0 mol 7 unq 0 iso 0 dist 6.36911 9.87885 7.92429 13.2247 9.36807 6.1206 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.31201 6.1206 4.40641 13.2247 10.672 9.87885 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 9.36807 6.1206 7.92429 13.2247 6.36911 9.87885 numMergedOcc 0
3 mol 16 unq 0 iso 0 dist 7.03948 6.42835 9.87867 10.2656 16.3417 7.65889 numMergedOcc 0
4 mol 16 unq 1 iso 0 dist 7.03948 6.57331 4.68733 6.92781 5.47769 8.43054 numMergedOcc 0
5 mol 16 unq 2 iso 0 dist 5.47769 8.43054 4.68733 6.92781 7.03948 6.57331 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 6.40841 8.69057 11.0945 10.8779 16.0571 8.66539 numMergedOcc 0
7 mol 58 unq 1 iso 0 dist 6.40841 8.69057 11.0945 5.47421 10.335 5.38524 numMergedOcc 0
8 mol 58 unq 2 iso 0 dist 9.64665 9.22598 8.59939 4.81926 9.66798 8.96727 numMergedOcc 0
9 mol 58 unq 3 iso 0 dist 8.89374 8.96727 14.6599 4.81926 11.5023 9.22598 numMergedOcc 0
10 mol 68 unq 0 iso 0 dist 7.96497 7.39665 7.39155 14.224 16.5849 9.8703 numMergedOcc 0
11 mol 72 unq 0 iso 0 dist 9.02278 6.21799 5.5067 7.04035 14.5113 9.74228 numMergedOcc 0
12 mol 72 unq 1 iso 0 dist 9.02278 6.21799 5.5067 8.24309 12.0903 7.12321 numMergedOcc 0
13 mol 72 unq 2 iso 0 dist 9.02278 5.03251 4.01021 5.8486 13.0378 9.56773 numMergedOcc 0
14 mol 72 unq 3 iso 0 dist 8.624 9.74228 9.88768 5.36766 6.77912 7.12321 numMergedOcc 0
15 mol 72 unq 4 iso 0 dist 8.624 9.74228 9.88768 7.04035 11.9814 6.21799 numMergedOcc 0
16 mol 72 unq 5 iso 0 dist 6.77912 7.12321 9.88768 5.36766 8.624 9.74228 numMergedOcc 0
17 mol 72 unq 6 iso 0 dist 6.77912 7.12321 9.88768 8.24309 11.9814 6.21799 numMergedOcc 0
18 mol 73 unq 0 iso 0 dist 8.70133 9.73086 6.15714 5.4148 4.65521 7.4369 numMergedOcc 0
19 mol 73 unq 1 iso 0 dist 4.65521 7.4369 6.15714 5.4148 8.70133 9.73086 numMergedOcc 0
20 mol 73 unq 2 iso 0 dist 7.13087 5.61588 8.97361 8.07446 13.6145 5.5087 numMergedOcc 0
21 mol 73 unq 3 iso 0 dist 7.13087 7.83244 10.2983 8.07446 13.6145 6.08682 numMergedOcc 0
22 mol 76 unq 0 iso 0 dist 8.97793 9.85905 9.21694 10.2879 11.062 6.72869 numMergedOcc 0
23 mol 76 unq 1 iso 0 dist 6.21982 6.72869 4.00608 10.2879 8.19682 9.85905 numMergedOcc 0
24 mol 76 unq 2 iso 0 dist 8.19682 9.85905 4.00608 10.2879 6.21982 6.72869 numMergedOcc 0
25 mol 88 unq 0 iso 0 dist 9.10189 7.51139 8.40245 12.1547 11.375 7.80898 numMergedOcc 0
26 mol 88 unq 1 iso 0 dist 8.66514 7.80898 7.15936 12.1547 14.3557 7.51139 numMergedOcc 0
27 mol 88 unq 2 iso 0 dist 9.25235 7.80898 10.8763 12.1547 17.4216 7.51139 numMergedOcc 0
28 mol 89 unq 0 iso 0 dist 8.75946 5.51831 8.44919 6.50464 14.8208 8.40422 numMergedOcc 0
