0 mol 53 unq 0 iso 0 dist 5.40748 8.86892 8.79235 8.17272 7.28228 10.7201 numMergedOcc 0
1 mol 76 unq 0 iso 0 dist 6.63973 7.7047 6.14248 9.42791 8.23026 5.82267 numMergedOcc 0
2 mol 76 unq 1 iso 0 dist 6.63973 4.00834 6.97936 9.42791 8.23026 12.6179 numMergedOcc 0
3 mol 76 unq 2 iso 0 dist 6.63973 9.6911 5.00466 9.42791 8.23026 7.88072 numMergedOcc 0
4 mol 88 unq 0 iso 0 dist 9.44737 10.677 9.76849 4.88949 7.51139 6.06775 numMergedOcc 0
5 mol 88 unq 1 iso 0 dist 9.44737 10.677 9.76849 13.7888 7.80898 14.7449 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 7.34638 12.2811 6.84952 10.4417 7.02507 5.82029 numMergedOcc 0
7 mol 98 unq 1 iso 0 dist 6.0995 12.1911 6.84952 9.63267 7.02507 5.82029 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 6.31773 10.7419 8.86846 5.28901 6.04595 6.06198 numMergedOcc 0
9 mol 129 unq 0 iso 0 dist 6.53559 11.236 8.85652 6.43966 5.51197 4.80675 numMergedOcc 0
10 mol 129 unq 1 iso 0 dist 8.09774 5.0466 8.85652 5.56946 5.51197 4.80675 numMergedOcc 0
11 mol 130 unq 0 iso 0 dist 5.82945 7.43279 9.67398 3.96103 6.93139 7.09664 numMergedOcc 0
12 mol 130 unq 1 iso 0 dist 5.82945 9.91399 7.15213 3.96103 6.93139 7.49673 numMergedOcc 0
13 mol 139 unq 0 iso 0 dist 7.02063 5.61614 6.79625 5.30274 5.80789 8.16051 numMergedOcc 0
14 mol 139 unq 1 iso 0 dist 7.02063 4.94393 7.20542 5.30274 5.80789 4.78289 numMergedOcc 0
15 mol 144 unq 0 iso 0 dist 7.46026 10.8993 9.08956 4.6812 7.64028 9.4361 numMergedOcc 0
16 mol 146 unq 0 iso 0 dist 6.93154 11.6962 5.50187 5.44003 9.04757 12.8565 numMergedOcc 0
17 mol 155 unq 0 iso 0 dist 7.25009 7.64573 5.55218 10.4606 8.97626 13.8829 numMergedOcc 0
18 mol 225 unq 0 iso 0 dist 7.25438 10.6852 7.50697 9.20928 8.14831 6.89798 numMergedOcc 0
19 mol 238 unq 0 iso 0 dist 7.13727 6.31101 9.67281 6.45589 9.12776 7.01206 numMergedOcc 0
20 mol 238 unq 1 iso 0 dist 7.13727 6.31101 9.67281 12.521 9.72188 11.2453 numMergedOcc 0
21 mol 238 unq 2 iso 0 dist 8.56975 4.13744 9.67281 9.23693 9.12776 7.01206 numMergedOcc 0
22 mol 238 unq 3 iso 0 dist 8.56975 4.13744 9.67281 9.18011 9.72188 11.2453 numMergedOcc 0
23 mol 259 unq 0 iso 0 dist 4.95855 6.92619 8.40328 5.41945 5.85442 6.18571 numMergedOcc 0
24 mol 259 unq 1 iso 0 dist 4.95855 6.92619 8.40328 5.59901 6.9899 12.3834 numMergedOcc 0
25 mol 259 unq 2 iso 0 dist 7.72489 6.92619 8.2518 12.1767 9.46361 11.0067 numMergedOcc 0
26 mol 259 unq 3 iso 0 dist 7.72489 6.92619 8.2518 5.41945 6.95511 6.18571 numMergedOcc 0
27 mol 273 unq 0 iso 0 dist 8.89714 15.6015 6.95569 8.50795 6.31969 11.0966 numMergedOcc 0
28 mol 285 unq 0 iso 0 dist 5.09181 6.37482 6.24134 4.16039 7.80862 9.237 numMergedOcc 0
29 mol 292 unq 0 iso 0 dist 7.78796 11.5719 7.32002 6.94727 9.74118 10.9431 numMergedOcc 0
