0 mol 7 unq 0 iso 0 dist 5.83658 13.9246 8.23909 10.826 9.60499 13.823 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 5.83658 6.08819 6.72215 10.826 9.60499 5.38502 numMergedOcc 0
2 mol 14 unq 0 iso 0 dist 8.91266 7.67076 8.73627 4.15151 6.38364 9.18933 numMergedOcc 0
3 mol 34 unq 0 iso 0 dist 6.85305 6.71226 6.87871 4.70723 9.24927 8.95909 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 6.46655 6.55138 6.48625 8.94845 7.17396 6.34264 numMergedOcc 0
5 mol 59 unq 1 iso 0 dist 6.46655 6.55138 6.48625 6.32263 9.21998 5.30842 numMergedOcc 0
6 mol 102 unq 0 iso 0 dist 9.0361 11.7098 9.01767 7.49575 7.36792 6.42572 numMergedOcc 0
7 mol 102 unq 1 iso 0 dist 9.0361 5.51997 9.80678 7.49575 7.36792 5.54551 numMergedOcc 0
8 mol 109 unq 0 iso 0 dist 8.46734 11.6409 8.21889 6.43998 7.34473 5.5332 numMergedOcc 0
9 mol 112 unq 0 iso 0 dist 5.81552 5.16543 6.85381 10.626 9.60462 12.5148 numMergedOcc 0
10 mol 112 unq 1 iso 0 dist 5.81552 5.16543 6.85381 5.27363 7.45389 6.38057 numMergedOcc 0
11 mol 115 unq 0 iso 0 dist 6.09472 5.14617 6.86946 5.74878 4.99221 5.889 numMergedOcc 0
12 mol 115 unq 1 iso 0 dist 8.93552 11.6665 6.86946 6.07331 4.99221 5.889 numMergedOcc 0
13 mol 115 unq 2 iso 0 dist 6.20658 9.9398 6.86946 7.09627 4.99221 5.889 numMergedOcc 0
14 mol 127 unq 0 iso 0 dist 7.73139 14.0161 8.40046 11.0785 9.30299 9.75166 numMergedOcc 0
15 mol 127 unq 1 iso 0 dist 6.66607 6.39358 8.40046 8.89539 9.30299 9.75166 numMergedOcc 0
16 mol 127 unq 2 iso 0 dist 8.62711 15.8417 8.40046 10.345 9.30299 9.75166 numMergedOcc 0
17 mol 133 unq 0 iso 0 dist 9.89098 7.52391 9.48243 8.96845 9.91388 11.6637 numMergedOcc 0
18 mol 175 unq 0 iso 0 dist 6.6776 11.3267 8.69888 13.7028 9.0018 11.5099 numMergedOcc 0
19 mol 175 unq 1 iso 0 dist 6.6776 11.3267 8.69888 10.4662 5.6234 5.50014 numMergedOcc 0
20 mol 175 unq 2 iso 0 dist 6.6776 11.3267 8.69888 7.42609 6.57069 7.39186 numMergedOcc 0
21 mol 175 unq 3 iso 0 dist 6.6776 4.44885 5.08206 13.7028 9.0018 12.1783 numMergedOcc 0
22 mol 175 unq 4 iso 0 dist 6.6776 4.44885 5.08206 10.4662 5.6234 7.28617 numMergedOcc 0
23 mol 175 unq 5 iso 0 dist 6.6776 4.44885 5.08206 7.42609 6.57069 5.77256 numMergedOcc 0
24 mol 182 unq 0 iso 0 dist 9.36307 4.39505 7.86625 9.72559 9.31746 5.40949 numMergedOcc 0
25 mol 188 unq 0 iso 0 dist 7.63268 4.54544 6.02561 7.63236 9.96154 5.5682 numMergedOcc 0
26 mol 210 unq 0 iso 0 dist 6.53736 14.0406 9.67457 11.5481 6.18308 5.82028 numMergedOcc 0
27 mol 210 unq 1 iso 0 dist 8.18851 11.7201 9.67457 8.72811 6.18308 5.82028 numMergedOcc 0
