0 mol 7 unq 0 iso 0 dist 7.31201 6.1206 4.40641 7.67927 5.03278 4.80709 13.2247 10.672 9.87885 14.1836 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.36807 6.1206 7.92429 7.67927 11.2233 4.80709 13.2247 6.36911 9.87885 14.1836 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 7.03948 6.42835 9.87867 6.57331 4.68733 6.09368 10.2656 16.3417 7.65889 13.1847 numMergedOcc 0
3 mol 16 unq 1 iso 0 dist 7.03948 6.57331 4.68733 6.42835 9.87867 6.09368 6.92781 5.47769 8.43054 11.0298 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 8.89374 8.96727 14.6599 8.01308 9.47022 6.20884 4.81926 11.5023 9.22598 9.55996 numMergedOcc 0
5 mol 72 unq 0 iso 0 dist 9.02278 6.21799 5.5067 5.03251 4.01021 3.43675 7.04035 14.5113 9.74228 10.7906 numMergedOcc 0
6 mol 72 unq 1 iso 0 dist 9.02278 6.21799 5.5067 5.03251 4.01021 3.43675 8.24309 12.0903 7.12321 9.35457 numMergedOcc 0
7 mol 72 unq 2 iso 0 dist 9.02278 6.21799 5.5067 7.66093 6.40102 5.75711 7.04035 14.5113 9.74228 12.952 numMergedOcc 0
8 mol 72 unq 3 iso 0 dist 9.02278 6.21799 5.5067 7.66093 6.40102 5.75711 8.24309 12.0903 7.12321 12.1131 numMergedOcc 0
9 mol 72 unq 4 iso 0 dist 9.02278 5.03251 4.01021 6.21799 5.5067 3.43675 5.8486 13.0378 9.56773 10.9808 numMergedOcc 0
10 mol 72 unq 5 iso 0 dist 9.02278 5.03251 4.01021 7.66093 6.40102 5.26077 5.8486 13.0378 9.56773 13.336 numMergedOcc 0
11 mol 73 unq 0 iso 0 dist 4.65521 7.4369 6.15714 8.68662 6.10063 3.30399 5.4148 8.70133 9.73086 12.2276 numMergedOcc 0
12 mol 73 unq 1 iso 0 dist 7.13087 5.61588 8.97361 8.72682 10.1413 9.76138 8.07446 13.6145 5.5087 10.2939 numMergedOcc 0
13 mol 73 unq 2 iso 0 dist 7.13087 5.61588 8.97361 6.45841 7.79034 3.32668 8.07446 13.6145 5.5087 8.62198 numMergedOcc 0
14 mol 73 unq 3 iso 0 dist 7.13087 5.61588 8.97361 7.83244 10.2983 5.30471 8.07446 13.6145 5.5087 6.08682 numMergedOcc 0
15 mol 73 unq 4 iso 0 dist 7.13087 7.83244 10.2983 8.72682 10.1413 5.81659 8.07446 13.6145 6.08682 10.2939 numMergedOcc 0
16 mol 73 unq 5 iso 0 dist 7.13087 7.83244 10.2983 6.45841 7.79034 8.07648 8.07446 13.6145 6.08682 8.62198 numMergedOcc 0
17 mol 73 unq 6 iso 0 dist 7.13087 7.83244 10.2983 5.61588 8.97361 5.30471 8.07446 13.6145 6.08682 5.5087 numMergedOcc 0
18 mol 115 unq 0 iso 0 dist 8.66155 9.42082 6.49835 7.69765 9.13361 11.044 7.69052 9.66954 6.39384 13.4105 numMergedOcc 0
19 mol 134 unq 0 iso 0 dist 5.42582 7.93372 5.67107 9.33924 6.0991 11.4107 10.7144 13.0121 9.66543 18.0094 numMergedOcc 0
20 mol 134 unq 1 iso 0 dist 5.42582 7.93372 5.67107 9.33924 6.0991 11.4107 5.49782 8.79571 7.21868 13.9752 numMergedOcc 0
21 mol 134 unq 2 iso 0 dist 8.94837 9.00918 5.58312 7.99477 9.61537 4.87973 14.069 11.0162 9.10524 10.6728 numMergedOcc 0
22 mol 134 unq 3 iso 0 dist 8.94837 7.99477 9.61537 9.00918 5.58312 4.87973 6.90348 13.0127 5.35237 9.69086 numMergedOcc 0
23 mol 142 unq 0 iso 0 dist 7.15475 7.81207 5.26247 7.18002 12.2806 13.4681 5.32922 9.07935 6.14151 10.7696 numMergedOcc 0
24 mol 167 unq 0 iso 0 dist 8.62646 9.2289 7.0046 7.20495 4.15547 9.25262 4.70068 10.5089 7.68266 10.5499 numMergedOcc 0
25 mol 167 unq 1 iso 0 dist 8.62646 9.2289 7.0046 7.20495 4.15547 9.25262 10.3445 13.6191 7.6616 14.1851 numMergedOcc 0
26 mol 167 unq 2 iso 0 dist 8.62646 9.2289 7.0046 7.02548 6.24722 3.55199 4.70068 10.5089 7.68266 6.84752 numMergedOcc 0
27 mol 167 unq 3 iso 0 dist 8.62646 9.2289 7.0046 7.02548 6.24722 3.55199 10.3445 13.6191 7.6616 7.86563 numMergedOcc 0
