0 mol 53 unq 0 iso 0 dist 9.99188 13.4924 9.23241 11.1037 4.75776 5.78143 numMergedOcc 0
1 mol 55 unq 0 iso 0 dist 7.66306 4.19247 8.37544 10.957 6.13181 10.9801 numMergedOcc 0
2 mol 55 unq 1 iso 0 dist 7.66306 6.83997 4.92955 10.957 6.13181 5.85716 numMergedOcc 0
3 mol 90 unq 0 iso 0 dist 7.63894 4.14427 7.86269 6.23206 7.51138 7.25581 numMergedOcc 0
4 mol 90 unq 1 iso 0 dist 7.63894 4.14427 7.86269 12.753 9.86843 11.1561 numMergedOcc 0
5 mol 90 unq 2 iso 0 dist 7.63894 4.14427 7.86269 12.3706 6.86146 11.7919 numMergedOcc 0
6 mol 90 unq 3 iso 0 dist 7.63894 4.14427 7.86269 12.9414 8.83296 9.89859 numMergedOcc 0
7 mol 90 unq 4 iso 0 dist 6.17315 10.1669 7.86269 6.59471 7.51138 7.25581 numMergedOcc 0
8 mol 90 unq 5 iso 0 dist 6.17315 10.1669 7.86269 12.5885 9.86843 11.1561 numMergedOcc 0
9 mol 90 unq 6 iso 0 dist 6.17315 10.1669 7.86269 9.78924 6.86146 11.7919 numMergedOcc 0
10 mol 90 unq 7 iso 0 dist 6.17315 10.1669 7.86269 14.6058 8.83296 9.89859 numMergedOcc 0
11 mol 93 unq 0 iso 0 dist 7.46327 8.74935 8.42713 8.69953 5.51624 8.02579 numMergedOcc 0
12 mol 93 unq 1 iso 0 dist 7.46327 8.74935 8.42713 8.48621 7.8674 12.3147 numMergedOcc 0
13 mol 93 unq 2 iso 0 dist 7.46327 13.5058 8.21032 8.69953 5.51624 12.1011 numMergedOcc 0
14 mol 93 unq 3 iso 0 dist 7.46327 13.5058 8.21032 8.48621 7.8674 9.97789 numMergedOcc 0
15 mol 109 unq 0 iso 0 dist 6.20301 4.91384 7.49224 8.18162 5.46988 8.81106 numMergedOcc 0
16 mol 109 unq 1 iso 0 dist 6.20301 4.91384 7.49224 8.69165 9.92553 11.6623 numMergedOcc 0
17 mol 109 unq 2 iso 0 dist 9.97865 5.46367 8.78681 6.16181 5.46988 3.95956 numMergedOcc 0
18 mol 111 unq 0 iso 0 dist 5.61533 13.8529 9.82548 7.46433 8.77841 15.0098 numMergedOcc 0
19 mol 112 unq 0 iso 0 dist 9.13886 11.5393 7.98999 5.64926 9.74569 13.0525 numMergedOcc 0
20 mol 120 unq 0 iso 0 dist 8.26098 9.29912 9.07172 5.73872 7.63127 8.25036 numMergedOcc 0
21 mol 147 unq 0 iso 0 dist 9.60646 15.0837 6.4752 16.8694 9.23528 6.96543 numMergedOcc 0
22 mol 163 unq 0 iso 0 dist 7.67051 6.88414 5.80513 6.25864 7.3546 3.64474 numMergedOcc 0
23 mol 163 unq 1 iso 0 dist 9.07256 5.72937 9.3832 15.1824 7.3546 16.5085 numMergedOcc 0
24 mol 163 unq 2 iso 0 dist 9.07256 10.1929 6.0247 15.1824 7.3546 6.56076 numMergedOcc 0
25 mol 163 unq 3 iso 0 dist 9.07256 6.65976 6.40873 15.1824 7.3546 9.55758 numMergedOcc 0
26 mol 171 unq 0 iso 0 dist 8.2866 3.9821 6.69054 6.71449 9.75627 9.6968 numMergedOcc 0
27 mol 218 unq 0 iso 0 dist 4.57726 11.1524 9.6309 8.98232 9.06334 6.2347 numMergedOcc 0
28 mol 258 unq 0 iso 0 dist 8.82933 9.48658 8.78354 8.76033 6.47194 6.73942 numMergedOcc 0
29 mol 294 unq 0 iso 0 dist 4.37724 5.42154 9.2542 10.0048 7.41079 12.0758 numMergedOcc 0
