0 mol 11 unq 0 iso 0 dist 9.64228 9.09133 6.55715 7.95375 8.21795 10.5476 numMergedOcc 0
1 mol 18 unq 0 iso 0 dist 8.81762 8.95573 4.71158 8.1366 16.6589 16.833 numMergedOcc 0
2 mol 18 unq 1 iso 0 dist 5.32149 8.95573 8.70343 8.1366 10.8911 16.833 numMergedOcc 0
3 mol 34 unq 0 iso 0 dist 8.36524 5.73257 8.90278 6.20159 13.7039 7.48759 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 6.84521 7.84444 8.01951 9.92963 15.4121 10.0341 numMergedOcc 0
5 mol 43 unq 1 iso 0 dist 6.84521 7.84444 8.01951 8.07389 8.42544 11.7792 numMergedOcc 0
6 mol 43 unq 2 iso 0 dist 8.90024 7.84444 12.2025 9.92963 18.4575 10.0341 numMergedOcc 0
7 mol 43 unq 3 iso 0 dist 8.90024 7.84444 12.2025 8.07389 6.09486 11.7792 numMergedOcc 0
8 mol 43 unq 4 iso 0 dist 6.78532 7.84444 7.68348 9.92963 13.9259 10.0341 numMergedOcc 0
9 mol 43 unq 5 iso 0 dist 6.78532 7.84444 7.68348 8.07389 4.40385 11.7792 numMergedOcc 0
10 mol 70 unq 0 iso 0 dist 6.77833 8.06918 6.65811 9.54062 10.1702 13.9104 numMergedOcc 0
11 mol 70 unq 1 iso 0 dist 6.77833 7.52623 5.47516 9.54062 10.1702 14.6351 numMergedOcc 0
12 mol 70 unq 2 iso 0 dist 6.77833 5.62294 11.0952 9.54062 10.1702 10.3843 numMergedOcc 0
13 mol 92 unq 0 iso 0 dist 9.96446 9.62702 10.9381 7.69672 12.6706 4.07654 numMergedOcc 0
14 mol 92 unq 1 iso 0 dist 9.96446 6.97484 12.1976 7.69672 12.6706 9.51614 numMergedOcc 0
15 mol 92 unq 2 iso 0 dist 6.70686 9.62702 7.17408 7.69672 8.52106 4.07654 numMergedOcc 0
16 mol 92 unq 3 iso 0 dist 6.70686 6.97484 10.944 7.69672 8.52106 9.51614 numMergedOcc 0
17 mol 120 unq 0 iso 0 dist 5.06555 9.68343 8.94259 6.21509 4.98499 12.0681 numMergedOcc 0
18 mol 154 unq 0 iso 0 dist 6.44195 5.81632 5.83431 5.7306 4.66975 8.54747 numMergedOcc 0
19 mol 154 unq 1 iso 0 dist 7.34207 5.81632 6.53652 5.7306 9.20471 8.54747 numMergedOcc 0
20 mol 167 unq 0 iso 0 dist 7.9895 9.4422 6.06723 7.71402 7.45933 4.34476 numMergedOcc 0
21 mol 167 unq 1 iso 0 dist 7.9895 9.4422 6.06723 4.74768 8.42327 11.0292 numMergedOcc 0
22 mol 167 unq 2 iso 0 dist 6.53913 9.4422 6.58937 7.71402 6.38496 4.34476 numMergedOcc 0
23 mol 167 unq 3 iso 0 dist 6.53913 9.4422 6.58937 4.74768 8.09332 11.0292 numMergedOcc 0
24 mol 205 unq 0 iso 0 dist 9.25882 6.37411 12.1001 6.254 6.16939 6.30764 numMergedOcc 0
25 mol 206 unq 0 iso 0 dist 5.82039 8.65687 4.8585 9.1579 6.13816 5.27054 numMergedOcc 0
26 mol 206 unq 1 iso 0 dist 6.22964 8.65687 5.94313 9.1579 9.20417 5.27054 numMergedOcc 0
27 mol 266 unq 0 iso 0 dist 6.95233 9.15288 4.27792 9.85095 5.60582 4.21036 numMergedOcc 0
28 mol 266 unq 1 iso 0 dist 6.95233 9.15288 4.27792 8.25191 10.3169 14.1747 numMergedOcc 0
29 mol 266 unq 2 iso 0 dist 6.95233 9.15288 4.27792 7.35056 9.69688 13.7096 numMergedOcc 0
30 mol 266 unq 3 iso 0 dist 6.95233 6.11795 11.5523 9.85095 5.60582 15.6867 numMergedOcc 0
31 mol 266 unq 4 iso 0 dist 6.95233 6.11795 11.5523 8.25191 10.3169 9.43694 numMergedOcc 0
32 mol 266 unq 5 iso 0 dist 6.95233 6.11795 11.5523 7.35056 9.69688 6.70962 numMergedOcc 0
33 mol 266 unq 6 iso 0 dist 9.61741 9.15288 14.2479 9.85095 17.1864 4.21036 numMergedOcc 0
34 mol 266 unq 7 iso 0 dist 9.61741 9.15288 14.2479 8.25191 15.5379 14.1747 numMergedOcc 0
35 mol 266 unq 8 iso 0 dist 9.61741 9.15288 14.2479 7.35056 12.4229 13.7096 numMergedOcc 0
36 mol 266 unq 9 iso 0 dist 9.61741 6.11795 6.98866 9.85095 17.1864 15.6867 numMergedOcc 0
37 mol 266 unq 10 iso 0 dist 9.61741 6.11795 6.98866 8.25191 15.5379 9.43694 numMergedOcc 0
38 mol 266 unq 11 iso 0 dist 9.61741 6.11795 6.98866 7.35056 12.4229 6.70962 numMergedOcc 0
39 mol 266 unq 12 iso 0 dist 5.61056 9.15288 10.5058 9.85095 12.5903 4.21036 numMergedOcc 0
40 mol 266 unq 13 iso 0 dist 5.61056 9.15288 10.5058 8.25191 9.37668 14.1747 numMergedOcc 0
41 mol 266 unq 14 iso 0 dist 5.61056 9.15288 10.5058 7.35056 6.29234 13.7096 numMergedOcc 0
42 mol 266 unq 15 iso 0 dist 5.61056 6.11795 5.19574 9.85095 12.5903 15.6867 numMergedOcc 0
43 mol 266 unq 16 iso 0 dist 5.61056 6.11795 5.19574 8.25191 9.37668 9.43694 numMergedOcc 0
44 mol 266 unq 17 iso 0 dist 5.61056 6.11795 5.19574 7.35056 6.29234 6.70962 numMergedOcc 0
45 mol 273 unq 0 iso 0 dist 9.79022 9.93542 7.00883 8.20612 4.01113 9.08 numMergedOcc 0
46 mol 277 unq 0 iso 0 dist 9.38793 9.28545 17.5025 7.89017 13.9139 6.90812 numMergedOcc 0
47 mol 280 unq 0 iso 0 dist 6.52188 6.78323 6.24406 8.89904 9.89602 6.07839 numMergedOcc 0
