0 mol 27 unq 0 iso 0 dist 9.76721 13.2287 8.57551 7.96851 9.52155 13.1291 numMergedOcc 0
1 mol 27 unq 1 iso 0 dist 9.76721 13.2287 8.57551 8.62174 9.16319 9.11983 numMergedOcc 0
2 mol 27 unq 2 iso 0 dist 9.76721 14.8458 9.32506 7.96851 9.52155 16.7181 numMergedOcc 0
3 mol 27 unq 3 iso 0 dist 9.76721 14.8458 9.32506 8.62174 9.16319 13.5691 numMergedOcc 0
4 mol 78 unq 0 iso 0 dist 9.739 5.00649 7.85668 14.5346 9.86479 9.69493 numMergedOcc 0
5 mol 81 unq 0 iso 0 dist 8.18695 10.4299 4.71246 5.82911 5.2168 4.95944 numMergedOcc 0
6 mol 81 unq 1 iso 0 dist 7.82027 5.39514 4.71246 7.93947 5.2168 4.95944 numMergedOcc 0
7 mol 91 unq 0 iso 0 dist 5.11803 5.68632 8.72121 7.62353 6.69121 12.1308 numMergedOcc 0
8 mol 152 unq 0 iso 0 dist 9.06801 4.62126 9.87656 12.8334 7.78215 15.3246 numMergedOcc 0
9 mol 152 unq 1 iso 0 dist 9.06801 8.90456 5.35463 12.8334 7.78215 9.74508 numMergedOcc 0
10 mol 154 unq 0 iso 0 dist 9.19804 13.7645 8.9675 6.10428 9.82522 15.0962 numMergedOcc 0
11 mol 154 unq 1 iso 0 dist 9.19804 13.7645 8.9675 3.93314 8.50773 14.8962 numMergedOcc 0
12 mol 158 unq 0 iso 0 dist 9.18848 11.2678 7.41387 3.72916 9.67263 13.4119 numMergedOcc 0
13 mol 162 unq 0 iso 0 dist 8.99034 12.2516 7.80955 10.0292 9.67872 7.86779 numMergedOcc 0
14 mol 162 unq 1 iso 0 dist 8.99034 5.55488 6.66396 10.0292 9.67872 12.3596 numMergedOcc 0
15 mol 205 unq 0 iso 0 dist 9.67328 7.34713 8.54088 9.74857 9.66947 11.2784 numMergedOcc 0
16 mol 205 unq 1 iso 0 dist 9.67328 7.34713 8.54088 5.83113 5.69652 3.50159 numMergedOcc 0
17 mol 206 unq 0 iso 0 dist 6.38964 5.59897 5.99766 10.3421 7.51798 6.18377 numMergedOcc 0
18 mol 220 unq 0 iso 0 dist 6.94771 6.60799 9.92712 6.66492 9.63062 6.90422 numMergedOcc 0
19 mol 230 unq 0 iso 0 dist 8.74988 6.28086 7.5725 6.2863 8.89873 4.45276 numMergedOcc 0
20 mol 266 unq 0 iso 0 dist 7.01175 8.61267 9.27812 12.5701 8.53393 7.52317 numMergedOcc 0
21 mol 266 unq 1 iso 0 dist 7.01175 8.61267 9.27812 12.5076 7.24165 9.52953 numMergedOcc 0
22 mol 266 unq 2 iso 0 dist 7.50074 14.1041 9.27812 15.7607 8.53393 7.52317 numMergedOcc 0
23 mol 266 unq 3 iso 0 dist 7.50074 14.1041 9.27812 14.5235 7.24165 9.52953 numMergedOcc 0
24 mol 282 unq 0 iso 0 dist 6.96758 4.22263 8.64115 3.81283 7.89625 5.17343 numMergedOcc 0
25 mol 283 unq 0 iso 0 dist 7.81415 9.48513 6.69313 15.5185 9.74797 15.4958 numMergedOcc 0
26 mol 283 unq 1 iso 0 dist 7.81415 9.48513 6.69313 6.35533 9.90494 14.4844 numMergedOcc 0
27 mol 292 unq 0 iso 0 dist 8.25719 6.36882 8.73473 12.3674 9.66129 7.6058 numMergedOcc 0
