0 mol 6 unq 0 iso 0 dist 9.0451 11.2284 7.54484 15.5626 7.50895 8.31647 numMergedOcc 0
1 mol 6 unq 1 iso 0 dist 7.12528 13.9971 7.54484 11.1204 7.50895 8.31647 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 5.41774 9.90363 7.78899 9.14072 4.55422 5.06188 numMergedOcc 0
3 mol 53 unq 0 iso 0 dist 9.33236 6.76039 9.73556 9.09831 6.98415 6.70095 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 6.63973 7.7047 6.14248 7.41861 6.1999 5.73235 numMergedOcc 0
5 mol 76 unq 1 iso 0 dist 6.63973 4.00834 6.97936 7.41861 6.1999 7.48127 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 7.34638 12.2811 6.84952 13.7168 6.40382 6.30896 numMergedOcc 0
7 mol 98 unq 1 iso 0 dist 6.0995 12.1911 6.84952 12.1364 6.40382 6.30896 numMergedOcc 0
8 mol 129 unq 0 iso 0 dist 6.53559 11.236 8.85652 12.2004 6.31483 7.6453 numMergedOcc 0
9 mol 129 unq 1 iso 0 dist 8.09774 5.0466 8.85652 6.65878 6.31483 7.6453 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 9.76097 5.57746 5.9959 11.9103 4.85121 9.2759 numMergedOcc 0
11 mol 134 unq 0 iso 0 dist 9.13697 8.22726 5.20195 15.9043 7.45747 9.88178 numMergedOcc 0
12 mol 139 unq 0 iso 0 dist 7.02063 5.61614 6.79625 9.71665 3.82037 9.70154 numMergedOcc 0
13 mol 139 unq 1 iso 0 dist 7.02063 4.94393 7.20542 9.71665 3.82037 8.78382 numMergedOcc 0
14 mol 168 unq 0 iso 0 dist 8.53936 5.21399 5.03696 12.7519 11.109 8.72323 numMergedOcc 0
15 mol 171 unq 0 iso 0 dist 6.51523 5.24208 9.67711 10.0089 10.9652 6.19457 numMergedOcc 0
16 mol 192 unq 0 iso 0 dist 7.93715 4.65303 5.77035 5.21088 6.62595 7.36571 numMergedOcc 0
17 mol 192 unq 1 iso 0 dist 7.93715 4.65303 5.77035 12.3136 9.6618 9.80122 numMergedOcc 0
18 mol 192 unq 2 iso 0 dist 7.93715 4.65303 5.77035 8.25609 12.1003 9.17137 numMergedOcc 0
19 mol 205 unq 0 iso 0 dist 8.69512 7.47443 5.63283 10.6964 4.7106 4.81837 numMergedOcc 0
20 mol 205 unq 1 iso 0 dist 8.69512 7.47443 5.63283 5.47586 10.4922 6.43519 numMergedOcc 0
21 mol 225 unq 0 iso 0 dist 7.25438 10.6852 7.50697 18.2483 13.6563 7.65121 numMergedOcc 0
22 mol 239 unq 0 iso 0 dist 7.96523 6.54316 7.98794 4.53228 7.26668 7.58554 numMergedOcc 0
23 mol 259 unq 0 iso 0 dist 4.95855 6.92619 8.40328 11.0717 11.0103 8.54422 numMergedOcc 0
24 mol 259 unq 1 iso 0 dist 4.95855 6.92619 8.40328 10.5924 8.71577 7.67473 numMergedOcc 0
25 mol 259 unq 2 iso 0 dist 7.72489 6.92619 8.2518 11.0717 10.099 8.54422 numMergedOcc 0
26 mol 259 unq 3 iso 0 dist 7.72489 6.92619 8.2518 10.5924 6.47425 7.67473 numMergedOcc 0
27 mol 273 unq 0 iso 0 dist 8.89714 15.6015 6.95569 21.3713 12.7125 5.78262 numMergedOcc 0
28 mol 273 unq 1 iso 0 dist 8.89714 15.6015 6.95569 19.1783 10.8576 7.6489 numMergedOcc 0
29 mol 285 unq 0 iso 0 dist 5.09181 6.37482 6.24134 13.5396 11.5704 7.872 numMergedOcc 0
30 mol 285 unq 1 iso 0 dist 5.09181 6.37482 6.24134 7.38536 4.4744 6.32984 numMergedOcc 0
