0 mol 5 unq 0 iso 0 dist 8.70824 4.91776 6.81899 4.42081 8.97274 6.28914 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 5.93404 4.91776 8.91509 4.42081 7.5815 6.28914 numMergedOcc 0
2 mol 29 unq 0 iso 0 dist 9.99467 5.28538 8.53135 8.03211 9.78134 11.2036 numMergedOcc 0
3 mol 32 unq 0 iso 0 dist 5.07106 4.85885 7.13608 5.22512 8.22628 4.62392 numMergedOcc 0
4 mol 32 unq 1 iso 0 dist 5.07106 4.85885 7.13608 8.93403 9.82819 12.1285 numMergedOcc 0
5 mol 32 unq 2 iso 0 dist 5.07106 9.43074 9.46895 5.22512 8.22628 11.4081 numMergedOcc 0
6 mol 32 unq 3 iso 0 dist 5.07106 9.43074 9.46895 8.93403 9.82819 4.56364 numMergedOcc 0
7 mol 43 unq 0 iso 0 dist 9.76585 14.0003 7.67459 4.89928 6.57633 9.50501 numMergedOcc 0
8 mol 48 unq 0 iso 0 dist 9.04514 7.35749 9.79657 12.2639 8.8645 9.60708 numMergedOcc 0
9 mol 83 unq 0 iso 0 dist 6.77845 5.83828 7.9309 11.6894 7.93119 7.89284 numMergedOcc 0
10 mol 83 unq 1 iso 0 dist 6.77845 5.83828 7.9309 6.51558 5.25361 9.76251 numMergedOcc 0
11 mol 83 unq 2 iso 0 dist 5.48555 7.62986 7.9309 10.6214 7.93119 7.89284 numMergedOcc 0
12 mol 83 unq 3 iso 0 dist 5.48555 7.62986 7.9309 9.07479 5.25361 9.76251 numMergedOcc 0
13 mol 83 unq 4 iso 0 dist 5.39805 3.52321 7.9309 6.23042 7.93119 7.89284 numMergedOcc 0
14 mol 83 unq 5 iso 0 dist 5.39805 3.52321 7.9309 7.0157 5.25361 9.76251 numMergedOcc 0
15 mol 112 unq 0 iso 0 dist 5.81553 4.49464 6.39026 3.82552 6.6536 7.12458 numMergedOcc 0
16 mol 128 unq 0 iso 0 dist 8.83811 6.41259 6.93718 5.32851 5.64587 5.50996 numMergedOcc 0
17 mol 130 unq 0 iso 0 dist 4.77515 7.96992 8.57816 5.40462 9.22973 6.12306 numMergedOcc 0
18 mol 133 unq 0 iso 0 dist 9.48694 10.8724 4.73804 17.5356 8.88752 7.15161 numMergedOcc 0
19 mol 133 unq 1 iso 0 dist 6.65267 6.70307 4.73804 3.84992 8.88752 7.15161 numMergedOcc 0
20 mol 152 unq 0 iso 0 dist 9.66811 6.72526 9.27341 9.69359 7.94976 10.2277 numMergedOcc 0
21 mol 155 unq 0 iso 0 dist 8.02356 6.16281 9.06599 5.05961 8.99128 10.541 numMergedOcc 0
22 mol 158 unq 0 iso 0 dist 8.80952 9.41162 8.95432 6.34731 7.68074 11.7299 numMergedOcc 0
23 mol 158 unq 1 iso 0 dist 8.80952 9.41162 8.95432 15.1374 9.1854 17.16 numMergedOcc 0
24 mol 172 unq 0 iso 0 dist 8.03804 8.4248 7.77643 6.10152 8.03455 5.96894 numMergedOcc 0
25 mol 172 unq 1 iso 0 dist 8.03804 8.74106 4.90175 6.10152 8.03455 9.2371 numMergedOcc 0
26 mol 186 unq 0 iso 0 dist 6.36789 9.85164 9.60838 9.03587 8.09915 13.1601 numMergedOcc 0
27 mol 205 unq 0 iso 0 dist 8.47833 9.61557 8.27071 6.10058 7.53734 5.23547 numMergedOcc 0
28 mol 205 unq 1 iso 0 dist 5.47586 7.43264 8.27071 3.50446 7.53734 5.23547 numMergedOcc 0
29 mol 222 unq 0 iso 0 dist 4.87053 6.45821 5.17916 4.91709 7.99441 7.60854 numMergedOcc 0
30 mol 222 unq 1 iso 0 dist 4.87053 6.45821 5.17916 5.96186 6.71817 5.13817 numMergedOcc 0
31 mol 222 unq 2 iso 0 dist 4.87053 6.45821 5.17916 9.55743 8.41524 4.54609 numMergedOcc 0
32 mol 225 unq 0 iso 0 dist 6.97662 5.60637 7.0412 9.92088 8.69052 13.5014 numMergedOcc 0
33 mol 238 unq 0 iso 0 dist 5.83514 5.12308 7.75366 3.68226 5.52788 4.48114 numMergedOcc 0
34 mol 271 unq 0 iso 0 dist 6.96986 5.03107 5.76281 4.45954 9.86908 7.4613 numMergedOcc 0
35 mol 283 unq 0 iso 0 dist 5.90728 7.50871 6.93798 5.14231 5.32876 5.83652 numMergedOcc 0
36 mol 283 unq 1 iso 0 dist 5.90728 7.50871 6.93798 4.25884 7.60296 5.99759 numMergedOcc 0
37 mol 287 unq 0 iso 0 dist 6.96248 10.5258 8.5458 11.9352 8.43856 4.53492 numMergedOcc 0
38 mol 287 unq 1 iso 0 dist 6.96248 5.45438 8.56533 11.9352 8.43856 9.26749 numMergedOcc 0
39 mol 288 unq 0 iso 0 dist 6.96248 10.5258 8.5458 11.9352 8.43856 4.53492 numMergedOcc 0
40 mol 288 unq 1 iso 0 dist 6.96248 5.45438 8.56533 11.9352 8.43856 9.26749 numMergedOcc 0
41 mol 289 unq 0 iso 0 dist 6.96248 10.5258 8.5458 11.9352 8.43856 4.53492 numMergedOcc 0
42 mol 289 unq 1 iso 0 dist 6.96248 5.45438 8.56533 11.9352 8.43856 9.26749 numMergedOcc 0
