0 mol 7 unq 0 iso 0 dist 7.21217 6.09254 7.10621 9.80599 5.44992 5.72491 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 5.84479 6.53177 7.63133 11.5401 10.454 6.56335 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 8.67719 6.53177 5.46498 11.5401 6.70071 6.56335 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 9.90845 9.59761 8.86116 5.78238 5.97304 6.60423 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 9.74445 10.323 8.80331 15.1191 9.06158 9.93832 numMergedOcc 0
5 mol 43 unq 1 iso 0 dist 9.74445 14.445 6.20293 15.1191 9.06158 8.60739 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 9.68526 8.31041 9.38498 10.5067 15.7304 7.04044 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 9.72442 11.7069 9.38498 14.8476 15.7304 7.04044 numMergedOcc 0
8 mol 73 unq 2 iso 0 dist 6.89722 10.4716 9.96396 13.0088 8.26458 7.04044 numMergedOcc 0
9 mol 73 unq 3 iso 0 dist 6.89722 5.2774 6.19304 13.0088 8.26458 8.73253 numMergedOcc 0
10 mol 73 unq 4 iso 0 dist 6.89722 13.9156 8.70481 20.6347 14.8866 8.85586 numMergedOcc 0
11 mol 73 unq 5 iso 0 dist 6.89722 13.9156 8.70481 14.6904 8.05119 7.11 numMergedOcc 0
12 mol 73 unq 6 iso 0 dist 7.26679 8.31041 9.96396 10.5067 8.26458 7.04044 numMergedOcc 0
13 mol 73 unq 7 iso 0 dist 7.26679 5.44275 6.19304 10.5067 8.26458 8.73253 numMergedOcc 0
14 mol 73 unq 8 iso 0 dist 7.26679 11.2674 8.70481 17.0516 14.8866 8.85586 numMergedOcc 0
15 mol 73 unq 9 iso 0 dist 7.26679 11.2674 8.70481 12.9368 8.05119 7.11 numMergedOcc 0
16 mol 73 unq 10 iso 0 dist 9.30776 8.31041 9.75218 10.5067 8.35241 7.04044 numMergedOcc 0
17 mol 94 unq 0 iso 0 dist 9.33801 5.81332 7.89459 11.0642 5.60279 9.97569 numMergedOcc 0
18 mol 112 unq 0 iso 0 dist 6.85381 12.5148 9.60462 18.7293 17.3924 9.92283 numMergedOcc 0
19 mol 112 unq 1 iso 0 dist 6.85381 12.5148 9.60462 9.54846 3.98564 7.23962 numMergedOcc 0
20 mol 112 unq 2 iso 0 dist 6.85381 6.38057 7.45389 9.54846 3.98564 7.30204 numMergedOcc 0
21 mol 119 unq 0 iso 0 dist 9.42766 14.0677 8.73993 10.1832 3.78311 7.77116 numMergedOcc 0
22 mol 126 unq 0 iso 0 dist 9.06961 9.07346 6.06638 8.8359 5.5703 9.46588 numMergedOcc 0
23 mol 152 unq 0 iso 0 dist 9.10619 9.66339 8.56324 14.8536 9.35627 9.77552 numMergedOcc 0
24 mol 152 unq 1 iso 0 dist 9.10619 13.9994 6.70283 14.8536 9.35627 8.28642 numMergedOcc 0
25 mol 152 unq 2 iso 0 dist 9.74498 10.7816 8.67331 17.5431 11.2078 8.28642 numMergedOcc 0
26 mol 175 unq 0 iso 0 dist 9.00898 5.96451 9.29945 5.32236 4.24624 8.0154 numMergedOcc 0
27 mol 180 unq 0 iso 0 dist 8.44989 9.76368 9.62337 15.1032 8.66662 9.18528 numMergedOcc 0