29 mol 89 unq 1 iso 0 dist 8.75946 5.51831 8.44919 8.46794 15.8268 8.40425 numMergedOcc 0
30 mol 89 unq 2 iso 0 dist 8.75946 5.51831 8.44919 10.4087 15.3836 7.47974 numMergedOcc 0
31 mol 89 unq 3 iso 0 dist 8.75946 5.51831 8.44919 5.45013 13.4019 9.65149 numMergedOcc 0
32 mol 115 unq 0 iso 0 dist 9.66954 6.39384 6.49835 7.69052 8.66155 9.42082 numMergedOcc 0
33 mol 115 unq 1 iso 0 dist 8.66155 9.42082 6.49835 7.69052 9.66954 6.39384 numMergedOcc 0
34 mol 115 unq 2 iso 0 dist 7.64585 6.39384 5.65471 7.69052 12.2309 9.42082 numMergedOcc 0
35 mol 117 unq 0 iso 0 dist 7.63616 8.19331 5.56883 7.21564 10.6107 8.85711 numMergedOcc 0
36 mol 127 unq 0 iso 0 dist 6.63981 7.79505 6.15949 6.55997 10.5605 7.36199 numMergedOcc 0
37 mol 132 unq 0 iso 0 dist 6.03703 6.89918 6.545 4.35917 7.61505 7.89457 numMergedOcc 0
38 mol 132 unq 1 iso 0 dist 7.61505 7.89457 6.545 4.35917 6.03703 6.89918 numMergedOcc 0
39 mol 134 unq 0 iso 0 dist 8.79571 7.21868 5.67107 5.62899 13.0121 9.66543 numMergedOcc 0
40 mol 134 unq 1 iso 0 dist 8.79571 7.21868 5.67107 5.49782 5.42582 7.93372 numMergedOcc 0
41 mol 134 unq 2 iso 0 dist 5.42582 7.93372 5.67107 10.7144 13.0121 9.66543 numMergedOcc 0
42 mol 134 unq 3 iso 0 dist 5.42582 7.93372 5.67107 5.49782 8.79571 7.21868 numMergedOcc 0
43 mol 134 unq 4 iso 0 dist 8.94837 9.00918 5.58312 14.069 11.0162 9.10524 numMergedOcc 0
44 mol 134 unq 5 iso 0 dist 8.94837 7.99477 9.61537 6.90348 13.0127 5.35237 numMergedOcc 0
45 mol 142 unq 0 iso 0 dist 7.15475 7.81207 5.26247 5.32922 9.07935 6.14151 numMergedOcc 0
46 mol 142 unq 1 iso 0 dist 9.07935 6.14151 5.26247 5.32922 7.15475 7.81207 numMergedOcc 0
47 mol 167 unq 0 iso 0 dist 8.62646 9.2289 7.0046 4.70068 10.5089 7.68266 numMergedOcc 0
48 mol 167 unq 1 iso 0 dist 8.62646 9.2289 7.0046 10.3445 13.6191 7.6616 numMergedOcc 0
49 mol 167 unq 2 iso 0 dist 8.62646 7.02548 6.24722 4.70068 10.5089 6.84752 numMergedOcc 0
50 mol 167 unq 3 iso 0 dist 8.62646 7.02548 6.24722 10.3445 13.6191 7.86563 numMergedOcc 0
51 mol 181 unq 0 iso 0 dist 7.98142 9.01624 12.2513 11.5866 16.7285 5.05973 numMergedOcc 0
52 mol 181 unq 1 iso 0 dist 7.37327 9.01624 14.8923 11.5866 18.3916 5.05973 numMergedOcc 0
53 mol 192 unq 0 iso 0 dist 8.36822 5.64942 10.1087 5.76246 12.1647 6.97962 numMergedOcc 0
54 mol 192 unq 1 iso 0 dist 8.36822 7.43054 10.0566 5.76246 12.1647 6.79229 numMergedOcc 0
55 mol 218 unq 0 iso 0 dist 8.53199 7.33709 11.6662 4.72474 12.0819 8.75536 numMergedOcc 0
56 mol 218 unq 1 iso 0 dist 8.53199 7.33709 11.6662 5.61978 13.6555 6.67404 numMergedOcc 0