28 mol 167 unq 4 iso 0 dist 8.62646 7.02548 6.24722 7.20495 4.15547 6.81449 4.70068 10.5089 6.84752 10.5499 numMergedOcc 0
29 mol 167 unq 5 iso 0 dist 8.62646 7.02548 6.24722 7.20495 4.15547 6.81449 10.3445 13.6191 7.86563 14.1851 numMergedOcc 0
30 mol 167 unq 6 iso 0 dist 8.62646 7.02548 6.24722 9.2289 7.0046 3.55199 4.70068 10.5089 6.84752 7.68266 numMergedOcc 0
31 mol 167 unq 7 iso 0 dist 8.62646 7.02548 6.24722 9.2289 7.0046 3.55199 10.3445 13.6191 7.86563 7.6616 numMergedOcc 0
32 mol 181 unq 0 iso 0 dist 7.98142 9.01624 12.2513 6.64173 4.48306 11.196 11.5866 16.7285 5.05973 15.3823 numMergedOcc 0
33 mol 181 unq 1 iso 0 dist 7.98142 9.01624 12.2513 9.55105 10.2172 3.55187 11.5866 16.7285 5.05973 8.40951 numMergedOcc 0
34 mol 181 unq 2 iso 0 dist 7.37327 9.01624 14.8923 6.64173 4.88823 11.196 11.5866 18.3916 5.05973 15.3823 numMergedOcc 0
35 mol 181 unq 3 iso 0 dist 7.37327 9.01624 14.8923 9.55105 14.2334 3.55187 11.5866 18.3916 5.05973 8.40951 numMergedOcc 0
36 mol 192 unq 0 iso 0 dist 8.36822 5.64942 10.1087 9.78634 10.3099 5.9655 5.76246 12.1647 6.97962 12.8149 numMergedOcc 0
37 mol 192 unq 1 iso 0 dist 8.36822 5.64942 10.1087 7.43054 10.0566 3.60331 5.76246 12.1647 6.97962 6.79229 numMergedOcc 0
38 mol 192 unq 2 iso 0 dist 8.36822 7.43054 10.0566 9.78634 10.3099 7.70298 5.76246 12.1647 6.79229 12.8149 numMergedOcc 0
39 mol 192 unq 3 iso 0 dist 8.36822 7.43054 10.0566 5.64942 10.1087 3.60331 5.76246 12.1647 6.79229 6.97962 numMergedOcc 0
40 mol 235 unq 0 iso 0 dist 6.98084 8.19317 4.47008 6.29377 7.34601 4.8835 7.218 7.32211 5.1823 5.70635 numMergedOcc 0
41 mol 235 unq 1 iso 0 dist 6.98084 6.29377 7.34601 8.19317 4.47008 4.8835 7.218 7.32211 5.70635 5.1823 numMergedOcc 0
42 mol 235 unq 2 iso 0 dist 7.32211 5.1823 4.47008 5.70635 7.34601 4.8835 7.218 6.98084 8.19317 6.29377 numMergedOcc 0
43 mol 235 unq 3 iso 0 dist 7.32211 5.70635 7.34601 5.1823 4.47008 4.8835 7.218 6.98084 6.29377 8.19317 numMergedOcc 0
44 mol 259 unq 0 iso 0 dist 7.48005 7.66153 14.0829 9.63573 9.98303 10.3051 4.69778 10.9591 9.07743 12.8229 numMergedOcc 0
45 mol 259 unq 1 iso 0 dist 6.77938 6.9899 9.2872 8.03219 8.90322 8.0048 9.98105 14.5785 5.85442 11.7465 numMergedOcc 0
46 mol 259 unq 2 iso 0 dist 7.76676 6.9899 4.61451 8.03219 7.27192 8.0048 9.98105 10.4634 5.85442 11.7465 numMergedOcc 0
47 mol 277 unq 0 iso 0 dist 9.41725 8.9682 18.3854 9.35539 7.07508 16.9644 11.8268 19.0768 9.57499 15.5554 numMergedOcc 0
48 mol 277 unq 1 iso 0 dist 9.41725 8.9682 18.3854 9.35539 7.07508 16.9644 7.08227 15.6511 5.46926 14.9313 numMergedOcc 0
49 mol 277 unq 2 iso 0 dist 9.41725 8.9682 18.3854 6.92711 16.1088 3.39114 11.8268 19.0768 9.57499 11.4389 numMergedOcc 0
50 mol 277 unq 3 iso 0 dist 9.41725 8.9682 18.3854 6.92711 16.1088 3.39114 7.08227 15.6511 5.46926 5.13913 numMergedOcc 0
51 mol 277 unq 4 iso 0 dist 9.41725 6.92711 16.1088 9.35539 7.07508 15.8851 7.08227 15.6511 5.13913 14.9313 numMergedOcc 0
52 mol 277 unq 5 iso 0 dist 9.41725 6.92711 16.1088 8.9682 18.3854 3.39114 7.08227 15.6511 5.13913 5.46926 numMergedOcc 0
53 mol 292 unq 0 iso 0 dist 9.454 9.9182 8.68456 8.9221 7.29981 9.43063 10.3106 13.8513 7.30758 14.8054 numMergedOcc 0
54 mol 292 unq 1 iso 0 dist 9.454 9.9182 8.68456 8.9221 7.29981 9.43063 12.1693 14.0515 9.10788 8.85064 numMergedOcc 0
55 mol 292 unq 2 iso 0 dist 9.454 8.9221 7.29981 9.9182 8.68456 9.43063 12.1693 14.0515 8.85064 9.10788 numMergedOcc 0
