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 9.36807 6.1206 7.92429 13.2247 6.36911 9.87885 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 9.36807 7.67927 11.2233 13.2247 6.36911 14.1836 numMergedOcc 0
3 mol 16 unq 0 iso 0 dist 7.03948 6.42835 9.87867 6.92781 5.47769 11.0298 numMergedOcc 0
4 mol 16 unq 1 iso 0 dist 7.03948 6.42835 9.87867 10.7015 6.58035 15.3667 numMergedOcc 0
5 mol 16 unq 2 iso 0 dist 7.03948 6.57331 4.68733 6.92781 5.47769 8.43054 numMergedOcc 0
6 mol 16 unq 3 iso 0 dist 7.03948 6.57331 4.68733 10.7015 6.58035 11.1513 numMergedOcc 0
7 mol 16 unq 4 iso 0 dist 5.47769 8.43054 4.68733 6.92781 7.03948 6.57331 numMergedOcc 0
8 mol 16 unq 5 iso 0 dist 5.47769 8.43054 4.68733 5.32694 6.58035 11.1513 numMergedOcc 0
9 mol 45 unq 0 iso 0 dist 6.34173 9.33906 6.00679 5.24762 7.06308 11.5679 numMergedOcc 0
10 mol 45 unq 1 iso 0 dist 6.34173 9.33906 6.00679 5.101 9.43442 13.9885 numMergedOcc 0
11 mol 45 unq 2 iso 0 dist 6.99408 5.94756 4.51883 6.11102 9.3403 10.7728 numMergedOcc 0
12 mol 58 unq 0 iso 0 dist 6.40841 8.69057 11.0945 11.0466 7.58407 18.0198 numMergedOcc 0
13 mol 58 unq 1 iso 0 dist 6.40841 8.69057 11.0945 5.90225 6.31428 13.1897 numMergedOcc 0
14 mol 58 unq 2 iso 0 dist 8.89374 8.96727 14.6599 5.35073 8.63333 13.3281 numMergedOcc 0
15 mol 58 unq 3 iso 0 dist 8.89374 8.96727 14.6599 8.62958 6.46761 14.4498 numMergedOcc 0
16 mol 58 unq 4 iso 0 dist 8.89374 8.96727 14.6599 14.176 9.73139 20.9029 numMergedOcc 0
17 mol 58 unq 5 iso 0 dist 8.89374 8.01308 9.47022 5.35073 8.63333 11.5155 numMergedOcc 0
18 mol 58 unq 6 iso 0 dist 8.89374 8.01308 9.47022 8.62958 6.46761 10.6166 numMergedOcc 0
19 mol 58 unq 7 iso 0 dist 8.89374 8.01308 9.47022 14.176 9.73139 16.7574 numMergedOcc 0
20 mol 64 unq 0 iso 0 dist 8.68586 9.86334 8.84224 10.6748 9.54144 16.9931 numMergedOcc 0
21 mol 72 unq 0 iso 0 dist 8.624 9.74228 9.88768 5.36766 6.77912 7.12321 numMergedOcc 0
22 mol 72 unq 1 iso 0 dist 6.77912 7.12321 9.88768 5.36766 8.624 9.74228 numMergedOcc 0
23 mol 73 unq 0 iso 0 dist 8.70133 9.73086 6.15714 7.4697 5.64598 10.9476 numMergedOcc 0
24 mol 73 unq 1 iso 0 dist 8.70133 9.73086 6.15714 5.4148 4.65521 7.4369 numMergedOcc 0
25 mol 73 unq 2 iso 0 dist 4.65521 8.68662 6.10063 5.4148 8.70133 12.2276 numMergedOcc 0
26 mol 73 unq 3 iso 0 dist 4.65521 8.68662 6.10063 5.7113 5.64598 11.6739 numMergedOcc 0
27 mol 73 unq 4 iso 0 dist 4.65521 7.4369 6.15714 5.4148 8.70133 9.73086 numMergedOcc 0
28 mol 73 unq 5 iso 0 dist 4.65521 7.4369 6.15714 5.7113 5.64598 10.9476 numMergedOcc 0
29 mol 76 unq 0 iso 0 dist 6.21982 6.72869 4.00608 10.2879 8.19682 9.85905 numMergedOcc 0
30 mol 76 unq 1 iso 0 dist 8.19682 9.85905 4.00608 10.2879 6.21982 6.72869 numMergedOcc 0
31 mol 92 unq 0 iso 0 dist 5.81965 8.3773 7.94489 5.02055 7.06013 12.4353 numMergedOcc 0
