0 mol 7 unq 0 iso 0 dist 6.02702 15.9584 9.97624 6.58469 8.60435 17.4118 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.72114 10.515 9.97624 16.4405 8.60435 17.4118 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 9.62394 5.60154 9.57198 11.0722 8.076 6.81435 numMergedOcc 0
3 mol 9 unq 1 iso 0 dist 9.62394 5.60154 9.57198 14.814 6.32226 13.6861 numMergedOcc 0
4 mol 19 unq 0 iso 0 dist 6.41575 5.14627 5.82366 5.18512 6.39966 6.34272 numMergedOcc 0
5 mol 19 unq 1 iso 0 dist 6.41423 4.69858 5.82366 9.47529 6.39966 6.34272 numMergedOcc 0
6 mol 27 unq 0 iso 0 dist 9.52474 7.50515 7.60283 13.9181 7.45532 14.2471 numMergedOcc 0
7 mol 45 unq 0 iso 0 dist 9.53378 5.54436 5.55096 5.46116 8.80014 4.52443 numMergedOcc 0
8 mol 58 unq 0 iso 0 dist 8.80614 13.9007 7.6481 10.4524 6.62229 5.36808 numMergedOcc 0
9 mol 58 unq 1 iso 0 dist 8.80614 6.47744 9.11258 10.4524 6.62229 9.17656 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 9.24757 7.41074 7.10439 8.26458 6.48232 11.2505 numMergedOcc 0
11 mol 85 unq 0 iso 0 dist 9.82915 15.8792 6.05495 6.37974 8.70863 13.7907 numMergedOcc 0
12 mol 98 unq 0 iso 0 dist 6.7117 8.70415 6.0129 7.32662 8.43352 13.6622 numMergedOcc 0
13 mol 98 unq 1 iso 0 dist 4.47349 10.0962 6.0129 6.934 8.43352 13.6622 numMergedOcc 0
14 mol 98 unq 2 iso 0 dist 5.65185 11.2452 6.0129 7.17433 8.43352 13.6622 numMergedOcc 0
15 mol 114 unq 0 iso 0 dist 6.84011 5.31367 8.809 11.177 9.17466 7.70536 numMergedOcc 0
16 mol 114 unq 1 iso 0 dist 6.84011 8.88748 5.79343 11.177 9.17466 4.69847 numMergedOcc 0
17 mol 126 unq 0 iso 0 dist 6.30546 7.01257 7.36017 5.5703 5.94233 5.83002 numMergedOcc 0
18 mol 126 unq 1 iso 0 dist 6.29233 5.15767 5.14819 9.71711 8.56219 5.83002 numMergedOcc 0
19 mol 130 unq 0 iso 0 dist 9.72053 6.01663 6.90634 6.24241 8.91311 9.52351 numMergedOcc 0
20 mol 130 unq 1 iso 0 dist 7.7949 12.8559 6.90634 11.6508 8.91311 9.52351 numMergedOcc 0
21 mol 131 unq 0 iso 0 dist 8.70296 7.90484 9.2235 7.73656 6.48674 5.57913 numMergedOcc 0
22 mol 134 unq 0 iso 0 dist 7.69991 6.69989 8.55616 13.1292 9.30061 8.05714 numMergedOcc 0
23 mol 134 unq 1 iso 0 dist 7.69991 10.1448 8.73604 13.1292 9.30061 9.65798 numMergedOcc 0
24 mol 134 unq 2 iso 0 dist 6.23142 5.3585 8.55616 9.4027 9.30061 8.05714 numMergedOcc 0
25 mol 134 unq 3 iso 0 dist 6.23142 5.41704 8.73604 9.4027 9.30061 9.65798 numMergedOcc 0
26 mol 134 unq 4 iso 0 dist 9.94764 6.74887 8.55616 5.12325 9.30061 8.05714 numMergedOcc 0
27 mol 134 unq 5 iso 0 dist 9.94764 6.17103 8.73604 5.12325 9.30061 9.65798 numMergedOcc 0
28 mol 135 unq 0 iso 0 dist 5.62052 4.91422 9.15377 5.66293 9.40325 9.3453 numMergedOcc 0
29 mol 135 unq 1 iso 0 dist 5.62052 4.91422 9.15377 7.79226 8.25527 5.7001 numMergedOcc 0
