0 mol 7 unq 0 iso 0 dist 7.21217 6.09254 7.10621 9.80599 5.44992 5.72491 14.899 13.156 9.67164 8.0744 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 9.90845 9.59761 8.86116 5.78238 5.97304 6.60423 10.1898 5.11636 7.95042 4.47891 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 9.74445 10.323 8.80331 15.1191 9.06158 9.93832 10.872 5.41726 6.6263 4.55347 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 9.74445 14.445 6.20293 15.1191 9.06158 8.60739 10.872 5.41726 6.75943 4.55347 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 9.68526 8.31041 9.38498 10.5067 15.7304 7.04044 11.4233 17.4121 9.73086 7.8972 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 9.72442 11.7069 9.38498 14.8476 15.7304 7.04044 14.3455 17.4121 9.73086 7.8972 numMergedOcc 0
6 mol 73 unq 2 iso 0 dist 6.89722 10.4716 9.96396 13.0088 8.26458 7.04044 10.1662 5.70116 9.73086 7.8972 numMergedOcc 0
7 mol 73 unq 3 iso 0 dist 6.89722 5.2774 6.19304 13.0088 8.26458 8.73253 9.71578 6.20232 8.68662 10.9746 numMergedOcc 0
8 mol 73 unq 4 iso 0 dist 6.89722 5.2774 6.19304 13.0088 8.26458 8.73253 10.1662 5.70116 7.4369 7.8972 numMergedOcc 0
9 mol 73 unq 5 iso 0 dist 6.89722 13.9156 8.70481 20.6347 14.8866 8.85586 15.9711 11.2069 5.5087 5.50891 numMergedOcc 0
10 mol 73 unq 6 iso 0 dist 6.89722 13.9156 8.70481 20.6347 14.8866 8.85586 16.9878 10.6713 6.08682 4.75954 numMergedOcc 0
11 mol 73 unq 7 iso 0 dist 6.89722 13.9156 8.70481 14.6904 8.05119 7.11 15.9711 11.2069 5.5087 7.50869 numMergedOcc 0
12 mol 73 unq 8 iso 0 dist 6.89722 13.9156 8.70481 14.6904 8.05119 7.11 16.9878 10.6713 6.08682 3.6807 numMergedOcc 0
13 mol 73 unq 9 iso 0 dist 7.26679 8.31041 9.96396 10.5067 8.26458 7.04044 11.4233 5.70116 9.73086 7.8972 numMergedOcc 0
14 mol 73 unq 10 iso 0 dist 7.26679 5.44275 6.19304 10.5067 8.26458 8.73253 12.3622 6.20232 8.68662 10.9746 numMergedOcc 0
15 mol 73 unq 11 iso 0 dist 7.26679 5.44275 6.19304 10.5067 8.26458 8.73253 11.4233 5.70116 7.4369 7.8972 numMergedOcc 0
16 mol 73 unq 12 iso 0 dist 7.26679 11.2674 8.70481 17.0516 14.8866 8.85586 11.9031 11.2069 5.5087 5.50891 numMergedOcc 0
17 mol 73 unq 13 iso 0 dist 7.26679 11.2674 8.70481 17.0516 14.8866 8.85586 14.3253 10.6713 6.08682 4.75954 numMergedOcc 0
18 mol 73 unq 14 iso 0 dist 7.26679 11.2674 8.70481 12.9368 8.05119 7.11 11.9031 11.2069 5.5087 7.50869 numMergedOcc 0
19 mol 73 unq 15 iso 0 dist 7.26679 11.2674 8.70481 12.9368 8.05119 7.11 14.3253 10.6713 6.08682 3.6807 numMergedOcc 0
20 mol 73 unq 16 iso 0 dist 9.30776 8.31041 9.75218 10.5067 8.35241 7.04044 11.4233 14.844 9.73086 7.8972 numMergedOcc 0
21 mol 152 unq 0 iso 0 dist 9.10619 9.66339 8.56324 14.8536 9.35627 9.77552 10.3465 5.39112 6.59889 4.71678 numMergedOcc 0
22 mol 152 unq 1 iso 0 dist 9.10619 9.66339 8.56324 14.8536 9.35627 9.77552 8.78112 4.84714 8.9192 7.11377 numMergedOcc 0
23 mol 152 unq 2 iso 0 dist 9.10619 13.9994 6.70283 14.8536 9.35627 8.28642 10.3465 5.39112 6.70693 4.71678 numMergedOcc 0
24 mol 152 unq 3 iso 0 dist 9.74498 10.7816 8.67331 17.5431 11.2078 8.28642 16.2421 9.67475 6.70693 4.71678 numMergedOcc 0
25 mol 227 unq 0 iso 0 dist 9.17826 14.9329 7.22101 13.4281 11.0628 8.38865 11.1592 5.0317 5.23634 7.3164 numMergedOcc 0
26 mol 227 unq 1 iso 0 dist 9.17826 13.2783 8.65997 13.4281 11.0628 5.4694 11.1592 5.0317 6.91318 7.3164 numMergedOcc 0
27 mol 227 unq 2 iso 0 dist 9.64299 7.69739 7.09863 14.0932 12.9587 8.38865 10.3251 5.83175 5.23634 7.3164 numMergedOcc 0
28 mol 229 unq 0 iso 0 dist 9.84492 11.9226 8.22528 19.2949 11.6847 8.92743 14.7472 5.70473 7.27993 6.93188 numMergedOcc 0
29 mol 234 unq 0 iso 0 dist 5.89084 6.16697 9.45496 4.7359 5.63086 7.5366 12.4723 12.4252 7.81215 11.0592 numMergedOcc 0
30 mol 234 unq 1 iso 0 dist 8.47009 6.16697 6.7625 4.7359 5.6819 7.5366 12.4723 5.75498 7.81215 11.0592 numMergedOcc 0
31 mol 238 unq 0 iso 0 dist 5.24313 12.1448 7.31233 10.6502 7.83352 5.64181 13.7468 11.0772 9.08509 6.94907 numMergedOcc 0
32 mol 248 unq 0 iso 0 dist 8.71859 4.53213 7.69895 8.46518 5.99459 6.17052 7.90773 4.58289 9.05018 7.14182 numMergedOcc 0
33 mol 252 unq 0 iso 0 dist 9.73021 5.26867 7.19638 6.88874 5.25252 6.86945 4.54745 7.40852 7.15764 4.34126 numMergedOcc 0
34 mol 259 unq 0 iso 0 dist 9.58006 11.8501 7.46176 11.5672 5.60748 8.55558 13.565 10.067 5.85442 7.32929 numMergedOcc 0
35 mol 259 unq 1 iso 0 dist 9.58006 11.8501 7.46176 11.5672 5.60748 8.55558 12.5187 11.6988 6.95511 9.55426 numMergedOcc 0