57 mol 219 unq 0 iso 0 dist 4.87541 4.33238 3.78261 7.02195 10.105 7.83604 numMergedOcc 0
58 mol 224 unq 0 iso 0 dist 6.65984 8.79428 10.9705 6.77699 11.0097 6.99769 numMergedOcc 0
59 mol 224 unq 1 iso 0 dist 6.65984 8.79428 10.9705 8.49799 10.667 6.8692 numMergedOcc 0
60 mol 225 unq 0 iso 0 dist 5.50387 8.1945 3.92979 13.3965 9.88956 6.50998 numMergedOcc 0
61 mol 227 unq 0 iso 0 dist 9.62609 6.91318 11.5454 5.22356 13.4493 5.23634 numMergedOcc 0
62 mol 227 unq 1 iso 0 dist 8.17891 5.23634 4.09934 5.22356 6.95902 6.91318 numMergedOcc 0
63 mol 227 unq 2 iso 0 dist 6.95902 6.91318 4.09934 5.22356 8.17891 5.23634 numMergedOcc 0
64 mol 234 unq 0 iso 0 dist 9.5707 7.81215 11.8229 10.2693 11.8897 5.64285 numMergedOcc 0
65 mol 234 unq 1 iso 0 dist 7.85175 7.81215 10.5304 10.2693 13.0678 5.64285 numMergedOcc 0
66 mol 234 unq 2 iso 0 dist 9.39181 5.64285 6.45373 10.2693 10.475 7.81215 numMergedOcc 0
67 mol 235 unq 0 iso 0 dist 6.98084 8.19317 4.47008 7.218 7.32211 5.1823 numMergedOcc 0
68 mol 235 unq 1 iso 0 dist 6.98084 6.29377 7.34601 7.218 7.32211 5.70635 numMergedOcc 0
69 mol 235 unq 2 iso 0 dist 7.32211 5.1823 4.47008 7.218 6.98084 8.19317 numMergedOcc 0
70 mol 235 unq 3 iso 0 dist 7.32211 5.70635 7.34601 7.218 6.98084 6.29377 numMergedOcc 0
71 mol 238 unq 0 iso 0 dist 6.55759 9.12776 15.4844 15.7907 21.3432 9.72188 numMergedOcc 0
72 mol 238 unq 1 iso 0 dist 7.02475 9.12776 13.037 15.7907 17.436 9.72188 numMergedOcc 0
73 mol 238 unq 2 iso 0 dist 7.67322 9.12776 9.75095 15.7907 12.1104 9.72188 numMergedOcc 0
74 mol 238 unq 3 iso 0 dist 9.29858 9.72188 11.7938 15.7907 12.3367 9.12776 numMergedOcc 0
75 mol 238 unq 4 iso 0 dist 7.19008 9.12776 6.12722 15.7907 15.0465 9.72188 numMergedOcc 0
76 mol 257 unq 0 iso 0 dist 7.27505 7.81897 7.89807 5.74182 10.9918 6.34915 numMergedOcc 0
77 mol 259 unq 0 iso 0 dist 7.48005 7.66153 14.0829 4.69778 10.9591 9.07743 numMergedOcc 0
78 mol 259 unq 1 iso 0 dist 6.77938 6.9899 9.2872 9.98105 14.5785 5.85442 numMergedOcc 0
79 mol 259 unq 2 iso 0 dist 7.76676 6.9899 4.61451 9.98105 10.4634 5.85442 numMergedOcc 0
80 mol 277 unq 0 iso 0 dist 9.41725 8.9682 18.3854 11.8268 19.0768 9.57499 numMergedOcc 0
81 mol 277 unq 1 iso 0 dist 9.41725 8.9682 18.3854 7.08227 15.6511 5.46926 numMergedOcc 0
82 mol 277 unq 2 iso 0 dist 9.41725 6.92711 16.1088 7.08227 15.6511 5.13913 numMergedOcc 0
83 mol 292 unq 0 iso 0 dist 9.454 9.9182 8.68456 10.3106 13.8513 7.30758 numMergedOcc 0
84 mol 292 unq 1 iso 0 dist 9.454 9.9182 8.68456 12.1693 14.0515 9.10788 numMergedOcc 0
85 mol 292 unq 2 iso 0 dist 9.454 8.9221 7.29981 12.1693 14.0515 8.85064 numMergedOcc 0