30 mol 135 unq 2 iso 0 dist 5.62052 4.91422 9.15377 13.2293 8.83856 14.2456 numMergedOcc 0
31 mol 135 unq 3 iso 0 dist 7.90563 7.66205 7.12936 5.66293 7.62606 6.50383 numMergedOcc 0
32 mol 135 unq 4 iso 0 dist 7.85645 6.35261 9.15377 10.1275 9.40325 9.3453 numMergedOcc 0
33 mol 135 unq 5 iso 0 dist 7.85645 6.35261 9.15377 6.99298 8.25527 5.7001 numMergedOcc 0
34 mol 135 unq 6 iso 0 dist 7.85645 6.35261 9.15377 12.8689 8.83856 14.2456 numMergedOcc 0
35 mol 135 unq 7 iso 0 dist 8.97655 6.69568 7.12936 10.1275 7.62606 6.50383 numMergedOcc 0
36 mol 141 unq 0 iso 0 dist 8.10291 10.5489 4.25566 11.2667 9.78667 11.1956 numMergedOcc 0
37 mol 141 unq 1 iso 0 dist 8.10291 10.5489 4.25566 7.52924 8.47026 9.65952 numMergedOcc 0
38 mol 141 unq 2 iso 0 dist 8.10291 6.71391 6.63171 11.2667 9.78667 14.6024 numMergedOcc 0
39 mol 141 unq 3 iso 0 dist 8.10291 6.71391 6.63171 7.52924 8.47026 11.3036 numMergedOcc 0
40 mol 141 unq 4 iso 0 dist 8.10291 6.6258 7.67273 11.2667 9.78667 11.2383 numMergedOcc 0
41 mol 141 unq 5 iso 0 dist 8.10291 6.6258 7.67273 7.52924 8.47026 7.19116 numMergedOcc 0
42 mol 156 unq 0 iso 0 dist 9.00416 8.31653 6.05323 12.962 7.46845 5.33988 numMergedOcc 0
43 mol 175 unq 0 iso 0 dist 9.77896 7.5414 5.4997 11.3554 5.89564 5.95187 numMergedOcc 0
44 mol 226 unq 0 iso 0 dist 9.83827 8.77858 8.1931 5.96825 6.37744 5.61577 numMergedOcc 0
45 mol 232 unq 0 iso 0 dist 8.50102 8.78722 7.17337 5.8023 6.57921 7.0877 numMergedOcc 0
46 mol 232 unq 1 iso 0 dist 9.40808 13.5597 7.17337 8.25884 6.57921 7.0877 numMergedOcc 0
47 mol 237 unq 0 iso 0 dist 7.41478 6.56344 5.98039 5.65087 6.07878 9.38038 numMergedOcc 0
48 mol 237 unq 1 iso 0 dist 9.16003 13.7089 9.27395 7.80935 9.54499 7.48464 numMergedOcc 0
49 mol 237 unq 2 iso 0 dist 9.16003 13.7089 9.27395 5.51666 5.6703 8.97735 numMergedOcc 0
50 mol 237 unq 3 iso 0 dist 6.99315 10.1861 7.55103 6.01573 6.11495 5.5902 numMergedOcc 0
51 mol 237 unq 4 iso 0 dist 6.99315 10.1861 7.55103 15.2418 9.36216 7.48464 numMergedOcc 0
52 mol 237 unq 5 iso 0 dist 6.99315 10.1861 7.55103 15.1884 8.72819 8.97735 numMergedOcc 0
53 mol 237 unq 6 iso 0 dist 9.60163 9.10323 7.55103 9.59927 6.11495 5.5902 numMergedOcc 0
54 mol 237 unq 7 iso 0 dist 9.60163 9.10323 7.55103 5.12181 9.36216 7.48464 numMergedOcc 0
55 mol 237 unq 8 iso 0 dist 9.60163 9.10323 7.55103 9.52569 8.72819 8.97735 numMergedOcc 0
56 mol 243 unq 0 iso 0 dist 7.49645 5.70464 7.12785 11.3773 7.44706 8.16841 numMergedOcc 0
57 mol 243 unq 1 iso 0 dist 7.49645 7.83758 6.66959 11.3773 7.44706 6.03041 numMergedOcc 0
58 mol 243 unq 2 iso 0 dist 9.9222 10.3961 7.12785 13.3907 7.44706 8.16841 numMergedOcc 0
59 mol 243 unq 3 iso 0 dist 9.9222 7.8399 6.66959 13.3907 7.44706 6.03041 numMergedOcc 0
60 mol 265 unq 0 iso 0 dist 6.71375 4.65134 5.40318 7.4402 8.85062 7.10449 numMergedOcc 0
