0 mol 0 unq 0 iso 0 dist 9.42137 11.6896 9.6994 5.66453 6.26831 6.34883 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 9.42137 14.5258 7.15528 5.66453 6.26831 9.19662 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 9.8603 14.6665 7.10621 13.8384 5.72491 5.44992 numMergedOcc 0
3 mol 7 unq 1 iso 0 dist 5.51421 10.6104 8.41585 10.3237 7.88043 10.2446 numMergedOcc 0
4 mol 7 unq 2 iso 0 dist 5.51421 10.6104 8.41585 13 8.80762 12.3097 numMergedOcc 0
5 mol 8 unq 0 iso 0 dist 7.46102 8.25051 8.96553 12.3138 7.3915 7.43529 numMergedOcc 0
6 mol 24 unq 0 iso 0 dist 6.11056 10.4744 8.86116 5.36722 6.72502 6.58998 numMergedOcc 0
7 mol 24 unq 1 iso 0 dist 6.11056 6.9756 8.38394 5.36722 6.72502 6.59374 numMergedOcc 0
8 mol 25 unq 0 iso 0 dist 8.40051 13.466 7.57578 13.0772 6.90155 9.36158 numMergedOcc 0
9 mol 25 unq 1 iso 0 dist 8.40051 14.4191 7.17969 13.0772 6.90155 10.1525 numMergedOcc 0
10 mol 25 unq 2 iso 0 dist 8.6396 5.8503 5.04899 13.3963 6.6492 9.20601 numMergedOcc 0
11 mol 26 unq 0 iso 0 dist 9.7522 15.0931 8.34347 14.6525 8.44506 13.2876 numMergedOcc 0
12 mol 26 unq 1 iso 0 dist 6.88695 5.3315 8.34347 6.29311 5.69955 10.6756 numMergedOcc 0
13 mol 56 unq 0 iso 0 dist 7.20538 6.93876 8.66265 9.91757 6.77886 6.03623 numMergedOcc 0
14 mol 71 unq 0 iso 0 dist 8.85372 9.64576 7.38797 6.90782 7.77916 6.6504 numMergedOcc 0
15 mol 73 unq 0 iso 0 dist 6.18305 4.69583 6.19304 11.4574 8.73253 8.26458 numMergedOcc 0
16 mol 85 unq 0 iso 0 dist 6.58793 10.1919 7.95579 4.81974 7.33422 6.82174 numMergedOcc 0
17 mol 85 unq 1 iso 0 dist 6.58793 9.21014 6.19965 4.81974 7.33422 7.91778 numMergedOcc 0
18 mol 85 unq 2 iso 0 dist 6.58793 7.83419 7.66905 4.81974 7.33422 10.121 numMergedOcc 0
19 mol 98 unq 0 iso 0 dist 5.9747 4.75138 5.08437 8.89866 7.26086 7.32662 numMergedOcc 0
20 mol 98 unq 1 iso 0 dist 5.9747 10.4417 6.48948 8.89866 7.26086 13.4985 numMergedOcc 0
21 mol 98 unq 2 iso 0 dist 5.9747 11.3628 6.10456 8.89866 7.26086 6.934 numMergedOcc 0
22 mol 98 unq 3 iso 0 dist 4.50572 6.88489 5.08437 7.87523 7.26086 7.32662 numMergedOcc 0
23 mol 98 unq 4 iso 0 dist 4.50572 9.63267 6.48948 7.87523 7.26086 13.4985 numMergedOcc 0
24 mol 98 unq 5 iso 0 dist 4.50572 9.82583 6.10456 7.87523 7.26086 6.934 numMergedOcc 0
25 mol 109 unq 0 iso 0 dist 8.3164 11.5656 8.69985 10.9842 5.34214 9.14441 numMergedOcc 0
26 mol 112 unq 0 iso 0 dist 7.15985 6.68714 9.60462 6.84906 8.729 11.0629 numMergedOcc 0
27 mol 112 unq 1 iso 0 dist 7.15985 6.71889 7.45389 6.84906 8.729 5.48848 numMergedOcc 0
