0 mol 7 unq 0 iso 0 dist 9.8603 9.33944 6.22805 9.30196 7.15434 5.85668 numMergedOcc 0
1 mol 30 unq 0 iso 0 dist 8.609 10.8023 8.37503 4.64354 6.83481 6.78528 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 7.10899 11.042 6.85305 8.62215 5.2422 5.84422 numMergedOcc 0
3 mol 41 unq 0 iso 0 dist 5.41493 6.07784 4.68793 6.19414 8.52313 11.44 numMergedOcc 0
4 mol 51 unq 0 iso 0 dist 7.12423 10.8401 9.06397 12.224 9.23497 8.26107 numMergedOcc 0
5 mol 67 unq 0 iso 0 dist 8.65898 7.33586 6.99398 8.93316 8.70949 8.1892 numMergedOcc 0
6 mol 67 unq 1 iso 0 dist 8.65898 13.1954 8.64208 8.93316 8.70949 6.22963 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 8.2377 7.98579 4.24428 6.46551 6.10011 6.13631 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 6.18305 7.53682 6.30194 12.2435 8.124 6.13631 numMergedOcc 0
9 mol 91 unq 0 iso 0 dist 9.3931 5.4965 8.30169 6.27454 9.00902 9.53401 numMergedOcc 0
10 mol 91 unq 1 iso 0 dist 9.3931 8.87123 8.91983 6.27454 9.00902 13.4637 numMergedOcc 0
11 mol 134 unq 0 iso 0 dist 9.60411 10.6313 5.67862 13.5049 7.27598 6.50741 numMergedOcc 0
12 mol 159 unq 0 iso 0 dist 4.91784 10.242 8.55431 6.28654 9.21254 16.0092 numMergedOcc 0
13 mol 185 unq 0 iso 0 dist 9.878 14.5353 9.59096 8.59489 6.89879 8.43625 numMergedOcc 0
14 mol 185 unq 1 iso 0 dist 9.21149 9.5349 9.59096 4.29924 6.89879 8.43625 numMergedOcc 0
15 mol 212 unq 0 iso 0 dist 5.87223 10.1355 7.87125 12.1126 9.47932 4.78007 numMergedOcc 0
16 mol 212 unq 1 iso 0 dist 8.062 7.5418 7.87125 4.95466 9.47932 4.78007 numMergedOcc 0
17 mol 212 unq 2 iso 0 dist 8.70011 11.1789 7.87125 11.245 9.47932 4.78007 numMergedOcc 0
18 mol 222 unq 0 iso 0 dist 9.55777 12.6689 8.69148 14.056 5.47561 8.37449 numMergedOcc 0
19 mol 256 unq 0 iso 0 dist 7.67598 6.78978 8.43264 4.19031 5.98967 7.68659 numMergedOcc 0
20 mol 265 unq 0 iso 0 dist 9.772 9.91968 7.54805 10.5191 5.3051 5.46523 numMergedOcc 0
