821 8.60554 10.6042 10.0952 7.29868 21.3292 13.2846 7.85986 13.7992 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 9.90845 14.9821 8.60554 10.6042 10.0952 7.29868 18.2532 12.3897 4.30252 8.92779 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 7.86724 5.97684 5.9465 10.6665 5.04493 6.97962 9.25447 12.2908 6.89071 13.6054 numMergedOcc 0
5 mol 92 unq 1 iso 0 dist 7.86724 5.97684 5.9465 12.4378 9.35561 9.95342 9.25447 12.2908 6.89071 11.2746 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 9.59261 5.24592 5.78706 11.7102 7.51619 7.23884 11.7061 9.53244 7.54574 9.91282 numMergedOcc 0
7 mol 98 unq 1 iso 0 dist 9.59261 5.24592 5.78706 6.67936 10.6225 5.59328 11.7061 9.53244 7.54574 6.54016 numMergedOcc 0
8 mol 98 unq 2 iso 0 dist 9.59261 5.24592 5.78706 8.25817 12.7411 7.5242 11.7061 9.53244 7.54574 11.2206 numMergedOcc 0
9 mol 98 unq 3 iso 0 dist 6.67936 5.24592 5.59328 9.59261 10.6225 5.78706 11.7061 6.54016 7.54574 9.53244 numMergedOcc 0
10 mol 98 unq 4 iso 0 dist 6.67936 5.24592 5.59328 11.7102 11.4338 7.23884 11.7061 6.54016 7.54574 9.91282 numMergedOcc 0
11 mol 98 unq 5 iso 0 dist 6.67936 5.24592 5.59328 8.25817 7.72877 7.5242 11.7061 6.54016 7.54574 11.2206 numMergedOcc 0
12 mol 98 unq 6 iso 0 dist 8.25817 5.24592 7.5242 9.59261 12.7411 5.78706 11.7061 11.2206 7.54574 9.53244 numMergedOcc 0
13 mol 98 unq 7 iso 0 dist 8.25817 5.24592 7.5242 11.7102 9.30161 7.23884 11.7061 11.2206 7.54574 9.91282 numMergedOcc 0
14 mol 98 unq 8 iso 0 dist 8.25817 5.24592 7.5242 6.67936 7.72877 5.59328 11.7061 11.2206 7.54574 6.54016 numMergedOcc 0
15 mol 135 unq 0 iso 0 dist 6.5228 5.14857 5.62052 10.9745 6.57193 7.85645 8.62814 3.78012 8.72359 9.62654 numMergedOcc 0
16 mol 135 unq 1 iso 0 dist 6.5228 5.14857 5.62052 10.9745 6.57193 7.85645 11.7117 10.9403 7.02963 8.06169 numMergedOcc 0
17 mol 196 unq 0 iso 0 dist 6.76923 9.91514 6.86319 15.6936 10.2747 6.70531 15.8818 12.4987 6.14222 5.93821 numMergedOcc 0
18 mol 213 unq 0 iso 0 dist 4.58599 11.5146 8.14332 9.94786 5.45334 7.73322 11.1783 7.49785 8.59946 4.67313 numMergedOcc 0
19 mol 213 unq 1 iso 0 dist 8.78568 10.693 8.14332 13.5801 5.45334 7.73322 14.326 7.49785 8.59946 4.67313 numMergedOcc 0
20 mol 235 unq 0 iso 0 dist 9.71281 6.18998 6.36341 10.7398 8.31875 6.21292 11.7597 4.67058 7.26232 10.28 numMergedOcc 0
21 mol 235 unq 1 iso 0 dist 9.71281 6.18998 6.36341 11.491 10.5547 9.21736 11.7597 4.67058 7.26232 13.783 numMergedOcc 0
22 mol 249 unq 0 iso 0 dist 7.29898 10.4369 5.48118 11.0836 5.3927 7.25858 9.38713 10.3504 8.76518 10.9925 numMergedOcc 0
23 mol 249 unq 1 iso 0 dist 8.91685 13.4788 5.48118 13.0753 5.3927 7.25858 14.5497 10.3504 8.76518 10.9925 numMergedOcc 0
24 mol 258 unq 0 iso 0 dist 6.09782 8.01004 9.63959 15.1009 12.4198 9.96262 9.30975 4.83605 9.36974 8.21389 numMergedOcc 0
25 mol 258 unq 1 iso 0 dist 6.09782 8.01004 9.63959 12.9664 12.321 7.21311 9.30975 4.83605 9.36974 11.9728 numMergedOcc 0
26 mol 273 unq 0 iso 0 dist 8.90885 5.06747 8.83865 9.96963 5.96724 9.18157 12.6851 9.32873 9.81919 5.04315 numMergedOcc 0
27 mol 273 unq 1 iso 0 dist 7.89852 5.62662 9.18157 10.8195 5.96724 8.83865 8.5948 5.04315 9.81919 9.32873 numMergedOcc 0
28 mol 273 unq 2 iso 0 dist 9.96963 5.06747 9.18157 8.90885 5.96724 8.83865 12.6851 5.04315 9.81919 9.32873 numMergedOcc 0
29 mol 278 unq 0 iso 0 dist 9.82774 11.9007 8.00673 15.9748 8.29447 6.62841 15.8963 13.7796 8.1769 9.26354 numMergedOcc 0
30 mol 278 unq 1 iso 0 dist 9.82774 11.9007 8.00673 15.9748 8.29447 6.62841 14.8588 10.2359 7.1656 5.33325 numMergedOcc 0
