0 mol 29 unq 0 iso 0 dist 7.71924 5.36278 8.02814 9.64034 13.6509 5.97852 6.69806 12.5461 8.53135 8.58191 numMergedOcc 0
1 mol 29 unq 1 iso 0 dist 7.71924 5.36278 8.02814 8.26334 4.98274 11.1943 6.69806 12.5461 8.53135 13.4548 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 7.02854 5.73235 5.22567 6.14248 8.66335 6.1999 10.2556 13.6767 9.26231 12.3818 numMergedOcc 0
3 mol 134 unq 0 iso 0 dist 7.85526 9.88178 6.01484 5.20195 4.77133 7.45747 15.6097 14.1149 8.15734 14.5842 numMergedOcc 0
4 mol 134 unq 1 iso 0 dist 7.85526 9.88178 6.01484 5.20195 4.77133 7.45747 5.57607 7.94564 6.00896 6.41759 numMergedOcc 0
5 mol 134 unq 2 iso 0 dist 5.33543 9.88178 10.6104 5.20195 4.56331 7.45747 15.6097 18.1155 8.15734 14.5842 numMergedOcc 0
6 mol 134 unq 3 iso 0 dist 5.33543 9.88178 10.6104 5.20195 4.56331 7.45747 5.57607 9.21999 6.00896 6.41759 numMergedOcc 0
7 mol 158 unq 0 iso 0 dist 7.07348 9.96635 10.9312 9.53944 8.38939 5.47558 17.5374 17.9783 8.95432 13.7686 numMergedOcc 0
8 mol 162 unq 0 iso 0 dist 8.954 6.59407 7.84996 6.51243 5.09521 3.95884 8.59214 14.4576 7.08934 10.4924 numMergedOcc 0
9 mol 162 unq 1 iso 0 dist 8.954 6.59407 7.84996 6.51243 5.09521 3.95884 7.46189 15.2359 9.43135 10.8803 numMergedOcc 0
10 mol 223 unq 0 iso 0 dist 9.29204 6.97426 4.73988 7.5808 11.3121 9.46802 4.68566 9.86372 7.96628 12.164 numMergedOcc 0
11 mol 223 unq 1 iso 0 dist 9.29204 8.87456 8.36102 7.5808 11.3121 13.1129 4.68566 9.86372 7.76053 12.164 numMergedOcc 0
12 mol 223 unq 2 iso 0 dist 9.29204 8.87456 8.36102 7.5808 11.3121 13.1129 11.1044 15.8519 9.65728 17.959 numMergedOcc 0
13 mol 223 unq 3 iso 0 dist 9.14789 6.97426 4.78255 7.5808 13.5418 9.46802 4.68566 7.70946 7.96628 12.164 numMergedOcc 0
14 mol 223 unq 4 iso 0 dist 9.14789 8.87456 5.43913 7.5808 13.5418 13.1129 4.68566 7.70946 7.76053 12.164 numMergedOcc 0
15 mol 223 unq 5 iso 0 dist 9.14789 8.87456 5.43913 7.5808 13.5418 13.1129 11.1044 12.2562 9.65728 17.959 numMergedOcc 0
16 mol 223 unq 6 iso 0 dist 7.80764 6.97426 12.6805 7.5808 7.74459 9.46802 4.68566 11.3699 7.96628 12.164 numMergedOcc 0
17 mol 223 unq 7 iso 0 dist 7.80764 8.87456 13.9763 7.5808 7.74459 13.1129 4.68566 11.3699 7.76053 12.164 numMergedOcc 0
18 mol 223 unq 8 iso 0 dist 7.80764 8.87456 13.9763 7.5808 7.74459 13.1129 11.1044 14.6013 9.65728 17.959 numMergedOcc 0
19 mol 223 unq 9 iso 0 dist 5.75896 6.97426 10.6184 7.5808 4.53638 9.46802 4.68566 10.1945 7.96628 12.164 numMergedOcc 0
20 mol 223 unq 10 iso 0 dist 5.75896 8.87456 13.8469 7.5808 4.53638 13.1129 4.68566 10.1945 7.76053 12.164 numMergedOcc 0
21 mol 223 unq 11 iso 0 dist 5.75896 8.87456 13.8469 7.5808 4.53638 13.1129 11.1044 16.5446 9.65728 17.959 numMergedOcc 0
22 mol 224 unq 0 iso 0 dist 7.47122 7.03925 4.49347 8.57781 3.56689 4.67513 6.1168 7.46044 5.07376 5.88041 numMergedOcc 0
23 mol 239 unq 0 iso 0 dist 9.59937 7.58554 5.94643 7.98794 3.80345 7.26668 8.46058 8.01565 7.10828 6.0567 numMergedOcc 0
24 mol 255 unq 0 iso 0 dist 9.72048 7.57779 9.92518 7.58813 9.02405 8.06922 12.1115 16.7161 7.16286 11.5041 numMergedOcc 0
25 mol 258 unq 0 iso 0 dist 6.08181 8.10903 10.8957 9.6327 6.49094 8.78474 5.79358 10.9114 8.73425 12.7887 numMergedOcc 0
26 mol 258 unq 1 iso 0 dist 6.08181 7.25618 11.0025 9.6327 6.49094 11.3267 5.79358 10.9114 9.65711 12.7887 numMergedOcc 0
27 mol 258 unq 2 iso 0 dist 7.70189 8.10903 5.27718 9.6327 8.08023 8.78474 5.79358 6.59521 8.73425 12.7887 numMergedOcc 0
28 mol 258 unq 3 iso 0 dist 7.70189 7.25618 9.46467 9.6327 8.08023 11.3267 5.79358 6.59521 9.65711 12.7887 numMergedOcc 0
29 mol 287 unq 0 iso 0 dist 8.0935 6.96774 10.4601 7.19568 7.23485 3.85958 7.43524 13.2902 9.84741 11.3875 numMergedOcc 0
30 mol 287 unq 1 iso 0 dist 8.0935 7.14859 8.13485 7.19568 7.23485 5.93557 14.0575 16.044 8.5458 14.0212 numMergedOcc 0
31 mol 287 unq 2 iso 0 dist 8.0935 7.14859 8.13485 7.19568 7.23485 5.93557 10.6005 15.8403 8.56533 12.9171 numMergedOcc 0
32 mol 288 unq 0 iso 0 dist 8.0935 6.96774 10.4601 7.19568 7.23485 3.85958 7.43524 13.2902 9.84741 11.3875 numMergedOcc 0
33 mol 288 unq 1 iso 0 dist 8.0935 7.14859 8.13485 7.19568 7.23485 5.93557 14.0575 16.044 8.5458 14.0212 numMergedOcc 0
34 mol 288 unq 2 iso 0 dist 8.0935 7.14859 8.13485 7.19568 7.23485 5.93557 10.6005 15.8403 8.56533 12.9171 numMergedOcc 0
35 mol 289 unq 0 iso 0 dist 8.0935 6.96774 10.4601 7.19568 7.23485 3.85958 7.43524 13.2902 9.84741 11.3875 numMergedOcc 0
36 mol 289 unq 1 iso 0 dist 8.0935 7.14859 8.13485 7.19568 7.23485 5.93557 14.0575 16.044 8.5458 14.0212 numMergedOcc 0
37 mol 289 unq 2 iso 0 dist 8.0935 7.14859 8.13485 7.19568 7.23485 5.93557 10.6005 15.8403 8.56533 12.9171 numMergedOcc 0
