0 mol 28 unq 0 iso 0 dist 7.2551 8.66738 11.4558 9.10555 12.7132 8.95154 numMergedOcc 0
1 mol 32 unq 0 iso 0 dist 7.29783 8.70331 5.33785 14.036 13.8141 8.91596 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 7.69222 4.8983 11.9118 4.30874 8.62198 7.37171 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 7.69222 4.8983 11.9118 6.97502 6.45841 8.62079 numMergedOcc 0
4 mol 73 unq 2 iso 0 dist 5.82056 4.8983 10.0644 4.30874 5.5087 7.37171 numMergedOcc 0
5 mol 73 unq 3 iso 0 dist 5.82056 4.8983 10.0644 6.97502 5.61588 8.62079 numMergedOcc 0
6 mol 73 unq 4 iso 0 dist 9.09115 4.8983 12.1501 4.30874 6.08682 7.37171 numMergedOcc 0
7 mol 73 unq 5 iso 0 dist 9.09115 4.8983 12.1501 6.97502 7.83244 8.62079 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 6.97936 5.91098 3.35924 10.2219 9.76346 7.61521 numMergedOcc 0
9 mol 76 unq 1 iso 0 dist 5.00466 4.86523 3.35924 7.74851 9.76346 7.61521 numMergedOcc 0
10 mol 85 unq 0 iso 0 dist 8.52436 9.43839 14.4719 14.4751 18.8109 7.69926 numMergedOcc 0
11 mol 107 unq 0 iso 0 dist 9.68222 7.2168 5.88785 13.5052 14.5329 9.45682 numMergedOcc 0
12 mol 107 unq 1 iso 0 dist 8.28321 7.2168 8.55732 13.5052 10.3757 9.45682 numMergedOcc 0
13 mol 126 unq 0 iso 0 dist 9.93116 5.78493 9.465 4.57807 14.4059 8.2777 numMergedOcc 0
14 mol 129 unq 0 iso 0 dist 9.31543 4.4077 9.74071 4.80675 6.69691 7.97548 numMergedOcc 0
15 mol 129 unq 1 iso 0 dist 9.31543 4.4077 9.74071 5.57362 10.5979 9.9291 numMergedOcc 0
16 mol 129 unq 2 iso 0 dist 9.31543 4.4077 9.74071 7.01358 15.3611 7.32151 numMergedOcc 0
17 mol 129 unq 3 iso 0 dist 9.31543 8.4874 6.92699 4.80675 6.69691 9.64164 numMergedOcc 0
18 mol 129 unq 4 iso 0 dist 8.85652 4.4077 9.87781 4.80675 5.51197 7.97548 numMergedOcc 0
19 mol 129 unq 5 iso 0 dist 8.85652 4.4077 9.87781 5.57362 9.97604 9.9291 numMergedOcc 0
20 mol 129 unq 6 iso 0 dist 8.85652 4.4077 9.87781 7.01358 12.8996 7.32151 numMergedOcc 0
21 mol 129 unq 7 iso 0 dist 8.85652 8.4874 9.93375 4.80675 5.51197 9.64164 numMergedOcc 0
22 mol 152 unq 0 iso 0 dist 9.17216 6.68265 5.12696 6.62991 6.59889 7.55934 numMergedOcc 0
23 mol 152 unq 1 iso 0 dist 9.40483 7.78842 5.12696 7.17016 6.59889 7.55934 numMergedOcc 0
24 mol 152 unq 2 iso 0 dist 9.44172 6.68265 6.04238 6.62991 8.9192 7.55934 numMergedOcc 0
25 mol 186 unq 0 iso 0 dist 6.49577 4.79423 3.60793 8.24478 8.73533 5.90765 numMergedOcc 0
26 mol 205 unq 0 iso 0 dist 5.63283 8.83628 8.93955 14.3203 14.2129 9.31158 numMergedOcc 0
27 mol 214 unq 0 iso 0 dist 8.44407 9.46274 15.9748 14.5108 19.873 9.06459 numMergedOcc 0
28 mol 214 unq 1 iso 0 dist 6.0155 9.46274 10.9698 14.5108 13.9627 9.06459 numMergedOcc 0
29 mol 214 unq 2 iso 0 dist 8.89981 9.46274 5.22858 14.5108 13.7978 9.06459 numMergedOcc 0
30 mol 251 unq 0 iso 0 dist 5.62261 6.06154 5.79539 6.33949 7.39775 8.45764 numMergedOcc 0
31 mol 251 unq 1 iso 0 dist 8.07576 8.15014 3.45567 7.54315 6.50357 8.45764 numMergedOcc 0
32 mol 251 unq 2 iso 0 dist 6.17824 6.06154 3.45567 6.33949 6.50357 8.45764 numMergedOcc 0
33 mol 266 unq 0 iso 0 dist 7.97711 6.38519 5.95721 13.8919 14.7378 9.29666 numMergedOcc 0
34 mol 277 unq 0 iso 0 dist 9.91103 4.1545 5.9732 10.4297 5.46926 7.42932 numMergedOcc 0
35 mol 277 unq 1 iso 0 dist 9.91103 4.1545 5.9732 5.77904 8.9682 4.9764 numMergedOcc 0
36 mol 277 unq 2 iso 0 dist 9.91103 4.25172 8.61922 5.77904 8.9682 6.36559 numMergedOcc 0
37 mol 277 unq 3 iso 0 dist 7.0603 4.1545 3.79766 10.4297 5.13913 7.42932 numMergedOcc 0
38 mol 277 unq 4 iso 0 dist 7.0603 4.1545 3.79766 5.77904 6.92711 4.9764 numMergedOcc 0
39 mol 277 unq 5 iso 0 dist 7.0603 4.25172 7.07613 5.77904 6.92711 6.36559 numMergedOcc 0
40 mol 283 unq 0 iso 0 dist 7.18295 5.38739 3.08947 6.41403 11.8288 9.07995 numMergedOcc 0
41 mol 285 unq 0 iso 0 dist 5.49829 7.08681 8.34667 9.237 12.3855 5.03601 numMergedOcc 0
42 mol 285 unq 1 iso 0 dist 6.24134 7.08681 4.98469 9.237 7.80862 5.03601 numMergedOcc 0
43 mol 287 unq 0 iso 0 dist 6.06665 8.73403 8.63376 5.10722 10.85 9.76232 numMergedOcc 0
44 mol 288 unq 0 iso 0 dist 6.06665 8.73403 8.63376 5.10722 10.85 9.76232 numMergedOcc 0
45 mol 289 unq 0 iso 0 dist 6.06665 8.73403 8.63376 5.10722 10.85 9.76232 numMergedOcc 0