28 mol 115 unq 0 iso 0 dist 5.02717 5.28901 7.30858 4.92962 5.72642 5.61704 numMergedOcc 0
29 mol 115 unq 1 iso 0 dist 5.02717 6.75472 5.83991 4.92962 5.72642 6.4497 numMergedOcc 0
30 mol 115 unq 2 iso 0 dist 5.02717 11.0268 7.88312 4.92962 5.72642 7.3094 numMergedOcc 0
31 mol 115 unq 3 iso 0 dist 4.98864 6.59772 6.11741 5.01124 5.74857 6.08806 numMergedOcc 0
32 mol 115 unq 4 iso 0 dist 4.98864 10.9437 7.88312 5.01124 5.74857 7.21418 numMergedOcc 0
33 mol 115 unq 5 iso 0 dist 7.95871 4.86477 6.11741 7.39793 5.74857 6.08806 numMergedOcc 0
34 mol 115 unq 6 iso 0 dist 7.95871 12.0354 7.88312 7.39793 5.74857 7.21418 numMergedOcc 0
35 mol 119 unq 0 iso 0 dist 8.44385 12.1192 9.87172 9.79485 7.99857 7.61939 numMergedOcc 0
36 mol 119 unq 1 iso 0 dist 5.63005 10.5268 8.73993 9.79485 8.56342 4.91132 numMergedOcc 0
37 mol 119 unq 2 iso 0 dist 5.63005 10.5268 8.73993 6.81112 6.37542 6.08167 numMergedOcc 0
38 mol 120 unq 0 iso 0 dist 7.04864 4.5543 8.75408 4.63594 8.93905 7.27181 numMergedOcc 0
39 mol 120 unq 1 iso 0 dist 7.04864 6.81949 6.44653 4.63594 8.93905 10.5192 numMergedOcc 0
40 mol 126 unq 0 iso 0 dist 8.32241 4.84035 6.06638 5.93497 9.46588 5.5703 numMergedOcc 0
41 mol 131 unq 0 iso 0 dist 7.81337 11.4498 6.85062 6.99491 9.29384 9.32969 numMergedOcc 0
42 mol 134 unq 0 iso 0 dist 9.92932 10.5108 8.94367 8.2282 8.20836 9.4027 numMergedOcc 0
43 mol 134 unq 1 iso 0 dist 9.92932 6.20443 9.86662 8.2282 8.20836 5.12325 numMergedOcc 0
44 mol 134 unq 2 iso 0 dist 9.55556 11.9294 8.94367 4.02705 8.20836 9.4027 numMergedOcc 0
45 mol 134 unq 3 iso 0 dist 9.55556 6.36794 9.86662 4.02705 8.20836 5.12325 numMergedOcc 0
46 mol 143 unq 0 iso 0 dist 8.30654 11.3469 5.99315 6.29937 8.41611 12.7056 numMergedOcc 0
47 mol 143 unq 1 iso 0 dist 8.30654 11.3469 5.99315 6.49958 7.63338 12.8872 numMergedOcc 0
48 mol 143 unq 2 iso 0 dist 8.30654 11.3469 5.99315 6.80782 9.03707 7.76364 numMergedOcc 0
49 mol 143 unq 3 iso 0 dist 8.30654 11.3469 5.99315 5.82537 7.25673 9.23795 numMergedOcc 0
50 mol 180 unq 0 iso 0 dist 9.88732 6.54937 9.62337 12.4792 9.18528 8.66662 numMergedOcc 0
51 mol 180 unq 1 iso 0 dist 5.77949 6.91082 9.62337 8.4927 9.18528 8.66662 numMergedOcc 0
52 mol 180 unq 2 iso 0 dist 8.68403 10.1423 9.62337 11.4009 9.18528 8.66662 numMergedOcc 0
53 mol 180 unq 3 iso 0 dist 5.80441 9.82186 9.62337 5.05257 9.18528 8.66662 numMergedOcc 0
54 mol 192 unq 0 iso 0 dist 9.90531 8.43102 5.59424 7.32981 7.24199 7.0057 numMergedOcc 0
