0 mol 5 unq 0 iso 0 dist 8.70824 5.2392 11.3755 4.42081 8.97274 9.22027 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 5.93404 5.2392 5.90479 4.42081 7.5815 9.22027 numMergedOcc 0
2 mol 41 unq 0 iso 0 dist 6.51139 8.0072 9.28138 8.79418 6.35506 14.4978 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 9.14072 5.41774 4.55422 12.5909 8.3491 11.0597 numMergedOcc 0
4 mol 53 unq 0 iso 0 dist 9.09831 9.33236 6.98415 6.82319 8.56916 13.0995 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 5.55798 8.59739 5.71097 4.95654 7.82966 12.4485 numMergedOcc 0
6 mol 79 unq 1 iso 0 dist 5.55798 8.59739 5.71097 10.0025 8.26763 13.629 numMergedOcc 0
7 mol 79 unq 2 iso 0 dist 5.55798 8.59739 5.71097 6.35003 6.30814 10.0103 numMergedOcc 0
8 mol 79 unq 3 iso 0 dist 5.55798 8.59739 5.71097 3.45432 7.318 8.51259 numMergedOcc 0
9 mol 115 unq 0 iso 0 dist 5.73946 6.31773 5.34438 5.33827 7.84768 10.9431 numMergedOcc 0
10 mol 169 unq 0 iso 0 dist 6.09291 6.00783 7.58935 6.22697 7.06772 11.3821 numMergedOcc 0
11 mol 169 unq 1 iso 0 dist 9.90583 8.54444 6.49048 7.82714 7.06772 11.117 numMergedOcc 0
12 mol 192 unq 0 iso 0 dist 5.21088 7.93715 6.62595 3.81315 7.75405 11.6201 numMergedOcc 0
13 mol 192 unq 1 iso 0 dist 8.25609 7.93715 12.1003 3.81315 7.49971 11.6201 numMergedOcc 0
14 mol 192 unq 2 iso 0 dist 8.25609 7.93715 12.1003 9.53633 9.07427 14.8237 numMergedOcc 0
15 mol 195 unq 0 iso 0 dist 9.35664 9.48766 6.04748 14.1853 9.20541 14.0891 numMergedOcc 0
16 mol 195 unq 1 iso 0 dist 9.35664 9.48766 6.04748 6.61517 6.65077 6.396 numMergedOcc 0
17 mol 205 unq 0 iso 0 dist 8.47833 6.41148 10.1222 6.10058 7.53734 5.03818 numMergedOcc 0
18 mol 205 unq 1 iso 0 dist 5.05912 6.41148 9.99561 6.10058 9.79826 5.03818 numMergedOcc 0
19 mol 205 unq 2 iso 0 dist 5.47586 5.06713 10.1222 3.50446 7.53734 5.03818 numMergedOcc 0
20 mol 205 unq 3 iso 0 dist 5.47586 8.69512 10.4922 3.50446 7.53734 6.40171 numMergedOcc 0
21 mol 205 unq 4 iso 0 dist 6.60429 5.06713 9.99561 3.50446 9.79826 5.03818 numMergedOcc 0
22 mol 205 unq 5 iso 0 dist 6.60429 8.69512 15.2328 3.50446 9.79826 6.40171 numMergedOcc 0
23 mol 222 unq 0 iso 0 dist 4.87053 8.86886 6.4817 4.91709 7.99441 8.14294 numMergedOcc 0
24 mol 222 unq 1 iso 0 dist 4.87053 8.86886 6.4817 5.96186 6.71817 5.72 numMergedOcc 0
25 mol 222 unq 2 iso 0 dist 4.87053 8.86886 6.4817 9.55743 8.41524 6.84052 numMergedOcc 0
26 mol 233 unq 0 iso 0 dist 7.20629 8.84037 3.80398 3.85716 8.93995 10.556 numMergedOcc 0
27 mol 233 unq 1 iso 0 dist 6.5622 8.84037 5.62929 3.85716 9.97397 10.556 numMergedOcc 0
28 mol 233 unq 2 iso 0 dist 9.44671 5.76164 7.87864 13.5179 8.93995 15.1486 numMergedOcc 0
29 mol 238 unq 0 iso 0 dist 5.83514 6.96382 4.70535 3.68226 5.52788 4.66186 numMergedOcc 0
30 mol 283 unq 0 iso 0 dist 5.90728 8.4275 5.55396 5.14231 5.32876 9.97688 numMergedOcc 0
31 mol 283 unq 1 iso 0 dist 5.90728 8.4275 5.55396 4.25884 7.60296 10.9622 numMergedOcc 0
