0 mol 11 unq 0 iso 0 dist 9.08736 7.86896 8.68293 9.23212 7.28643 4.61088 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 9.74528 7.86896 6.84216 9.23212 9.68636 4.61088 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.11143 6.88453 7.49157 13.0211 8.66248 6.86014 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 7.72372 5.78908 7.03372 11.193 7.23535 7.31767 numMergedOcc 0
4 mol 25 unq 1 iso 0 dist 7.72372 5.78908 7.03372 10.8651 9.92243 6.03987 numMergedOcc 0
5 mol 43 unq 0 iso 0 dist 8.81562 4.80528 9.02471 12.8866 12.6657 8.80331 numMergedOcc 0
6 mol 43 unq 1 iso 0 dist 8.81562 4.80528 9.02471 10.6604 14.0654 6.20293 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 7.02693 10.8067 6.23522 10.392 4.73407 9.38498 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 7.02693 6.58444 9.10566 4.24428 3.85805 5.93252 numMergedOcc 0
9 mol 73 unq 2 iso 0 dist 8.58248 7.9573 6.23522 7.01889 4.73407 9.38498 numMergedOcc 0
10 mol 73 unq 3 iso 0 dist 8.58248 17.249 9.10566 12.424 3.85805 5.93252 numMergedOcc 0
11 mol 73 unq 4 iso 0 dist 4.8983 4.30874 7.37171 11.6749 15.1432 8.70481 numMergedOcc 0
12 mol 76 unq 0 iso 0 dist 5.91098 10.2219 7.61521 4.83274 3.69293 6.97941 numMergedOcc 0
13 mol 76 unq 1 iso 0 dist 4.86523 7.74851 7.61521 7.89214 3.69293 6.97941 numMergedOcc 0
14 mol 95 unq 0 iso 0 dist 9.02905 4.33346 7.51733 8.26838 4.73066 9.03572 numMergedOcc 0
15 mol 95 unq 1 iso 0 dist 9.02905 7.47119 9.01607 8.26838 4.73066 8.83255 numMergedOcc 0
16 mol 112 unq 0 iso 0 dist 9.64908 10.746 6.87434 9.43616 4.69658 7.71338 numMergedOcc 0
17 mol 113 unq 0 iso 0 dist 9.57769 10.9135 9.30832 12.0942 5.46207 5.86073 numMergedOcc 0
18 mol 122 unq 0 iso 0 dist 4.821 6.28781 4.42563 11.9171 7.90729 8.37808 numMergedOcc 0
19 mol 129 unq 0 iso 0 dist 4.4077 4.80675 7.97548 10.1938 12.5321 8.54584 numMergedOcc 0
20 mol 129 unq 1 iso 0 dist 4.4077 5.57362 9.9291 10.1938 12.5321 8.53613 numMergedOcc 0
21 mol 129 unq 2 iso 0 dist 8.4874 4.80675 9.64164 10.1938 11.3755 8.54584 numMergedOcc 0
22 mol 133 unq 0 iso 0 dist 9.35049 13.1243 5.78814 15.4604 6.12885 6.5107 numMergedOcc 0
23 mol 143 unq 0 iso 0 dist 9.99012 17.4764 8.64905 12.703 6.75249 5.99315 numMergedOcc 0
24 mol 143 unq 1 iso 0 dist 5.33772 5.11989 8.64905 7.5984 6.75249 5.99315 numMergedOcc 0
25 mol 152 unq 0 iso 0 dist 8.09561 10.0459 6.79114 11.3133 4.68615 5.87555 numMergedOcc 0
26 mol 152 unq 1 iso 0 dist 8.09561 10.0459 6.79114 13.5498 9.35878 8.87437 numMergedOcc 0
27 mol 152 unq 2 iso 0 dist 9.07315 10.0459 7.59457 11.3133 4.73288 5.87555 numMergedOcc 0
