0 mol 12 unq 0 iso 0 dist 4.85969 9.32718 6.28592 6.16894 4.62913 10.4152 numMergedOcc 0
1 mol 12 unq 1 iso 0 dist 4.85969 9.32718 6.28592 5.93993 7.44542 10.6743 numMergedOcc 0
2 mol 18 unq 0 iso 0 dist 6.45965 8.95573 5.867 10.4274 7.9504 8.93025 numMergedOcc 0
3 mol 33 unq 0 iso 0 dist 9.74394 8.52627 7.1347 11.0193 8.41842 14.2319 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 6.35249 6.21143 5.27577 4.98983 6.49174 9.55492 numMergedOcc 0
5 mol 94 unq 0 iso 0 dist 7.81363 5.80964 4.4432 10.5952 6.91081 5.20598 numMergedOcc 0
6 mol 95 unq 0 iso 0 dist 6.82522 6.47401 4.41983 6.35259 9.02302 10.5512 numMergedOcc 0
7 mol 100 unq 0 iso 0 dist 6.15185 9.9443 8.44086 11.3589 9.8067 9.35867 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 5.63173 9.59094 6.2062 11.8191 8.61448 6.61636 numMergedOcc 0
9 mol 141 unq 0 iso 0 dist 8.47476 9.55297 5.65619 13.6955 9.28415 12.1389 numMergedOcc 0
10 mol 141 unq 1 iso 0 dist 8.47476 7.447 14.1869 13.6955 9.28415 20.153 numMergedOcc 0
11 mol 141 unq 2 iso 0 dist 8.47476 6.59782 8.66026 13.6955 9.28415 15.2606 numMergedOcc 0
12 mol 204 unq 0 iso 0 dist 5.29176 8.87757 7.96412 8.26563 8.40718 9.01377 numMergedOcc 0
13 mol 205 unq 0 iso 0 dist 8.95136 6.37411 15.2718 6.2884 7.84215 11.1093 numMergedOcc 0
14 mol 220 unq 0 iso 0 dist 4.17978 5.13604 3.90017 6.21026 8.65468 10.8855 numMergedOcc 0
15 mol 226 unq 0 iso 0 dist 6.67272 9.51038 4.91346 6.50848 7.54614 7.45381 numMergedOcc 0
16 mol 233 unq 0 iso 0 dist 8.83541 5.34745 5.19341 5.35285 6.87565 5.64376 numMergedOcc 0
17 mol 233 unq 1 iso 0 dist 7.89581 8.98366 5.19341 6.13888 6.87565 5.64376 numMergedOcc 0
18 mol 234 unq 0 iso 0 dist 5.65943 7.54327 4.21173 6.31042 9.24066 11.004 numMergedOcc 0
19 mol 236 unq 0 iso 0 dist 6.54859 7.05868 4.52208 7.55924 9.26313 9.88216 numMergedOcc 0
20 mol 260 unq 0 iso 0 dist 7.90537 9.50619 5.51525 6.39739 8.55211 7.26115 numMergedOcc 0
21 mol 260 unq 1 iso 0 dist 7.90537 9.50619 5.51525 4.9453 8.44162 12.336 numMergedOcc 0
22 mol 287 unq 0 iso 0 dist 6.38338 8.70062 4.26276 5.87542 6.90956 8.40198 numMergedOcc 0
23 mol 287 unq 1 iso 0 dist 6.38338 9.919 9.92609 5.87542 6.90956 9.95761 numMergedOcc 0
24 mol 288 unq 0 iso 0 dist 6.38338 8.70062 4.26276 5.87542 6.90956 8.40198 numMergedOcc 0
25 mol 288 unq 1 iso 0 dist 6.38338 9.919 9.92609 5.87542 6.90956 9.95761 numMergedOcc 0
26 mol 289 unq 0 iso 0 dist 6.38338 8.70062 4.26276 5.87542 6.90956 8.40198 numMergedOcc 0
27 mol 289 unq 1 iso 0 dist 6.38338 9.919 9.92609 5.87542 6.90956 9.95761 numMergedOcc 0
