0 mol 54 unq 0 iso 0 dist 7.62814 10.3846 6.89022 6.57199 8.75957 8.89627 numMergedOcc 0
1 mol 111 unq 0 iso 0 dist 8.69371 9.37246 6.34004 12.0392 9.72371 3.67964 numMergedOcc 0
2 mol 123 unq 0 iso 0 dist 8.0933 12.1655 8.24171 11.011 7.30244 9.04448 numMergedOcc 0
3 mol 123 unq 1 iso 0 dist 8.0933 7.01429 5.38148 11.011 7.30244 5.25923 numMergedOcc 0
4 mol 123 unq 2 iso 0 dist 8.0933 7.40378 6.63094 11.011 7.30244 11.8191 numMergedOcc 0
5 mol 124 unq 0 iso 0 dist 9.66083 13.4697 9.0745 4.26006 8.65859 10.4403 numMergedOcc 0
6 mol 131 unq 0 iso 0 dist 7.382 8.74922 9.8911 10.6596 7.84546 5.06665 numMergedOcc 0
7 mol 131 unq 1 iso 0 dist 7.382 4.95238 7.02043 10.6596 7.84546 7.7998 numMergedOcc 0
8 mol 135 unq 0 iso 0 dist 6.63808 4.59947 7.74087 11.5311 7.02963 11.7342 numMergedOcc 0
9 mol 141 unq 0 iso 0 dist 4.93944 12.9884 8.56285 14.0112 9.59109 8.90481 numMergedOcc 0
10 mol 141 unq 1 iso 0 dist 7.74168 9.62279 8.23543 12.6641 6.75593 6.30849 numMergedOcc 0
11 mol 158 unq 0 iso 0 dist 4.68068 8.53592 9.56702 4.29509 7.20362 6.03833 numMergedOcc 0
12 mol 205 unq 0 iso 0 dist 8.27988 11.3214 8.42716 9.83112 5.59832 9.6084 numMergedOcc 0
13 mol 205 unq 1 iso 0 dist 8.27988 11.3214 8.42716 11.5821 9.17562 3.5693 numMergedOcc 0
14 mol 205 unq 2 iso 0 dist 8.27988 5.50211 5.69652 9.83112 5.59832 8.16279 numMergedOcc 0
15 mol 205 unq 3 iso 0 dist 8.27988 5.50211 5.69652 11.5821 9.17562 6.29383 numMergedOcc 0
16 mol 258 unq 0 iso 0 dist 6.92906 6.14222 5.3772 8.02986 8.31526 3.63667 numMergedOcc 0
17 mol 258 unq 1 iso 0 dist 6.92906 11.0602 8.70007 8.02986 8.31526 15.2842 numMergedOcc 0
18 mol 258 unq 2 iso 0 dist 5.57978 6.14222 7.59138 8.02986 7.08328 3.63667 numMergedOcc 0
19 mol 278 unq 0 iso 0 dist 8.22364 13.4292 9.68335 7.41736 7.1656 7.27472 numMergedOcc 0
20 mol 287 unq 0 iso 0 dist 7.29668 10.577 9.97939 7.65493 8.58427 12.4081 numMergedOcc 0
21 mol 288 unq 0 iso 0 dist 7.29668 10.577 9.97939 7.65493 8.58427 12.4081 numMergedOcc 0
22 mol 289 unq 0 iso 0 dist 7.29668 10.577 9.97939 7.65493 8.58427 12.4081 numMergedOcc 0