28 mol 214 unq 0 iso 0 dist 9.40003 10.6403 8.49704 16.5528 9.65138 12.4611 numMergedOcc 0
29 mol 214 unq 1 iso 0 dist 9.40003 10.6403 8.49704 9.11345 7.14453 11.832 numMergedOcc 0
30 mol 214 unq 2 iso 0 dist 9.40003 10.6403 8.49704 16.922 8.85478 10.644 numMergedOcc 0
31 mol 214 unq 3 iso 0 dist 8.68385 15.7236 8.49704 10.2443 9.65138 12.4611 numMergedOcc 0
32 mol 214 unq 4 iso 0 dist 8.68385 15.7236 8.49704 12.5421 7.14453 11.832 numMergedOcc 0
33 mol 214 unq 5 iso 0 dist 8.68385 15.7236 8.49704 9.18071 8.85478 10.644 numMergedOcc 0
34 mol 220 unq 0 iso 0 dist 8.9077 15.8912 7.31105 10.6943 9.23153 14.6296 numMergedOcc 0
35 mol 220 unq 1 iso 0 dist 8.9077 15.8912 7.31105 15.396 8.24498 9.52692 numMergedOcc 0
36 mol 222 unq 0 iso 0 dist 7.27481 4.56782 8.7347 5.68063 6.00706 8.81265 numMergedOcc 0
37 mol 222 unq 1 iso 0 dist 7.27481 4.56782 8.7347 5.90074 7.54212 4.28891 numMergedOcc 0
38 mol 224 unq 0 iso 0 dist 4.79841 6.4556 6.56437 11.4653 8.95269 14.2632 numMergedOcc 0
39 mol 224 unq 1 iso 0 dist 4.79841 5.66462 6.23882 11.4653 8.95269 15.0038 numMergedOcc 0
40 mol 224 unq 2 iso 0 dist 4.79841 7.70922 9.53131 11.4653 8.95269 9.59595 numMergedOcc 0
41 mol 224 unq 3 iso 0 dist 4.79841 9.46589 9.34636 11.4653 8.95269 5.63485 numMergedOcc 0
42 mol 230 unq 0 iso 0 dist 8.33847 11.47 8.49299 7.37154 6.7547 6.9602 numMergedOcc 0
43 mol 230 unq 1 iso 0 dist 9.12305 8.83586 8.49299 9.0274 6.7547 6.9602 numMergedOcc 0
44 mol 236 unq 0 iso 0 dist 6.73134 10.1358 8.77254 5.52669 8.04248 5.74377 numMergedOcc 0
45 mol 236 unq 1 iso 0 dist 6.73134 10.1358 8.77254 5.27568 8.35971 10.054 numMergedOcc 0
46 mol 253 unq 0 iso 0 dist 8.53729 5.07076 7.7993 16.1265 9.02271 13.0587 numMergedOcc 0
47 mol 253 unq 1 iso 0 dist 8.53729 11.9553 6.10761 16.1265 9.02271 4.70422 numMergedOcc 0
48 mol 253 unq 2 iso 0 dist 8.07341 7.67871 7.7993 16.581 9.02271 13.0587 numMergedOcc 0
49 mol 253 unq 3 iso 0 dist 8.07341 12.5746 6.10761 16.581 9.02271 4.70422 numMergedOcc 0
50 mol 261 unq 0 iso 0 dist 7.15785 6.13416 9.62828 6.5875 8.02547 10.5691 numMergedOcc 0
51 mol 272 unq 0 iso 0 dist 4.78812 8.20642 6.94346 5.27123 8.33638 9.58279 numMergedOcc 0
52 mol 272 unq 1 iso 0 dist 6.62923 6.07797 9.1118 11.9042 9.97651 11.082 numMergedOcc 0
53 mol 272 unq 2 iso 0 dist 6.62923 6.07797 9.1118 5.27123 8.46116 6.72149 numMergedOcc 0
54 mol 276 unq 0 iso 0 dist 5.30976 4.48428 9.05218 7.38126 9.8993 5.72513 numMergedOcc 0
55 mol 276 unq 1 iso 0 dist 5.30976 4.48428 9.05218 6.39319 6.87396 8.86096 numMergedOcc 0
56 mol 279 unq 0 iso 0 dist 5.17586 5.72978 8.13489 5.9229 9.70696 5.51096 numMergedOcc 0
