0 mol 26 unq 0 iso 0 dist 7.54282 5.34406 8.97754 9.34599 5.29055 9.82851 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 7.54282 5.34406 8.97754 6.32127 4.76998 9.11311 numMergedOcc 0
2 mol 98 unq 0 iso 0 dist 9.29532 8.68751 7.14813 16.0501 9.90428 9.57429 numMergedOcc 0
3 mol 119 unq 0 iso 0 dist 7.79263 6.94754 4.55071 11.8873 10.3622 6.21165 numMergedOcc 0
4 mol 123 unq 0 iso 0 dist 8.18122 8.75597 4.14492 12.55 10.9073 7.30244 numMergedOcc 0
5 mol 123 unq 1 iso 0 dist 8.36221 7.36026 4.14492 13.1867 10.9073 7.30244 numMergedOcc 0
6 mol 123 unq 2 iso 0 dist 8.6441 6.45068 4.14492 11.063 10.9073 7.30244 numMergedOcc 0
7 mol 123 unq 3 iso 0 dist 6.70684 6.36283 4.14492 11.7765 10.9073 7.30244 numMergedOcc 0
8 mol 141 unq 0 iso 0 dist 7.20083 8.07317 7.56563 9.45931 11.0215 8.40695 numMergedOcc 0
9 mol 169 unq 0 iso 0 dist 8.79644 9.55863 7.65903 14.8826 7.40692 7.85698 numMergedOcc 0
10 mol 169 unq 1 iso 0 dist 8.79644 9.55863 7.65903 15.2472 9.68109 6.35799 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 9.43325 5.12831 9.4366 8.89293 3.87082 8.2241 numMergedOcc 0
12 mol 205 unq 0 iso 0 dist 7.63908 8.98996 7.88986 9.47112 5.19196 6.81516 numMergedOcc 0
13 mol 205 unq 1 iso 0 dist 7.63908 8.73701 7.4185 12.2985 6.9508 7.24614 numMergedOcc 0
14 mol 214 unq 0 iso 0 dist 8.9694 9.12568 8.7434 8.07237 3.91276 9.06389 numMergedOcc 0
15 mol 214 unq 1 iso 0 dist 8.83512 12.6104 8.7434 12.6164 3.91276 9.06389 numMergedOcc 0
16 mol 214 unq 2 iso 0 dist 8.02723 8.77167 8.7434 8.95218 3.91276 9.06389 numMergedOcc 0
17 mol 217 unq 0 iso 0 dist 5.01648 5.44069 6.19602 11.5098 9.98266 8.4493 numMergedOcc 0
18 mol 222 unq 0 iso 0 dist 7.17095 4.94807 6.39673 11.2537 4.67663 9.30639 numMergedOcc 0
19 mol 222 unq 1 iso 0 dist 7.17095 4.94807 6.39673 8.37652 4.00869 6.24462 numMergedOcc 0
20 mol 222 unq 2 iso 0 dist 7.17095 4.94807 6.39673 10.132 6.23984 6.02034 numMergedOcc 0
21 mol 285 unq 0 iso 0 dist 7.63933 8.56197 4.27826 9.32133 6.3633 8.79261 numMergedOcc 0
22 mol 285 unq 1 iso 0 dist 7.63933 12.7469 5.82074 9.32133 6.3633 9.99125 numMergedOcc 0
23 mol 287 unq 0 iso 0 dist 7.74312 6.1158 4.93516 9.52718 5.97664 9.25759 numMergedOcc 0
24 mol 288 unq 0 iso 0 dist 7.74312 6.1158 4.93516 9.52718 5.97664 9.25759 numMergedOcc 0
25 mol 289 unq 0 iso 0 dist 7.74312 6.1158 4.93516 9.52718 5.97664 9.25759 numMergedOcc 0