32 mol 92 unq 1 iso 0 dist 5.81965 8.3773 7.94489 8.95922 9.70512 11.1432 numMergedOcc 0
33 mol 109 unq 0 iso 0 dist 5.87358 7.07971 5.15674 4.98336 9.20981 11.8087 numMergedOcc 0
34 mol 115 unq 0 iso 0 dist 9.66954 6.39384 6.49835 7.69052 8.66155 9.42082 numMergedOcc 0
35 mol 115 unq 1 iso 0 dist 8.66155 7.69765 9.13361 7.69052 9.66954 13.4105 numMergedOcc 0
36 mol 115 unq 2 iso 0 dist 8.66155 9.42082 6.49835 7.69052 9.66954 6.39384 numMergedOcc 0
37 mol 117 unq 0 iso 0 dist 6.62561 6.10127 6.95589 7.22206 7.63616 11.6387 numMergedOcc 0
38 mol 117 unq 1 iso 0 dist 7.63616 8.19331 5.56883 7.22206 6.62561 10.4223 numMergedOcc 0
39 mol 127 unq 0 iso 0 dist 6.63981 7.79505 6.15949 6.16471 7.34519 11.5667 numMergedOcc 0
40 mol 127 unq 1 iso 0 dist 6.63981 7.79505 6.15949 4.48524 8.58999 11.7484 numMergedOcc 0
41 mol 130 unq 0 iso 0 dist 7.66168 9.98797 4.02212 7.01619 6.79146 10.4806 numMergedOcc 0
42 mol 130 unq 1 iso 0 dist 7.66168 9.98797 4.02212 7.50049 6.89257 10.4564 numMergedOcc 0
43 mol 130 unq 2 iso 0 dist 9.12581 9.98797 5.46642 7.50049 8.74308 10.4564 numMergedOcc 0
44 mol 132 unq 0 iso 0 dist 6.03703 6.89918 6.545 4.35917 7.61505 7.89457 numMergedOcc 0
45 mol 132 unq 1 iso 0 dist 7.61505 7.89457 6.545 4.35917 6.03703 6.89918 numMergedOcc 0
46 mol 134 unq 0 iso 0 dist 8.79571 7.21868 5.67107 5.49782 5.42582 7.93372 numMergedOcc 0
47 mol 134 unq 1 iso 0 dist 8.79571 7.21868 5.67107 8.80819 8.6355 11.988 numMergedOcc 0
48 mol 134 unq 2 iso 0 dist 5.42582 9.33924 6.0991 5.49782 8.79571 13.9752 numMergedOcc 0
49 mol 134 unq 3 iso 0 dist 5.42582 9.33924 6.0991 5.00817 8.6355 9.55584 numMergedOcc 0
50 mol 134 unq 4 iso 0 dist 5.42582 7.93372 5.67107 5.49782 8.79571 7.21868 numMergedOcc 0
51 mol 134 unq 5 iso 0 dist 5.42582 7.93372 5.67107 5.00817 8.6355 11.988 numMergedOcc 0
52 mol 134 unq 6 iso 0 dist 8.94837 9.00918 5.58312 7.93571 7.77454 11.0651 numMergedOcc 0
53 mol 134 unq 7 iso 0 dist 8.94837 7.99477 9.61537 7.93571 7.77454 12.782 numMergedOcc 0
54 mol 141 unq 0 iso 0 dist 6.93652 8.07097 4.22522 5.67306 9.54444 11.7578 numMergedOcc 0
55 mol 142 unq 0 iso 0 dist 7.15475 7.81207 5.26247 5.32922 9.07935 6.14151 numMergedOcc 0
56 mol 142 unq 1 iso 0 dist 7.15475 7.18002 12.2806 5.32922 9.07935 10.7696 numMergedOcc 0
57 mol 142 unq 2 iso 0 dist 9.07935 6.14151 5.26247 5.32922 7.15475 7.81207 numMergedOcc 0
58 mol 155 unq 0 iso 0 dist 9.14392 8.97626 12.0485 5.71071 7.16254 12.9034 numMergedOcc 0
59 mol 155 unq 1 iso 0 dist 7.51198 8.97626 4.48516 5.71071 9.86313 12.9034 numMergedOcc 0
60 mol 184 unq 0 iso 0 dist 9.52936 8.97589 9.68365 5.43299 9.15417 13.121 numMergedOcc 0
61 mol 184 unq 1 iso 0 dist 9.52936 5.96423 11.6883 5.43299 9.15417 11.2903 numMergedOcc 0
62 mol 213 unq 0 iso 0 dist 8.45368 7.94911 5.9858 13.7995 9.59129 15.41 numMergedOcc 0
63 mol 213 unq 1 iso 0 dist 9.59129 8.21793 4.89372 13.7995 8.45368 12.6769 numMergedOcc 0
