0 mol 7 unq 0 iso 0 dist 6.36911 9.87885 7.92429 13.2247 9.36807 6.1206 14.1836 11.2233 4.80709 7.67927 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 5.47769 8.43054 4.68733 6.92781 7.03948 6.57331 11.0298 9.87867 6.09368 6.42835 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 9.64665 9.22598 8.59939 4.81926 9.66798 8.96727 9.55996 4.03439 6.20884 8.01308 numMergedOcc 0
3 mol 72 unq 0 iso 0 dist 8.624 9.74228 9.88768 7.04035 11.9814 6.21799 10.7906 12.9007 3.43675 5.03251 numMergedOcc 0
4 mol 72 unq 1 iso 0 dist 8.624 9.74228 9.88768 7.04035 11.9814 6.21799 12.952 12.9235 5.75711 7.66093 numMergedOcc 0
5 mol 72 unq 2 iso 0 dist 6.77912 7.12321 9.88768 8.24309 11.9814 6.21799 9.35457 12.9007 3.43675 5.03251 numMergedOcc 0
6 mol 72 unq 3 iso 0 dist 6.77912 7.12321 9.88768 8.24309 11.9814 6.21799 12.1131 12.9235 5.75711 7.66093 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 8.70133 9.73086 6.15714 5.4148 4.65521 7.4369 12.2276 6.10063 3.30399 8.68662 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 7.13087 5.61588 8.97361 8.07446 13.6145 5.5087 7.83244 10.2983 5.30471 6.08682 numMergedOcc 0
9 mol 73 unq 2 iso 0 dist 7.13087 7.83244 10.2983 8.07446 13.6145 6.08682 5.61588 8.97361 5.30471 5.5087 numMergedOcc 0
10 mol 89 unq 0 iso 0 dist 8.75946 5.51831 8.44919 10.4087 15.3836 7.47974 12.3442 13.5349 7.04263 6.53308 numMergedOcc 0
11 mol 115 unq 0 iso 0 dist 9.66954 6.39384 6.49835 7.69052 8.66155 9.42082 13.4105 9.13361 11.044 7.69765 numMergedOcc 0
12 mol 115 unq 1 iso 0 dist 7.64585 6.39384 5.65471 7.69052 12.2309 9.42082 13.4105 14.211 11.044 7.69765 numMergedOcc 0
13 mol 134 unq 0 iso 0 dist 8.79571 7.21868 5.67107 5.49782 5.42582 7.93372 13.9752 6.0991 11.4107 9.33924 numMergedOcc 0
14 mol 134 unq 1 iso 0 dist 8.94837 9.00918 5.58312 14.069 11.0162 9.10524 11.8779 12.0396 7.62195 6.42772 numMergedOcc 0
15 mol 134 unq 2 iso 0 dist 8.94837 7.99477 9.61537 6.90348 13.0127 5.35237 11.8779 12.0396 6.05407 8.70621 numMergedOcc 0
16 mol 142 unq 0 iso 0 dist 9.07935 6.14151 5.26247 5.32922 7.15475 7.81207 10.7696 12.2806 13.4681 7.18002 numMergedOcc 0
17 mol 167 unq 0 iso 0 dist 8.62646 9.2289 7.0046 4.70068 10.5089 7.68266 7.02548 6.24722 3.55199 6.84752 numMergedOcc 0
18 mol 167 unq 1 iso 0 dist 8.62646 9.2289 7.0046 10.3445 13.6191 7.6616 7.02548 6.24722 3.55199 7.86563 numMergedOcc 0
19 mol 167 unq 2 iso 0 dist 8.62646 7.02548 6.24722 4.70068 10.5089 6.84752 9.2289 7.0046 3.55199 7.68266 numMergedOcc 0
20 mol 167 unq 3 iso 0 dist 8.62646 7.02548 6.24722 10.3445 13.6191 7.86563 9.2289 7.0046 3.55199 7.6616 numMergedOcc 0
21 mol 192 unq 0 iso 0 dist 8.36822 5.64942 10.1087 5.76246 12.1647 6.97962 7.43054 10.0566 3.60331 6.79229 numMergedOcc 0
22 mol 192 unq 1 iso 0 dist 8.36822 7.43054 10.0566 5.76246 12.1647 6.79229 5.64942 10.1087 3.60331 6.97962 numMergedOcc 0
23 mol 225 unq 0 iso 0 dist 5.50387 8.1945 3.92979 13.3965 9.88956 6.50998 14.7849 9.32888 8.05944 9.09424 numMergedOcc 0
24 mol 225 unq 1 iso 0 dist 5.50387 8.1945 3.92979 13.3965 9.88956 6.50998 21.1757 16.9297 13.7858 8.14831 numMergedOcc 0
25 mol 235 unq 0 iso 0 dist 6.98084 8.19317 4.47008 7.218 7.32211 5.1823 6.29377 7.34601 4.8835 5.70635 numMergedOcc 0
26 mol 235 unq 1 iso 0 dist 6.98084 6.29377 7.34601 7.218 7.32211 5.70635 8.19317 4.47008 4.8835 5.1823 numMergedOcc 0
27 mol 235 unq 2 iso 0 dist 7.32211 5.1823 4.47008 7.218 6.98084 8.19317 5.70635 7.34601 4.8835 6.29377 numMergedOcc 0
28 mol 235 unq 3 iso 0 dist 7.32211 5.70635 7.34601 7.218 6.98084 6.29377 5.1823 4.47008 4.8835 8.19317 numMergedOcc 0
29 mol 259 unq 0 iso 0 dist 6.77938 6.9899 9.2872 9.98105 14.5785 5.85442 10.4017 11.3692 3.51848 6.95511 numMergedOcc 0
30 mol 259 unq 1 iso 0 dist 7.76676 6.9899 4.61451 9.98105 10.4634 5.85442 10.4017 5.56602 3.51848 6.95511 numMergedOcc 0
31 mol 277 unq 0 iso 0 dist 9.41725 8.9682 18.3854 7.08227 15.6511 5.46926 6.92711 16.1088 3.39114 5.13913 numMergedOcc 0
32 mol 277 unq 1 iso 0 dist 9.41725 6.92711 16.1088 7.08227 15.6511 5.13913 8.9682 18.3854 3.39114 5.46926 numMergedOcc 0
33 mol 292 unq 0 iso 0 dist 9.454 9.9182 8.68456 10.3106 13.8513 7.30758 13.4489 10.7239 3.57128 9.46442 numMergedOcc 0
34 mol 292 unq 1 iso 0 dist 9.454 9.9182 8.68456 10.3106 13.8513 7.30758 13.7082 11.7906 10.0941 9.5785 numMergedOcc 0
35 mol 292 unq 2 iso 0 dist 9.454 9.9182 8.68456 10.3106 13.8513 7.30758 18.0254 18.0122 13.2166 9.76319 numMergedOcc 0
36 mol 292 unq 3 iso 0 dist 9.454 9.9182 8.68456 12.1693 14.0515 9.10788 8.9221 7.29981 9.43063 8.85064 numMergedOcc 0
37 mol 292 unq 4 iso 0 dist 9.454 8.9221 7.29981 12.1693 14.0515 8.85064 9.9182 8.68456 9.43063 9.10788 numMergedOcc 0
