0 mol 10 unq 0 iso 0 dist 7.99404 8.44864 8.76488 6.50444 5.04413 3.92592 numMergedOcc 0
1 mol 30 unq 0 iso 0 dist 7.2159 8.51496 11.8568 8.98564 10.4174 5.58618 numMergedOcc 0
2 mol 30 unq 1 iso 0 dist 7.2159 8.51496 11.8568 7.51725 5.53262 7.28949 numMergedOcc 0
3 mol 30 unq 2 iso 0 dist 8.93093 8.51496 5.39161 8.98564 7.91033 5.58618 numMergedOcc 0
4 mol 30 unq 3 iso 0 dist 8.93093 8.51496 5.39161 7.51725 4.79123 7.28949 numMergedOcc 0
5 mol 46 unq 0 iso 0 dist 9.98353 9.27409 9.23733 8.55202 10.3583 4.07933 numMergedOcc 0
6 mol 78 unq 0 iso 0 dist 6.02034 9.4486 13.0908 7.32064 8.76068 8.39195 numMergedOcc 0
7 mol 78 unq 1 iso 0 dist 6.02034 9.4486 13.0908 5.24136 6.05023 7.90926 numMergedOcc 0
8 mol 78 unq 2 iso 0 dist 6.02034 9.4486 13.0908 6.44687 5.10057 11.1849 numMergedOcc 0
9 mol 78 unq 3 iso 0 dist 6.02034 9.4486 13.0908 5.85007 11.6562 7.71963 numMergedOcc 0
10 mol 83 unq 0 iso 0 dist 7.80113 5.91009 8.5555 7.84642 7.46457 6.11879 numMergedOcc 0
11 mol 92 unq 0 iso 0 dist 6.59382 5.59552 4.7483 9.68629 14.2039 11.7168 numMergedOcc 0
12 mol 109 unq 0 iso 0 dist 9.79844 8.48774 6.14126 6.67635 6.54844 7.60413 numMergedOcc 0
13 mol 112 unq 0 iso 0 dist 6.30128 6.09626 4.6963 4.77996 5.96497 5.08111 numMergedOcc 0
14 mol 119 unq 0 iso 0 dist 8.39253 8.4733 13.7956 5.90003 4.80926 10.3622 numMergedOcc 0
15 mol 119 unq 1 iso 0 dist 9.44788 9.34823 11.5937 9.10803 6.14609 14.1584 numMergedOcc 0
16 mol 128 unq 0 iso 0 dist 5.4772 8.87314 5.85033 9.67042 8.1634 5.53655 numMergedOcc 0
17 mol 128 unq 1 iso 0 dist 5.4772 8.87314 5.85033 7.95999 8.13018 10.4634 numMergedOcc 0
18 mol 134 unq 0 iso 0 dist 9.49104 5.49198 5.45341 9.13697 4.56331 6.06606 numMergedOcc 0
19 mol 134 unq 1 iso 0 dist 9.49104 8.7311 10.2702 9.13697 4.56331 12.1477 numMergedOcc 0
20 mol 141 unq 0 iso 0 dist 6.32669 7.6793 4.8653 5.56446 7.13673 9.84473 numMergedOcc 0
21 mol 195 unq 0 iso 0 dist 9.0153 8.13947 8.94335 9.48766 4.65091 5.66395 numMergedOcc 0
22 mol 274 unq 0 iso 0 dist 8.26851 9.11072 16.1916 4.97796 5.9397 13.3632 numMergedOcc 0
23 mol 274 unq 1 iso 0 dist 8.26851 6.83113 10.6481 4.97796 5.9397 5.39432 numMergedOcc 0
24 mol 274 unq 2 iso 0 dist 8.26851 9.44134 16.3797 4.97796 5.9397 10.7442 numMergedOcc 0
25 mol 274 unq 3 iso 0 dist 8.14634 9.11072 14.7933 4.97796 4.89003 13.3632 numMergedOcc 0
26 mol 274 unq 4 iso 0 dist 8.14634 6.83113 7.09841 4.97796 4.89003 5.39432 numMergedOcc 0
27 mol 274 unq 5 iso 0 dist 8.14634 9.44134 13.8495 4.97796 4.89003 10.7442 numMergedOcc 0
28 mol 278 unq 0 iso 0 dist 6.97456 6.81257 5.39083 9.54428 10.3886 5.08871 numMergedOcc 0
