0 mol 11 unq 0 iso 0 dist 5.95165 3.77561 4.61088 10.5071 8.68293 7.28643 9.80646 6.84216 9.68636 14.8738 numMergedOcc 0
1 mol 11 unq 0 iso 1 dist 5.95165 3.77561 4.61088 9.80646 6.84216 9.68636 10.5071 8.68293 7.28643 14.8738 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 9.7522 15.0931 8.34347 3.30063 7.98005 12.5438 8.44515 8.31381 8.39015 6.92384 numMergedOcc 0
3 mol 26 unq 0 iso 1 dist 9.7522 15.0931 8.34347 8.44515 8.31381 8.39015 3.30063 7.98005 12.5438 6.92384 numMergedOcc 0
4 mol 88 unq 0 iso 0 dist 9.72689 13.7794 9.36773 3.48087 9.07128 10.8406 10.0091 6.65615 4.47193 7.57886 numMergedOcc 0
5 mol 88 unq 0 iso 1 dist 9.72689 13.7794 9.36773 10.0091 6.65615 4.47193 3.48087 9.07128 10.8406 7.57886 numMergedOcc 0
6 mol 88 unq 1 iso 0 dist 7.74197 4.0486 9.36773 12.4888 9.07128 10.8406 6.15983 6.65615 4.47193 7.57886 numMergedOcc 0
7 mol 88 unq 1 iso 1 dist 7.74197 4.0486 9.36773 6.15983 6.65615 4.47193 12.4888 9.07128 10.8406 7.57886 numMergedOcc 0
8 mol 113 unq 0 iso 0 dist 8.89481 4.36935 5.86073 5.96967 7.02367 5.37655 7.52951 9.30832 5.46207 10.8127 numMergedOcc 0
9 mol 113 unq 0 iso 1 dist 8.89481 4.36935 5.86073 7.52951 9.30832 5.46207 5.96967 7.02367 5.37655 10.8127 numMergedOcc 0
10 mol 120 unq 0 iso 0 dist 7.04864 4.5543 8.75408 4.74539 6.42623 5.6295 11.4443 8.95899 8.97962 8.68088 numMergedOcc 0
11 mol 120 unq 0 iso 1 dist 7.04864 4.5543 8.75408 11.4443 8.95899 8.97962 4.74539 6.42623 5.6295 8.68088 numMergedOcc 0
12 mol 120 unq 1 iso 0 dist 7.04864 6.81949 6.44653 4.74539 6.42623 3.824 11.4443 8.95899 4.96885 8.68088 numMergedOcc 0
13 mol 120 unq 1 iso 1 dist 7.04864 6.81949 6.44653 11.4443 8.95899 4.96885 4.74539 6.42623 3.824 8.68088 numMergedOcc 0
14 mol 129 unq 0 iso 0 dist 9.28278 14.5776 8.54584 3.54691 7.97548 12.5321 5.56761 9.64164 11.3755 5.83342 numMergedOcc 0
15 mol 129 unq 0 iso 1 dist 9.28278 14.5776 8.54584 5.56761 9.64164 11.3755 3.54691 7.97548 12.5321 5.83342 numMergedOcc 0
16 mol 253 unq 0 iso 0 dist 8.91612 5.11865 6.73034 9.82989 8.94786 8.57513 10.2284 9.1927 6.0222 6.8233 numMergedOcc 0
17 mol 253 unq 0 iso 1 dist 8.91612 5.11865 6.73034 10.2284 9.1927 6.0222 9.82989 8.94786 8.57513 6.8233 numMergedOcc 0
18 mol 253 unq 1 iso 0 dist 8.91612 5.11865 6.73034 9.82989 8.94786 8.57513 9.31054 9.60694 6.93212 15.2509 numMergedOcc 0
19 mol 253 unq 1 iso 1 dist 8.91612 5.11865 6.73034 9.31054 9.60694 6.93212 9.82989 8.94786 8.57513 15.2509 numMergedOcc 0
20 mol 253 unq 2 iso 0 dist 8.91612 5.11865 6.73034 9.82989 8.94786 8.57513 13.0515 9.27311 10.2118 17.0369 numMergedOcc 0
21 mol 253 unq 2 iso 1 dist 8.91612 5.11865 6.73034 13.0515 9.27311 10.2118 9.82989 8.94786 8.57513 17.0369 numMergedOcc 0
22 mol 253 unq 1 iso 0 dist 8.91612 5.11865 6.73034 10.2284 9.1927 6.0222 9.31054 9.60694 6.93212 11.5519 numMergedOcc 0
23 mol 253 unq 1 iso 1 dist 8.91612 5.11865 6.73034 9.31054 9.60694 6.93212 10.2284 9.1927 6.0222 11.5519 numMergedOcc 0
24 mol 253 unq 2 iso 0 dist 8.91612 5.11865 6.73034 10.2284 9.1927 6.0222 13.0515 9.27311 10.2118 13.6905 numMergedOcc 0
25 mol 253 unq 2 iso 1 dist 8.91612 5.11865 6.73034 13.0515 9.27311 10.2118 10.2284 9.1927 6.0222 13.6905 numMergedOcc 0
26 mol 253 unq 2 iso 0 dist 8.91612 5.11865 6.73034 9.31054 9.60694 6.93212 13.0515 9.27311 10.2118 5.35859 numMergedOcc 0
27 mol 253 unq 2 iso 1 dist 8.91612 5.11865 6.73034 13.0515 9.27311 10.2118 9.31054 9.60694 6.93212 5.35859 numMergedOcc 0
28 mol 259 unq 0 iso 0 dist 9.12507 5.59901 5.30224 10.6139 9.18798 5.96249 9.58753 8.25897 5.97386 4.6865 numMergedOcc 0
29 mol 259 unq 0 iso 1 dist 9.12507 5.59901 5.30224 9.58753 8.25897 5.97386 10.6139 9.18798 5.96249 4.6865 numMergedOcc 0
30 mol 277 unq 0 iso 0 dist 9.29635 10.8075 9.7748 7.31817 4.9764 11.8607 3.91224 6.36559 10.9137 3.41319 numMergedOcc 0
31 mol 277 unq 0 iso 1 dist 9.29635 10.8075 9.7748 3.91224 6.36559 10.9137 7.31817 4.9764 11.8607 3.41319 numMergedOcc 0
32 mol 292 unq 0 iso 0 dist 9.20416 5.26243 8.2734 3.64117 6.69619 4.02751 7.30677 4.49592 5.99797 3.75963 numMergedOcc 0
33 mol 292 unq 0 iso 1 dist 9.20416 5.26243 8.2734 7.30677 4.49592 5.99797 3.64117 6.69619 4.02751 3.75963 numMergedOcc 0
34 mol 292 unq 1 iso 0 dist 7.53641 5.58251 8.2734 6.97445 6.69619 4.02751 5.33412 4.49592 5.99797 3.75963 numMergedOcc 0
35 mol 292 unq 1 iso 1 dist 7.53641 5.58251 8.2734 5.33412 4.49592 5.99797 6.97445 6.69619 4.02751 3.75963 numMergedOcc 0