28 mol 152 unq 3 iso 0 dist 9.07315 10.0459 7.59457 13.5498 4.70284 8.87437 numMergedOcc 0
29 mol 152 unq 4 iso 0 dist 9.07315 14.7437 9.00072 18.2844 12.2243 8.56324 numMergedOcc 0
30 mol 152 unq 5 iso 0 dist 9.07315 14.7437 9.00072 11.3133 4.73288 6.70283 numMergedOcc 0
31 mol 152 unq 6 iso 0 dist 9.07315 14.7437 9.00072 13.5498 4.70284 7.16148 numMergedOcc 0
32 mol 152 unq 7 iso 0 dist 9.07315 10.719 7.55419 11.3133 4.73288 8.67331 numMergedOcc 0
33 mol 152 unq 8 iso 0 dist 9.07315 10.719 7.55419 13.5498 4.70284 8.05741 numMergedOcc 0
34 mol 152 unq 9 iso 0 dist 6.68265 6.62991 7.55934 11.2249 9.73449 8.56324 numMergedOcc 0
35 mol 152 unq 10 iso 0 dist 7.78842 7.17016 7.55934 13.9298 9.73449 8.56324 numMergedOcc 0
36 mol 167 unq 0 iso 0 dist 8.06817 8.88239 5.36671 15.9047 12.8624 9.87651 numMergedOcc 0
37 mol 205 unq 0 iso 0 dist 8.83628 14.3203 9.31158 19.1456 10.8636 9.61492 numMergedOcc 0
38 mol 205 unq 1 iso 0 dist 8.83628 14.3203 9.31158 10.8734 5.42503 7.45763 numMergedOcc 0
39 mol 214 unq 0 iso 0 dist 9.46274 14.5108 9.06459 9.4835 4.15355 8.82096 numMergedOcc 0
40 mol 253 unq 0 iso 0 dist 6.93942 4.75041 5.77511 11.7899 11.5574 7.32223 numMergedOcc 0
41 mol 253 unq 1 iso 0 dist 6.93942 4.75041 5.77511 11.9069 10.2118 8.31064 numMergedOcc 0
42 mol 253 unq 2 iso 0 dist 6.93942 8.65261 9.27311 11.9069 10.2118 6.73034 numMergedOcc 0
43 mol 253 unq 3 iso 0 dist 9.05161 4.75041 7.81382 11.7899 12.8384 7.32223 numMergedOcc 0
44 mol 253 unq 4 iso 0 dist 9.05161 4.75041 7.81382 11.9069 12.4811 8.31064 numMergedOcc 0
45 mol 253 unq 5 iso 0 dist 9.80396 6.27022 8.94786 7.71295 8.57513 6.73034 numMergedOcc 0
46 mol 253 unq 6 iso 0 dist 6.3093 4.84708 9.19385 7.80525 5.85692 7.32223 numMergedOcc 0
47 mol 253 unq 7 iso 0 dist 6.3093 4.84708 9.19385 7.71295 6.0222 8.31064 numMergedOcc 0
48 mol 253 unq 8 iso 0 dist 6.3093 6.27022 9.1927 7.71295 6.0222 6.73034 numMergedOcc 0
49 mol 253 unq 9 iso 0 dist 9.31626 8.62694 5.77511 15.1349 11.5574 7.32223 numMergedOcc 0
50 mol 253 unq 10 iso 0 dist 9.31626 8.62694 5.77511 16.7284 10.2118 8.31064 numMergedOcc 0
51 mol 253 unq 11 iso 0 dist 9.31626 14.0529 9.27311 16.7284 10.2118 6.73034 numMergedOcc 0
52 mol 253 unq 12 iso 0 dist 9.77366 8.62694 7.81382 15.1349 12.8384 7.32223 numMergedOcc 0
53 mol 253 unq 13 iso 0 dist 9.77366 8.62694 7.81382 16.7284 12.4811 8.31064 numMergedOcc 0
54 mol 277 unq 0 iso 0 dist 4.1545 5.77904 4.9764 8.35794 11.8607 9.7748 numMergedOcc 0
55 mol 277 unq 1 iso 0 dist 4.25172 5.77904 6.36559 8.35794 10.9137 9.7748 numMergedOcc 0
