0 mol 7 unq 0 iso 0 dist 9.8603 13.8384 5.72491 20.3971 12.2041 7.88043 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 5.51421 10.3237 7.88043 13.5184 12.2041 5.72491 numMergedOcc 0
2 mol 8 unq 0 iso 0 dist 7.46102 12.3138 7.3915 16.9088 12.4076 6.82379 numMergedOcc 0
3 mol 8 unq 1 iso 0 dist 7.46102 12.3138 7.3915 16.0417 9.22548 6.24978 numMergedOcc 0
4 mol 8 unq 2 iso 0 dist 7.46102 12.3138 7.3915 15.0093 7.96511 9.66439 numMergedOcc 0
5 mol 25 unq 0 iso 0 dist 8.40051 13.0772 6.90155 17.3995 10.6808 5.81959 numMergedOcc 0
6 mol 26 unq 0 iso 0 dist 6.88695 6.29311 5.69955 14.2765 9.78225 8.6385 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 6.18305 11.4574 8.73253 11.0671 5.4148 7.04044 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 8.06168 9.33688 5.16364 15.4463 8.07446 8.85586 numMergedOcc 0
9 mol 73 unq 2 iso 0 dist 8.67532 13.4716 5.16364 12.1964 8.07446 8.85586 numMergedOcc 0
10 mol 109 unq 0 iso 0 dist 8.3164 10.9842 5.34214 11.4135 4.98336 7.55384 numMergedOcc 0
11 mol 119 unq 0 iso 0 dist 8.44385 9.79485 7.99857 5.63005 4.85907 8.56342 numMergedOcc 0
12 mol 119 unq 1 iso 0 dist 5.63005 9.79485 8.56342 8.44385 4.85907 7.99857 numMergedOcc 0
13 mol 131 unq 0 iso 0 dist 7.81337 6.99491 9.29384 13.8648 13.2572 9.15431 numMergedOcc 0
14 mol 131 unq 1 iso 0 dist 7.81337 6.99491 9.29384 10.4432 6.63273 6.92648 numMergedOcc 0
15 mol 134 unq 0 iso 0 dist 9.92932 8.2282 8.20836 13.0095 5.62899 7.36779 numMergedOcc 0
16 mol 134 unq 1 iso 0 dist 9.60369 4.02705 7.36779 9.55556 5.62899 8.20836 numMergedOcc 0
17 mol 134 unq 2 iso 0 dist 9.55556 4.02705 8.20836 9.60369 5.62899 7.36779 numMergedOcc 0
18 mol 195 unq 0 iso 0 dist 7.63036 6.90444 6.60567 14.0513 10.7531 7.62942 numMergedOcc 0
19 mol 207 unq 0 iso 0 dist 9.18896 12.5598 7.96797 15.4804 11.0921 8.32218 numMergedOcc 0
20 mol 212 unq 0 iso 0 dist 5.87223 6.8255 6.29767 9.90588 4.12932 8.57827 numMergedOcc 0
21 mol 212 unq 1 iso 0 dist 8.062 11.009 6.29767 10.355 4.12932 8.57827 numMergedOcc 0
22 mol 212 unq 2 iso 0 dist 8.70011 8.66123 6.29767 12.6486 4.12932 8.57827 numMergedOcc 0
23 mol 214 unq 0 iso 0 dist 4.84709 6.83037 8.46327 12.9165 12.7897 7.05523 numMergedOcc 0
24 mol 218 unq 0 iso 0 dist 7.0843 5.77167 6.29367 7.73315 4.72474 5.76954 numMergedOcc 0
25 mol 218 unq 1 iso 0 dist 7.0843 5.77167 6.29367 6.9398 6.17651 9.20961 numMergedOcc 0
26 mol 218 unq 2 iso 0 dist 7.0843 13.9605 8.86175 7.73315 4.72474 6.29511 numMergedOcc 0
27 mol 218 unq 3 iso 0 dist 7.73315 5.77167 5.76954 7.0843 4.72474 6.29367 numMergedOcc 0
28 mol 218 unq 4 iso 0 dist 7.73315 5.77167 5.76954 6.9398 5.61978 9.20961 numMergedOcc 0
29 mol 218 unq 5 iso 0 dist 7.73315 13.9605 6.29511 7.0843 4.72474 8.86175 numMergedOcc 0
30 mol 218 unq 6 iso 0 dist 6.9398 5.77167 9.20961 7.0843 6.17651 6.29367 numMergedOcc 0
31 mol 218 unq 7 iso 0 dist 6.9398 5.77167 9.20961 7.73315 5.61978 5.76954 numMergedOcc 0
32 mol 229 unq 0 iso 0 dist 8.6537 7.78418 8.92743 10.8071 6.94172 8.08082 numMergedOcc 0
33 mol 229 unq 1 iso 0 dist 8.6537 7.78418 8.92743 5.57702 7.0298 5.77318 numMergedOcc 0
34 mol 229 unq 2 iso 0 dist 8.6537 7.78418 8.92743 13.1488 15.7694 8.19603 numMergedOcc 0
35 mol 229 unq 3 iso 0 dist 5.57702 7.78418 5.77318 8.6537 7.0298 8.92743 numMergedOcc 0
36 mol 229 unq 4 iso 0 dist 5.57702 7.78418 5.77318 10.8071 5.5729 8.08082 numMergedOcc 0
37 mol 229 unq 5 iso 0 dist 5.57702 7.78418 5.77318 13.1488 9.96077 8.19603 numMergedOcc 0
38 mol 234 unq 0 iso 0 dist 7.86368 6.83465 7.5366 11.1688 9.82284 7.56091 numMergedOcc 0
39 mol 234 unq 1 iso 0 dist 7.86368 6.83465 7.5366 12.3151 5.88703 8.24186 numMergedOcc 0
40 mol 258 unq 0 iso 0 dist 9.59174 5.79227 9.1925 10.3054 4.26007 8.15467 numMergedOcc 0
41 mol 259 unq 0 iso 0 dist 9.54857 12.7168 8.55558 9.56653 9.98105 8.59697 numMergedOcc 0
42 mol 259 unq 1 iso 0 dist 6.42725 12.2782 8.59697 9.73341 9.98105 8.55558 numMergedOcc 0
43 mol 261 unq 0 iso 0 dist 8.65236 3.67304 5.26434 9.73983 7.00201 8.60026 numMergedOcc 0
44 mol 261 unq 1 iso 0 dist 9.73983 3.67304 8.60026 8.65236 7.00201 5.26434 numMergedOcc 0
45 mol 264 unq 0 iso 0 dist 7.36905 5.7394 7.52281 6.83408 8.96144 6.42588 numMergedOcc 0
46 mol 264 unq 1 iso 0 dist 6.83408 5.7394 6.42588 7.36905 8.96144 7.52281 numMergedOcc 0
47 mol 277 unq 0 iso 0 dist 9.77689 9.41779 6.57903 15.7271 6.59123 9.65707 numMergedOcc 0
48 mol 277 unq 1 iso 0 dist 8.51931 12.4389 6.57903 12.7783 6.59123 9.65707 numMergedOcc 0
