0 mol 33 unq 0 iso 0 dist 8.41282 8.66089 9.1841 4.41045 10.5926 7.49744 numMergedOcc 0
1 mol 33 unq 1 iso 0 dist 8.41282 6.9181 10.6011 4.41045 10.5926 3.22951 numMergedOcc 0
2 mol 33 unq 2 iso 0 dist 8.41282 5.84349 11.7716 4.41045 10.5926 3.60218 numMergedOcc 0
3 mol 58 unq 0 iso 0 dist 8.98939 8.26586 6.0309 9.57292 10.3765 4.97562 numMergedOcc 0
4 mol 58 unq 1 iso 0 dist 8.98939 9.76234 11.5843 9.57292 10.3765 8.52877 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 8.64047 6.24296 12.7386 8.15861 14.1233 3.65186 numMergedOcc 0
6 mol 85 unq 1 iso 0 dist 8.64047 6.24296 12.7386 9.27814 4.06365 14.6387 numMergedOcc 0
7 mol 85 unq 2 iso 0 dist 8.64047 6.83218 14.1999 8.15861 14.1233 7.00044 numMergedOcc 0
8 mol 85 unq 3 iso 0 dist 8.64047 6.83218 14.1999 9.27814 4.06365 15.2529 numMergedOcc 0
9 mol 93 unq 0 iso 0 dist 8.21739 9.43355 4.97727 8.61597 10.1484 13.6138 numMergedOcc 0
10 mol 93 unq 1 iso 0 dist 8.21739 5.64141 5.77343 8.61597 10.1484 12.3588 numMergedOcc 0
11 mol 93 unq 2 iso 0 dist 8.21739 5.46186 11.0802 8.61597 10.1484 4.98621 numMergedOcc 0
12 mol 93 unq 3 iso 0 dist 4.78377 9.43355 13.8087 8.61597 10.2139 13.6138 numMergedOcc 0
13 mol 93 unq 4 iso 0 dist 4.78377 5.64141 9.96831 8.61597 10.2139 12.3588 numMergedOcc 0
14 mol 93 unq 5 iso 0 dist 4.78377 5.46186 5.33894 8.61597 10.2139 4.98621 numMergedOcc 0
15 mol 147 unq 0 iso 0 dist 7.01483 8.10157 12.5588 5.39386 9.33236 3.7729 numMergedOcc 0
16 mol 147 unq 1 iso 0 dist 7.01483 8.10157 12.5588 5.79819 9.20965 6.34165 numMergedOcc 0
17 mol 147 unq 2 iso 0 dist 7.01483 8.10157 12.5588 6.03024 4.60996 10.7999 numMergedOcc 0
18 mol 173 unq 0 iso 0 dist 9.476 5.82174 6.38538 9.31914 5.13914 8.19035 numMergedOcc 0
19 mol 173 unq 1 iso 0 dist 5.77288 5.82174 9.14584 9.31914 12.5538 8.19035 numMergedOcc 0
20 mol 218 unq 0 iso 0 dist 7.84953 5.4767 13.0451 6.46335 11.2216 5.42052 numMergedOcc 0
21 mol 218 unq 1 iso 0 dist 4.57726 5.4767 3.85314 6.46335 5.46009 5.42052 numMergedOcc 0
22 mol 239 unq 0 iso 0 dist 5.6619 6.58055 7.16787 7.45508 9.78814 3.13463 numMergedOcc 0
23 mol 239 unq 1 iso 0 dist 5.6619 6.58055 7.16787 5.79883 5.22417 11.0087 numMergedOcc 0
24 mol 287 unq 0 iso 0 dist 6.69569 9.98518 13.2109 8.15636 10.0855 16.9188 numMergedOcc 0
25 mol 287 unq 1 iso 0 dist 6.69569 9.98518 13.2109 7.86292 8.41058 12.935 numMergedOcc 0
26 mol 288 unq 0 iso 0 dist 6.69569 9.98518 13.2109 8.15636 10.0855 16.9188 numMergedOcc 0
27 mol 288 unq 1 iso 0 dist 6.69569 9.98518 13.2109 7.86292 8.41058 12.935 numMergedOcc 0
28 mol 289 unq 0 iso 0 dist 6.69569 9.98518 13.2109 8.15636 10.0855 16.9188 numMergedOcc 0
29 mol 289 unq 1 iso 0 dist 6.69569 9.98518 13.2109 7.86292 8.41058 12.935 numMergedOcc 0
