0 mol 20 unq 0 iso 0 dist 8.63694 14.2782 9.78224 12.1928 9.39046 10.7399 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 8.63694 5.2323 7.57379 12.1928 9.39046 8.60765 numMergedOcc 0
2 mol 21 unq 0 iso 0 dist 5.0018 13.3153 9.42165 9.3814 7.39438 5.60021 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 9.36759 8.96444 9.97844 14.6904 9.07906 12.2338 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 9.36759 8.96444 9.97844 12.0121 8.75567 4.73635 numMergedOcc 0
5 mol 43 unq 2 iso 0 dist 5.0553 6.39942 9.97844 11.8429 9.07906 12.2338 numMergedOcc 0
6 mol 43 unq 3 iso 0 dist 5.0553 6.39942 9.97844 5.8542 8.75567 4.73635 numMergedOcc 0
7 mol 68 unq 0 iso 0 dist 9.00217 9.86454 9.23087 14.94 9.18809 8.66168 numMergedOcc 0
8 mol 91 unq 0 iso 0 dist 8.72121 10.4601 7.34465 7.35867 7.37948 8.45559 numMergedOcc 0
9 mol 120 unq 0 iso 0 dist 7.82186 5.47516 5.94417 5.74096 8.5457 4.72497 numMergedOcc 0
10 mol 120 unq 1 iso 0 dist 7.82186 5.47516 5.94417 8.58414 6.7928 7.00915 numMergedOcc 0
11 mol 120 unq 2 iso 0 dist 7.82186 5.47516 5.94417 12.5923 7.59189 10.878 numMergedOcc 0
12 mol 120 unq 3 iso 0 dist 5.85006 11.0725 5.94417 11.8343 8.5457 4.72497 numMergedOcc 0
13 mol 120 unq 4 iso 0 dist 5.85006 11.0725 5.94417 8.40633 6.7928 7.00915 numMergedOcc 0
14 mol 120 unq 5 iso 0 dist 5.85006 11.0725 5.94417 6.60352 7.59189 10.878 numMergedOcc 0
15 mol 125 unq 0 iso 0 dist 7.34506 7.34531 8.04452 5.72032 6.72613 4.94914 numMergedOcc 0
16 mol 127 unq 0 iso 0 dist 7.34368 9.81852 7.33646 10.345 8.82676 13.5588 numMergedOcc 0
17 mol 127 unq 1 iso 0 dist 7.34368 9.81852 7.33646 12.9049 8.17522 11.1351 numMergedOcc 0
18 mol 127 unq 2 iso 0 dist 7.34368 9.81852 7.33646 12.7518 8.14341 6.08871 numMergedOcc 0
19 mol 127 unq 3 iso 0 dist 7.34368 9.81852 7.33646 4.87509 6.54744 5.35462 numMergedOcc 0
20 mol 206 unq 0 iso 0 dist 5.99766 7.54538 5.71819 8.21044 9.62822 5.12592 numMergedOcc 0
21 mol 206 unq 1 iso 0 dist 5.99766 7.54538 5.71819 8.05113 7.03546 6.57154 numMergedOcc 0
22 mol 206 unq 2 iso 0 dist 5.99766 4.85877 8.48679 8.21044 9.62822 7.40413 numMergedOcc 0
23 mol 206 unq 3 iso 0 dist 5.99766 4.85877 8.48679 8.05113 7.03546 10.8658 numMergedOcc 0
24 mol 206 unq 4 iso 0 dist 5.99766 6.8664 9.86924 8.05113 7.03546 10.814 numMergedOcc 0
25 mol 206 unq 5 iso 0 dist 5.99766 6.8664 9.86924 8.21044 9.62822 13.9485 numMergedOcc 0
26 mol 206 unq 6 iso 0 dist 5.99766 8.77652 7.44186 8.05113 7.03546 9.0689 numMergedOcc 0
27 mol 206 unq 7 iso 0 dist 5.99766 8.77652 7.44186 8.21044 9.62822 14.4501 numMergedOcc 0
28 mol 210 unq 0 iso 0 dist 8.86708 6.24537 8.78286 7.52343 5.62219 5.93275 numMergedOcc 0
29 mol 210 unq 1 iso 0 dist 5.86875 13.3059 8.78286 8.99603 5.62219 5.93275 numMergedOcc 0
30 mol 281 unq 0 iso 0 dist 5.46236 11.1081 9.55134 5.81338 6.49441 5.71767 numMergedOcc 0
31 mol 283 unq 0 iso 0 dist 9.83528 10.8968 6.91284 7.42796 9.51557 5.46465 numMergedOcc 0
32 mol 283 unq 1 iso 0 dist 6.69313 8.99445 5.7378 11.2636 8.25636 5.91336 numMergedOcc 0
33 mol 283 unq 2 iso 0 dist 6.69313 5.06928 7.15632 11.2636 8.25636 12.4228 numMergedOcc 0
