0 mol 28 unq 0 iso 0 dist 8.91922 4.30283 7.49391 7.431 9.74532 4.23443 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 8.79638 12.1817 8.47637 5.61871 8.53424 13.6544 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 8.79638 12.1817 8.47637 7.3517 7.08766 11.0902 numMergedOcc 0
3 mol 28 unq 3 iso 0 dist 8.79638 12.1817 8.47637 6.13016 4.82199 8.59089 numMergedOcc 0
4 mol 28 unq 4 iso 0 dist 7.82759 6.32776 8.96154 12.7911 8.53424 11.9912 numMergedOcc 0
5 mol 28 unq 5 iso 0 dist 6.42785 4.80296 8.47637 9.02992 8.53424 13.6544 numMergedOcc 0
6 mol 28 unq 6 iso 0 dist 6.42785 4.80296 8.47637 6.51048 7.08766 11.0902 numMergedOcc 0
7 mol 28 unq 7 iso 0 dist 6.42785 4.80296 8.47637 4.18951 4.82199 8.59089 numMergedOcc 0
8 mol 28 unq 8 iso 0 dist 5.75809 7.20041 8.47637 13.5265 8.53424 13.6544 numMergedOcc 0
9 mol 28 unq 9 iso 0 dist 5.75809 7.20041 8.47637 12.1819 7.08766 11.0902 numMergedOcc 0
10 mol 28 unq 10 iso 0 dist 5.75809 7.20041 8.47637 9.28235 4.82199 8.59089 numMergedOcc 0
11 mol 72 unq 0 iso 0 dist 5.19407 4.57495 6.48394 4.61081 6.79423 3.93249 numMergedOcc 0
12 mol 85 unq 0 iso 0 dist 6.2753 6.76125 7.67463 4.24482 4.18248 7.59896 numMergedOcc 0
13 mol 111 unq 0 iso 0 dist 8.69371 9.37246 6.34004 9.05868 4.91212 5.39108 numMergedOcc 0
14 mol 111 unq 1 iso 0 dist 8.69371 9.37246 6.34004 9.16288 9.34782 13.201 numMergedOcc 0
15 mol 116 unq 0 iso 0 dist 7.70636 8.27424 7.39112 4.13866 6.55227 4.89202 numMergedOcc 0
16 mol 116 unq 1 iso 0 dist 6.82267 13.183 7.39112 10.1108 6.55227 4.89202 numMergedOcc 0
17 mol 123 unq 0 iso 0 dist 8.0933 12.1655 8.24171 9.43573 5.56127 3.00129 numMergedOcc 0
18 mol 123 unq 1 iso 0 dist 8.0933 12.1655 8.24171 9.39224 8.03692 12.1183 numMergedOcc 0
19 mol 123 unq 2 iso 0 dist 8.0933 12.1655 8.24171 9.35902 5.36214 10.7803 numMergedOcc 0
20 mol 123 unq 3 iso 0 dist 8.0933 7.01429 5.38148 9.43573 5.56127 8.56894 numMergedOcc 0
21 mol 123 unq 4 iso 0 dist 8.0933 7.01429 5.38148 9.39224 8.03692 3.21474 numMergedOcc 0
22 mol 123 unq 5 iso 0 dist 8.0933 7.01429 5.38148 9.35902 5.36214 9.94939 numMergedOcc 0
23 mol 123 unq 6 iso 0 dist 8.0933 7.40378 6.63094 9.43573 5.56127 5.2546 numMergedOcc 0
24 mol 123 unq 7 iso 0 dist 8.0933 7.40378 6.63094 9.39224 8.03692 12.6794 numMergedOcc 0
25 mol 123 unq 8 iso 0 dist 8.0933 7.40378 6.63094 9.35902 5.36214 5.79985 numMergedOcc 0
26 mol 131 unq 0 iso 0 dist 7.382 8.74922 9.8911 7.67738 7.53342 4.86495 numMergedOcc 0
27 mol 131 unq 1 iso 0 dist 7.382 4.95238 7.02043 7.67738 7.53342 3.38209 numMergedOcc 0
28 mol 141 unq 0 iso 0 dist 4.93944 12.9884 8.56285 4.49266 4.88514 11.8161 numMergedOcc 0
29 mol 194 unq 0 iso 0 dist 7.31316 16.0694 8.93352 3.64489 4.68722 13.336 numMergedOcc 0
30 mol 194 unq 1 iso 0 dist 7.31316 16.0694 8.93352 9.00349 5.18325 11.2435 numMergedOcc 0
31 mol 194 unq 2 iso 0 dist 8.9865 6.34292 8.93352 13.481 4.68722 13.336 numMergedOcc 0
32 mol 194 unq 3 iso 0 dist 8.9865 6.34292 8.93352 11.1547 5.18325 11.2435 numMergedOcc 0
33 mol 233 unq 0 iso 0 dist 5.22629 5.67992 8.07857 6.44449 7.83831 7.15895 numMergedOcc 0
34 mol 283 unq 0 iso 0 dist 9.33601 8.33215 9.90494 11.6748 7.31132 12.6476 numMergedOcc 0
35 mol 283 unq 1 iso 0 dist 9.33601 12.8409 5.90121 11.6748 7.31132 3.31521 numMergedOcc 0
36 mol 287 unq 0 iso 0 dist 7.29668 10.577 9.97939 10.326 4.68668 7.67746 numMergedOcc 0
37 mol 288 unq 0 iso 0 dist 7.29668 10.577 9.97939 10.326 4.68668 7.67746 numMergedOcc 0
38 mol 289 unq 0 iso 0 dist 7.29668 10.577 9.97939 10.326 4.68668 7.67746 numMergedOcc 0
