0 mol 9 unq 0 iso 0 dist 9.79863 3.96333 9.47528 8.46229 7.50668 8.30653 numMergedOcc 0
1 mol 46 unq 0 iso 0 dist 5.76869 5.91159 6.03151 9.30803 7.18614 9.9787 numMergedOcc 0
2 mol 56 unq 0 iso 0 dist 7.36255 7.3395 5.62688 11.4701 5.02731 9.2898 numMergedOcc 0
3 mol 72 unq 0 iso 0 dist 9.47447 6.53202 7.49245 10.4537 5.43672 5.03251 numMergedOcc 0
4 mol 72 unq 1 iso 0 dist 9.47447 6.53202 7.49245 14.6695 7.58401 9.56773 numMergedOcc 0
5 mol 112 unq 0 iso 0 dist 9.28645 3.78964 7.77418 7.53905 6.95852 5.56994 numMergedOcc 0
6 mol 117 unq 0 iso 0 dist 8.85708 10.2932 8.54233 11.3462 5.34484 6.10127 numMergedOcc 0
7 mol 129 unq 0 iso 0 dist 9.66828 4.45029 8.46972 9.46892 10.1294 5.51197 numMergedOcc 0
8 mol 155 unq 0 iso 0 dist 6.80942 5.68679 8.14405 11.1867 7.92939 8.97626 numMergedOcc 0
9 mol 186 unq 0 iso 0 dist 8.52322 3.6848 7.12029 8.96988 6.94867 8.90571 numMergedOcc 0
10 mol 186 unq 1 iso 0 dist 8.52322 3.6848 7.12029 9.44405 5.77884 6.61112 numMergedOcc 0
11 mol 207 unq 0 iso 0 dist 7.98453 9.63192 8.01415 9.18896 5.62653 5.12567 numMergedOcc 0
12 mol 207 unq 1 iso 0 dist 7.98453 5.10056 8.25861 10.3876 4.4545 9.98372 numMergedOcc 0
13 mol 207 unq 2 iso 0 dist 7.98453 5.10056 8.25861 9.18896 5.62653 6.0563 numMergedOcc 0
14 mol 207 unq 3 iso 0 dist 7.98453 3.94578 8.5067 10.3876 4.4545 9.1528 numMergedOcc 0
15 mol 207 unq 4 iso 0 dist 7.98453 3.94578 8.5067 9.18896 5.62653 8.1244 numMergedOcc 0
16 mol 214 unq 0 iso 0 dist 7.71569 5.47184 6.91906 5.36829 5.68711 7.46481 numMergedOcc 0
17 mol 235 unq 0 iso 0 dist 8.52954 4.46929 6.50932 10.3464 14.2513 8.19317 numMergedOcc 0
18 mol 235 unq 1 iso 0 dist 8.52954 4.46929 6.50932 9.4144 8.38435 5.1823 numMergedOcc 0
19 mol 259 unq 0 iso 0 dist 5.16838 9.54522 6.95658 5.90645 5.20592 9.07743 numMergedOcc 0
20 mol 259 unq 1 iso 0 dist 5.16838 9.54522 6.95658 9.73107 6.80302 7.66153 numMergedOcc 0
21 mol 259 unq 2 iso 0 dist 9.80725 9.92544 9.2885 12.9189 5.43184 8.03219 numMergedOcc 0
22 mol 264 unq 0 iso 0 dist 6.43775 3.63202 7.05095 7.36905 6.46871 5.90924 numMergedOcc 0
23 mol 264 unq 1 iso 0 dist 6.43775 3.63202 7.05095 9.43335 9.80039 5.90058 numMergedOcc 0
24 mol 264 unq 2 iso 0 dist 6.43775 3.63202 7.05095 6.83408 6.62911 9.58916 numMergedOcc 0
25 mol 273 unq 0 iso 0 dist 9.83374 13.0429 8.28809 16.347 6.69098 9.59325 numMergedOcc 0
26 mol 273 unq 1 iso 0 dist 5.75335 5.19474 8.28809 10.1523 6.69098 9.59325 numMergedOcc 0
27 mol 274 unq 0 iso 0 dist 6.8693 15.4174 9.40401 15.2286 11.1036 9.30212 numMergedOcc 0
28 mol 274 unq 1 iso 0 dist 7.03782 5.08716 5.64169 14.2489 11.5127 9.30212 numMergedOcc 0
29 mol 280 unq 0 iso 0 dist 4.26671 5.55901 6.16546 9.16248 8.30978 6.02353 numMergedOcc 0
30 mol 280 unq 1 iso 0 dist 4.26671 5.55901 6.16546 9.02427 5.80223 6.86234 numMergedOcc 0
