0 mol 72 unq 0 iso 0 dist 8.71615 6.7212 5.46166 8.16985 11.9225 7.47371 numMergedOcc 0
1 mol 72 unq 1 iso 0 dist 8.71615 6.7212 5.46166 7.81344 13.3667 9.67587 numMergedOcc 0
2 mol 72 unq 2 iso 0 dist 8.71615 6.7212 5.46166 5.49421 8.89293 7.07356 numMergedOcc 0
3 mol 72 unq 3 iso 0 dist 8.71615 9.08821 5.58151 8.16985 11.9225 8.59184 numMergedOcc 0
4 mol 72 unq 4 iso 0 dist 8.71615 9.08821 5.58151 7.81344 13.3667 10.04 numMergedOcc 0
5 mol 72 unq 5 iso 0 dist 8.71615 9.08821 5.58151 5.49421 8.89293 5.84044 numMergedOcc 0
6 mol 78 unq 0 iso 0 dist 9.68277 8.53393 9.74045 6.90069 4.83459 6.00249 numMergedOcc 0
7 mol 78 unq 1 iso 0 dist 9.68277 5.57265 10.1493 6.90069 4.83459 7.9569 numMergedOcc 0
8 mol 93 unq 0 iso 0 dist 8.88685 8.91446 10.7957 9.89583 13.7417 4.93402 numMergedOcc 0
9 mol 102 unq 0 iso 0 dist 9.61113 7.42187 13.5433 8.24949 7.85919 7.04433 numMergedOcc 0
10 mol 102 unq 1 iso 0 dist 7.59973 7.42187 8.51668 8.24949 5.05224 7.04433 numMergedOcc 0
11 mol 117 unq 0 iso 0 dist 5.24519 8.81172 6.29427 8.54233 6.66127 6.57678 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 7.26463 8.88255 9.35307 6.88175 4.80926 6.9194 numMergedOcc 0
13 mol 119 unq 1 iso 0 dist 7.26463 8.88255 9.35307 9.98931 8.62789 13.3292 numMergedOcc 0
14 mol 119 unq 2 iso 0 dist 7.26463 8.88255 9.35307 8.47642 9.86004 10.1294 numMergedOcc 0
15 mol 125 unq 0 iso 0 dist 6.6081 7.76202 6.92879 9.93888 6.06801 4.45456 numMergedOcc 0
16 mol 134 unq 0 iso 0 dist 7.94564 6.54987 7.38651 6.41759 4.77133 5.91192 numMergedOcc 0
17 mol 134 unq 1 iso 0 dist 9.21999 6.54987 10.3334 6.41759 4.56331 5.91192 numMergedOcc 0
18 mol 142 unq 0 iso 0 dist 9.5355 7.15087 13.1936 5.90339 9.23267 4.67662 numMergedOcc 0
19 mol 219 unq 0 iso 0 dist 7.98941 6.8424 10.9246 8.72479 5.05436 8.8527 numMergedOcc 0
20 mol 224 unq 0 iso 0 dist 4.99301 9.74059 10.9595 6.57713 9.89658 5.47491 numMergedOcc 0
21 mol 224 unq 1 iso 0 dist 6.36813 9.74059 13.311 6.57713 11.9701 5.47491 numMergedOcc 0
22 mol 224 unq 2 iso 0 dist 8.68767 9.73411 14.3302 5.31916 7.57013 7.05804 numMergedOcc 0
23 mol 224 unq 3 iso 0 dist 8.68767 7.75485 9.74911 5.31916 7.57013 4.54188 numMergedOcc 0
24 mol 231 unq 0 iso 0 dist 6.73226 8.91036 11.548 9.37406 11.9013 10.7703 numMergedOcc 0
25 mol 231 unq 1 iso 0 dist 6.73226 8.91036 11.548 8.98908 4.82429 13.4098 numMergedOcc 0
26 mol 251 unq 0 iso 0 dist 8.84041 7.54763 6.07836 7.95984 6.02024 4.86046 numMergedOcc 0
27 mol 259 unq 0 iso 0 dist 7.4294 5.75874 6.9607 6.95658 12.6734 6.73882 numMergedOcc 0
28 mol 259 unq 1 iso 0 dist 8.37253 5.75874 6.68041 6.95658 5.77768 6.73882 numMergedOcc 0
29 mol 274 unq 0 iso 0 dist 8.26695 5.82876 12.0757 5.64169 7.5856 5.22914 numMergedOcc 0
30 mol 274 unq 1 iso 0 dist 8.26695 8.71129 16.0765 5.64169 7.5856 10.2884 numMergedOcc 0
31 mol 274 unq 2 iso 0 dist 5.59151 5.82876 7.96313 5.64169 5.04738 5.22914 numMergedOcc 0
32 mol 274 unq 3 iso 0 dist 5.59151 8.71129 13.1879 5.64169 5.04738 10.2884 numMergedOcc 0
33 mol 274 unq 4 iso 0 dist 8.17922 5.82876 7.97998 5.64169 12.0951 5.22914 numMergedOcc 0
34 mol 274 unq 5 iso 0 dist 8.17922 8.71129 5.7745 5.64169 12.0951 10.2884 numMergedOcc 0
35 mol 280 unq 0 iso 0 dist 9.047 8.80588 14.1091 6.16546 12.331 4.90315 numMergedOcc 0
36 mol 280 unq 1 iso 0 dist 9.9227 8.80588 4.95798 6.16546 7.42656 4.90315 numMergedOcc 0