64 mol 224 unq 0 iso 0 dist 6.65984 8.79428 10.9705 4.70378 6.67585 13.2325 numMergedOcc 0
65 mol 227 unq 0 iso 0 dist 8.17891 5.23634 4.09934 5.22356 6.95902 6.91318 numMergedOcc 0
66 mol 227 unq 1 iso 0 dist 6.95902 6.91318 4.09934 5.22356 8.17891 5.23634 numMergedOcc 0
67 mol 234 unq 0 iso 0 dist 7.85175 7.81215 10.5304 5.88703 6.25105 11.6391 numMergedOcc 0
68 mol 235 unq 0 iso 0 dist 6.98084 8.19317 4.47008 16.4493 9.58736 11.0129 numMergedOcc 0
69 mol 235 unq 1 iso 0 dist 6.98084 8.19317 4.47008 14.4362 9.43058 12.9086 numMergedOcc 0
70 mol 235 unq 2 iso 0 dist 6.98084 8.19317 4.47008 11.3519 8.75735 11.8988 numMergedOcc 0
71 mol 235 unq 3 iso 0 dist 6.98084 8.19317 4.47008 7.218 7.32211 5.1823 numMergedOcc 0
72 mol 235 unq 4 iso 0 dist 6.98084 6.29377 7.34601 16.4493 9.58736 15.1974 numMergedOcc 0
73 mol 235 unq 5 iso 0 dist 6.98084 6.29377 7.34601 14.4362 9.43058 16.6119 numMergedOcc 0
74 mol 235 unq 6 iso 0 dist 6.98084 6.29377 7.34601 11.3519 8.75735 14.6441 numMergedOcc 0
75 mol 235 unq 7 iso 0 dist 6.98084 6.29377 7.34601 7.218 7.32211 5.70635 numMergedOcc 0
76 mol 235 unq 8 iso 0 dist 7.32211 5.1823 4.47008 15.4 9.58736 11.0129 numMergedOcc 0
77 mol 235 unq 9 iso 0 dist 7.32211 5.1823 4.47008 14.4107 9.43058 12.9086 numMergedOcc 0
78 mol 235 unq 10 iso 0 dist 7.32211 5.1823 4.47008 11.3789 8.75735 11.8988 numMergedOcc 0
79 mol 235 unq 11 iso 0 dist 7.32211 5.1823 4.47008 7.218 6.98084 8.19317 numMergedOcc 0
80 mol 235 unq 12 iso 0 dist 7.32211 5.70635 7.34601 15.4 9.58736 15.1974 numMergedOcc 0
81 mol 235 unq 13 iso 0 dist 7.32211 5.70635 7.34601 14.4107 9.43058 16.6119 numMergedOcc 0
82 mol 235 unq 14 iso 0 dist 7.32211 5.70635 7.34601 11.3789 8.75735 14.6441 numMergedOcc 0
83 mol 235 unq 15 iso 0 dist 7.32211 5.70635 7.34601 7.218 6.98084 6.29377 numMergedOcc 0
84 mol 236 unq 0 iso 0 dist 5.34718 9.3206 13.0765 7.28249 7.17676 10.1317 numMergedOcc 0
85 mol 238 unq 0 iso 0 dist 6.55759 9.12776 15.4844 5.42006 5.38637 13.9551 numMergedOcc 0
86 mol 238 unq 1 iso 0 dist 7.02475 9.12776 13.037 12.9854 8.96531 14.1555 numMergedOcc 0
87 mol 238 unq 2 iso 0 dist 9.68513 8.82351 5.99163 10.1648 9.29858 12.7605 numMergedOcc 0
88 mol 238 unq 3 iso 0 dist 9.29858 9.72188 11.7938 10.1648 9.68513 11.1002 numMergedOcc 0
89 mol 238 unq 4 iso 0 dist 5.9216 8.82351 4.40419 5.40359 9.90142 11.1059 numMergedOcc 0
90 mol 238 unq 5 iso 0 dist 7.19008 9.12776 6.12722 5.34096 7.49471 8.69015 numMergedOcc 0
91 mol 259 unq 0 iso 0 dist 7.48005 9.63573 9.98303 12.5353 8.37865 17.0253 numMergedOcc 0
92 mol 259 unq 1 iso 0 dist 7.48005 7.66153 14.0829 12.5353 8.37865 20.1127 numMergedOcc 0
93 mol 276 unq 0 iso 0 dist 8.76347 8.6759 13.5196 8.88126 9.38971 14.4279 numMergedOcc 0
94 mol 276 unq 1 iso 0 dist 8.76347 8.6759 13.5196 5.50479 8.71541 14.151 numMergedOcc 0
