0 mol 2 unq 0 iso 0 dist 7.68325 11.048 9.8324 6.35824 8.3726 14.0048 numMergedOcc 0
1 mol 76 unq 0 iso 0 dist 7.63813 4.96793 9.26231 14.0039 9.50939 14.6307 numMergedOcc 0
2 mol 79 unq 0 iso 0 dist 6.00684 8.68717 9.8089 6.02092 6.64921 9.57279 numMergedOcc 0
3 mol 81 unq 0 iso 0 dist 8.53662 13.4131 9.24998 3.3881 7.02755 10.5312 numMergedOcc 0
4 mol 81 unq 1 iso 0 dist 8.16146 7.717 9.24998 3.93741 7.02755 10.5312 numMergedOcc 0
5 mol 83 unq 0 iso 0 dist 9.90769 7.97948 7.9309 12.4567 5.13041 6.60457 numMergedOcc 0
6 mol 90 unq 0 iso 0 dist 9.69413 5.22926 7.94379 3.79142 7.01987 4.28396 numMergedOcc 0
7 mol 141 unq 0 iso 0 dist 5.88001 13.5995 8.5614 10.2696 5.28634 4.49266 numMergedOcc 0
8 mol 152 unq 0 iso 0 dist 9.07154 11.5349 9.54774 5.0146 8.52131 6.79695 numMergedOcc 0
9 mol 154 unq 0 iso 0 dist 6.17381 7.37385 4.62366 4.61166 8.30696 6.90958 numMergedOcc 0
10 mol 158 unq 0 iso 0 dist 6.33118 9.51094 8.95432 4.67886 7.76952 5.70473 numMergedOcc 0
11 mol 158 unq 1 iso 0 dist 6.33118 9.51094 8.95432 14.6154 9.98554 17.2865 numMergedOcc 0
12 mol 171 unq 0 iso 0 dist 9.23587 5.07414 4.59484 6.97922 8.82481 6.65338 numMergedOcc 0
13 mol 174 unq 0 iso 0 dist 8.36618 10.67 9.56869 6.4785 8.60718 5.01986 numMergedOcc 0
14 mol 183 unq 0 iso 0 dist 6.23903 5.24086 9.84649 9.09406 8.69656 14.1568 numMergedOcc 0
15 mol 183 unq 1 iso 0 dist 8.39603 13.0499 9.84649 9.29513 8.69656 14.1568 numMergedOcc 0
16 mol 192 unq 0 iso 0 dist 8.27545 5.31675 5.83093 12.6116 7.97601 9.42206 numMergedOcc 0
17 mol 212 unq 0 iso 0 dist 9.50443 8.78068 9.1732 18.1749 9.49715 14.7991 numMergedOcc 0
18 mol 226 unq 0 iso 0 dist 8.29033 12.4349 8.24741 7.9677 9.84378 10.4 numMergedOcc 0
19 mol 226 unq 1 iso 0 dist 8.29033 4.67515 5.07958 7.9677 9.84378 5.92594 numMergedOcc 0
20 mol 226 unq 2 iso 0 dist 8.29033 11.2053 6.19519 7.9677 9.84378 15.5677 numMergedOcc 0
21 mol 226 unq 3 iso 0 dist 5.44698 11.1522 8.24741 10.3952 9.84378 10.4 numMergedOcc 0
22 mol 226 unq 4 iso 0 dist 5.44698 4.8749 5.07958 10.3952 9.84378 5.92594 numMergedOcc 0
23 mol 226 unq 5 iso 0 dist 5.44698 6.81662 6.19519 10.3952 9.84378 15.5677 numMergedOcc 0
24 mol 239 unq 0 iso 0 dist 6.77267 11.0259 7.10828 9.24382 5.4687 10.0889 numMergedOcc 0
25 mol 239 unq 1 iso 0 dist 6.70738 9.59108 9.82057 3.65952 4.37138 7.14354 numMergedOcc 0
26 mol 239 unq 2 iso 0 dist 8.55314 13.5832 9.82057 7.05149 4.37138 7.14354 numMergedOcc 0
27 mol 248 unq 0 iso 0 dist 9.37614 5.88268 7.51278 15.6281 9.99025 10.0975 numMergedOcc 0
28 mol 287 unq 0 iso 0 dist 5.92999 5.63549 8.44356 8.27188 7.82157 10.2357 numMergedOcc 0
29 mol 287 unq 1 iso 0 dist 5.92999 5.63549 8.44356 5.34741 8.39976 5.27788 numMergedOcc 0
30 mol 287 unq 2 iso 0 dist 4.75392 6.76834 8.44356 11.4888 7.82157 10.2357 numMergedOcc 0
31 mol 287 unq 3 iso 0 dist 4.75392 6.76834 8.44356 5.39384 8.39976 5.27788 numMergedOcc 0
32 mol 288 unq 0 iso 0 dist 5.92999 5.63549 8.44356 8.27188 7.82157 10.2357 numMergedOcc 0
33 mol 288 unq 1 iso 0 dist 5.92999 5.63549 8.44356 5.34741 8.39976 5.27788 numMergedOcc 0
34 mol 288 unq 2 iso 0 dist 4.75392 6.76834 8.44356 11.4888 7.82157 10.2357 numMergedOcc 0
35 mol 288 unq 3 iso 0 dist 4.75392 6.76834 8.44356 5.39384 8.39976 5.27788 numMergedOcc 0
36 mol 289 unq 0 iso 0 dist 5.92999 5.63549 8.44356 8.27188 7.82157 10.2357 numMergedOcc 0
37 mol 289 unq 1 iso 0 dist 5.92999 5.63549 8.44356 5.34741 8.39976 5.27788 numMergedOcc 0
38 mol 289 unq 2 iso 0 dist 4.75392 6.76834 8.44356 11.4888 7.82157 10.2357 numMergedOcc 0
39 mol 289 unq 3 iso 0 dist 4.75392 6.76834 8.44356 5.39384 8.39976 5.27788 numMergedOcc 0