28 mol 188 unq 0 iso 0 dist 6.02561 5.5682 9.96154 5.77968 4.46081 8.47347 numMergedOcc 0
29 mol 220 unq 0 iso 0 dist 9.8711 4.90657 9.23153 6.50846 6.17628 5.45036 numMergedOcc 0
30 mol 220 unq 1 iso 0 dist 9.8711 4.90657 9.23153 14.8113 14.0253 9.97586 numMergedOcc 0
31 mol 222 unq 0 iso 0 dist 8.7347 8.81265 6.00706 12.5498 6.42798 7.862 numMergedOcc 0
32 mol 224 unq 0 iso 0 dist 9.75313 6.46679 6.61986 11.4439 4.59567 8.37597 numMergedOcc 0
33 mol 224 unq 1 iso 0 dist 6.08709 7.85135 6.61986 10.3724 4.59567 8.37597 numMergedOcc 0
34 mol 227 unq 0 iso 0 dist 9.17826 14.9329 7.22101 13.4281 11.0628 8.38865 numMergedOcc 0
35 mol 227 unq 1 iso 0 dist 9.17826 13.2783 8.65997 13.4281 11.0628 5.4694 numMergedOcc 0
36 mol 227 unq 2 iso 0 dist 9.17826 11.4528 7.55216 14.5658 10.6244 5.87815 numMergedOcc 0
37 mol 227 unq 3 iso 0 dist 9.64299 7.69739 7.09863 14.0932 12.9587 8.38865 numMergedOcc 0
38 mol 229 unq 0 iso 0 dist 9.84492 11.9226 8.22528 19.2949 11.6847 8.92743 numMergedOcc 0
39 mol 230 unq 0 iso 0 dist 8.43766 7.07028 6.7547 10.3524 6.20661 6.41286 numMergedOcc 0
40 mol 234 unq 0 iso 0 dist 5.89084 4.74041 6.56247 4.7359 5.63086 8.24186 numMergedOcc 0
41 mol 234 unq 1 iso 0 dist 5.89084 6.16697 9.45496 4.7359 5.63086 7.5366 numMergedOcc 0
42 mol 234 unq 2 iso 0 dist 8.47009 4.74041 9.36357 4.7359 5.6819 8.24186 numMergedOcc 0
43 mol 234 unq 3 iso 0 dist 8.47009 6.16697 6.7625 4.7359 5.6819 7.5366 numMergedOcc 0
44 mol 238 unq 0 iso 0 dist 5.24313 12.1448 7.31233 10.6502 7.83352 5.64181 numMergedOcc 0
45 mol 248 unq 0 iso 0 dist 7.66519 6.42363 9.56569 7.21518 6.71566 6.77954 numMergedOcc 0
46 mol 248 unq 1 iso 0 dist 8.71859 4.53213 7.69895 8.46518 5.99459 6.17052 numMergedOcc 0
47 mol 248 unq 2 iso 0 dist 8.71859 6.33032 7.21521 8.46518 5.99459 9.77666 numMergedOcc 0
48 mol 252 unq 0 iso 0 dist 9.73021 5.26867 7.19638 6.88874 5.25252 6.86945 numMergedOcc 0
49 mol 258 unq 0 iso 0 dist 8.58088 10.221 6.60405 14.7484 7.42673 6.70815 numMergedOcc 0
50 mol 258 unq 1 iso 0 dist 8.58088 9.22664 6.42289 14.7484 7.42673 7.99477 numMergedOcc 0
51 mol 258 unq 2 iso 0 dist 8.58088 9.22664 6.42289 13.7217 6.44209 7.86627 numMergedOcc 0
52 mol 259 unq 0 iso 0 dist 9.58006 11.8501 7.46176 11.5672 5.60748 8.55558 numMergedOcc 0
53 mol 272 unq 0 iso 0 dist 9.1118 11.082 9.97651 5.7564 4.86504 9.64269 numMergedOcc 0
54 mol 272 unq 1 iso 0 dist 9.1118 6.72149 8.46116 5.7564 4.86504 8.46061 numMergedOcc 0
55 mol 272 unq 2 iso 0 dist 6.94346 9.58279 8.33638 14.5853 8.7909 8.46061 numMergedOcc 0