55 mol 192 unq 1 iso 0 dist 9.90531 4.96445 7.00794 7.32981 7.24199 8.51255 numMergedOcc 0
56 mol 214 unq 0 iso 0 dist 9.51764 6.28065 9.65138 10.5029 6.38157 7.38025 numMergedOcc 0
57 mol 214 unq 1 iso 0 dist 9.51764 11.2159 7.14453 10.5029 6.38157 9.35273 numMergedOcc 0
58 mol 214 unq 2 iso 0 dist 9.51764 6.53326 8.85478 10.5029 6.38157 5.63388 numMergedOcc 0
59 mol 214 unq 3 iso 0 dist 5.36829 11.7583 9.65138 8.38755 6.38157 7.38025 numMergedOcc 0
60 mol 214 unq 4 iso 0 dist 5.36829 4.98764 7.14453 8.38755 6.38157 9.35273 numMergedOcc 0
61 mol 214 unq 5 iso 0 dist 5.36829 12.3481 8.85478 8.38755 6.38157 5.63388 numMergedOcc 0
62 mol 214 unq 6 iso 0 dist 4.84709 4.55245 8.82096 6.83037 8.46327 10.2399 numMergedOcc 0
63 mol 229 unq 0 iso 0 dist 8.6537 8.65216 8.22528 7.78418 8.92743 11.6847 numMergedOcc 0
64 mol 229 unq 1 iso 0 dist 8.6537 10.7439 7.03423 7.78418 8.92743 9.62106 numMergedOcc 0
65 mol 229 unq 2 iso 0 dist 5.57702 6.21233 9.87838 7.78418 5.77318 7.7339 numMergedOcc 0
66 mol 234 unq 0 iso 0 dist 7.86368 12.0816 9.45496 6.83465 7.5366 5.63086 numMergedOcc 0
67 mol 234 unq 1 iso 0 dist 7.86368 6.94762 6.7625 6.83465 7.5366 5.6819 numMergedOcc 0
68 mol 234 unq 2 iso 0 dist 7.46434 13.0285 8.41436 11.2204 9.007 8.16888 numMergedOcc 0
69 mol 234 unq 3 iso 0 dist 7.46434 13.9912 8.92474 11.2204 9.007 5.3211 numMergedOcc 0
70 mol 234 unq 4 iso 0 dist 7.50424 6.88707 8.41436 11.6788 9.007 8.16888 numMergedOcc 0
71 mol 234 unq 5 iso 0 dist 7.50424 8.96936 8.92474 11.6788 9.007 5.3211 numMergedOcc 0
72 mol 253 unq 0 iso 0 dist 5.89502 9.25001 9.02271 5.73565 7.77998 13.6942 numMergedOcc 0
73 mol 253 unq 1 iso 0 dist 7.15815 4.93871 9.02271 9.82329 7.77998 13.6942 numMergedOcc 0
74 mol 253 unq 2 iso 0 dist 8.91612 5.11865 6.73034 8.31676 9.66465 6.89124 numMergedOcc 0
75 mol 258 unq 0 iso 0 dist 5.73834 6.48867 6.60405 10.6333 9.53063 6.6525 numMergedOcc 0
76 mol 258 unq 1 iso 0 dist 5.73834 7.52881 6.42289 10.6333 9.53063 5.27959 numMergedOcc 0
77 mol 259 unq 0 iso 0 dist 9.54857 15.3806 7.46176 12.7168 8.55558 5.60748 numMergedOcc 0
78 mol 259 unq 1 iso 0 dist 6.42725 8.70769 5.30224 12.2782 8.59697 7.31951 numMergedOcc 0
79 mol 261 unq 0 iso 0 dist 8.65236 4.49913 9.14619 3.67304 5.26434 6.04016 numMergedOcc 0
80 mol 261 unq 1 iso 0 dist 9.73983 4.49913 8.45658 3.67304 8.60026 6.04016 numMergedOcc 0
81 mol 294 unq 0 iso 0 dist 7.98617 10.2761 8.15665 8.97436 9.13907 5.25615 numMergedOcc 0
