0 mol 10 unq 0 iso 0 dist 6.74091 7.75994 9.96463 10.4684 15.2778 9.99109 numMergedOcc 0
1 mol 44 unq 0 iso 0 dist 9.16551 8.1394 7.85573 15.2392 11.0282 8.23606 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 9.00513 8.50057 9.67403 13.4072 8.24748 8.30431 numMergedOcc 0
3 mol 61 unq 1 iso 0 dist 8.64665 4.57882 9.67403 11.0017 8.24748 8.30431 numMergedOcc 0
4 mol 61 unq 2 iso 0 dist 9.42869 4.57882 7.28917 11.0017 14.4616 8.30431 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 9.04935 13.9849 8.71103 13.2324 6.05149 7.41952 numMergedOcc 0
6 mol 86 unq 0 iso 0 dist 9.97991 9.2036 8.43093 11.9848 8.44581 8.39046 numMergedOcc 0
7 mol 86 unq 1 iso 0 dist 9.97991 9.2036 8.43093 13.0909 5.52734 8.76689 numMergedOcc 0
8 mol 99 unq 0 iso 0 dist 7.28774 7.05715 5.33644 12.4775 6.02095 6.81741 numMergedOcc 0
9 mol 103 unq 0 iso 0 dist 6.79564 11.405 6.67575 10.6107 4.36597 7.57822 numMergedOcc 0
10 mol 108 unq 0 iso 0 dist 8.69068 6.97518 5.52402 10.7391 4.2179 9.32474 numMergedOcc 0
11 mol 108 unq 1 iso 0 dist 8.69068 4.62224 7.57593 10.7391 4.2179 8.80334 numMergedOcc 0
12 mol 108 unq 2 iso 0 dist 8.89997 5.53449 6.79804 14.4591 10.5919 9.32474 numMergedOcc 0
13 mol 120 unq 0 iso 0 dist 9.31927 4.23705 9.12964 10.1077 5.65554 9.18835 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 9.86691 5.48547 6.85651 13.4646 8.75242 9.07294 numMergedOcc 0
15 mol 133 unq 1 iso 0 dist 9.86691 5.48547 6.85651 8.72732 14.0828 7.50126 numMergedOcc 0
16 mol 147 unq 0 iso 0 dist 6.28769 3.87868 8.52428 10.2396 7.75436 9.13646 numMergedOcc 0
17 mol 183 unq 0 iso 0 dist 8.53483 18.0876 9.92635 20.1088 13.34 6.21267 numMergedOcc 0
18 mol 183 unq 1 iso 0 dist 8.53483 18.0876 9.92635 21.4879 13.9426 7.41743 numMergedOcc 0
19 mol 183 unq 2 iso 0 dist 8.58404 13.2035 9.92635 15.2648 13.34 6.21267 numMergedOcc 0
20 mol 183 unq 3 iso 0 dist 8.58404 13.2035 9.92635 19.3126 13.9426 7.41743 numMergedOcc 0
21 mol 183 unq 4 iso 0 dist 8.1126 13.2035 7.85507 15.2648 9.98606 6.21267 numMergedOcc 0
22 mol 183 unq 5 iso 0 dist 8.1126 13.2035 7.85507 19.3126 11.9935 7.41743 numMergedOcc 0
23 mol 217 unq 0 iso 0 dist 9.51059 4.89824 8.79299 8.29482 4.10975 6.01666 numMergedOcc 0
24 mol 258 unq 0 iso 0 dist 8.62592 12.3393 9.4886 17.3352 12.1075 8.57305 numMergedOcc 0
25 mol 259 unq 0 iso 0 dist 8.93002 4.98212 5.98006 13.585 7.78289 8.73077 numMergedOcc 0
26 mol 259 unq 1 iso 0 dist 8.93002 4.98212 5.98006 10.549 5.73217 6.76656 numMergedOcc 0
27 mol 279 unq 0 iso 0 dist 8.53542 7.27711 9.71653 8.93979 6.05412 8.57035 numMergedOcc 0
28 mol 279 unq 1 iso 0 dist 7.98579 7.68028 4.75866 15.3183 12.8228 9.98985 numMergedOcc 0
29 mol 283 unq 0 iso 0 dist 8.28068 5.08363 8.80418 9.16563 6.27944 7.88405 numMergedOcc 0
