0 mol 7 unq 0 iso 0 dist 8.57437 17.7278 9.85726 15.262 11.5784 9.60499 numMergedOcc 0
1 mol 14 unq 0 iso 0 dist 9.42142 5.63648 8.39221 8.13983 7.00835 6.38364 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 9.56648 5.48395 5.84479 6.36377 5.35079 6.31718 numMergedOcc 0
3 mol 16 unq 1 iso 0 dist 9.56648 5.48395 5.84479 12.9591 6.53177 7.63133 numMergedOcc 0
4 mol 16 unq 2 iso 0 dist 9.56648 10.1011 8.67719 12.9591 6.53177 5.46498 numMergedOcc 0
5 mol 34 unq 0 iso 0 dist 9.18109 5.66535 6.87871 13.8432 8.95909 9.24927 numMergedOcc 0
6 mol 38 unq 0 iso 0 dist 9.94799 15.3073 9.23576 16.11 7.35595 7.50293 numMergedOcc 0
7 mol 38 unq 1 iso 0 dist 9.94799 15.3073 9.23576 18.5085 8.59794 9.91611 numMergedOcc 0
8 mol 54 unq 0 iso 0 dist 5.01162 9.88291 6.59893 11.0361 11.9881 9.5589 numMergedOcc 0
9 mol 54 unq 1 iso 0 dist 5.01162 9.88291 6.59893 11.4465 10.3564 6.83299 numMergedOcc 0
10 mol 54 unq 2 iso 0 dist 5.01162 9.88291 6.59893 16.0531 12.4254 8.10861 numMergedOcc 0
11 mol 59 unq 0 iso 0 dist 5.70814 6.8958 6.48625 7.7978 6.34264 7.17396 numMergedOcc 0
12 mol 59 unq 1 iso 0 dist 5.70814 6.8958 6.48625 10.3954 5.30842 9.21998 numMergedOcc 0
13 mol 59 unq 2 iso 0 dist 5.58384 5.85228 6.48625 9.55751 6.34264 7.17396 numMergedOcc 0
14 mol 59 unq 3 iso 0 dist 5.58384 5.85228 6.48625 10.7234 5.30842 9.21998 numMergedOcc 0
15 mol 61 unq 0 iso 0 dist 9.82315 7.49081 5.92705 10.5781 5.4671 6.65721 numMergedOcc 0
16 mol 61 unq 1 iso 0 dist 9.82315 7.49081 5.92705 12.4244 10.1513 6.72123 numMergedOcc 0
17 mol 61 unq 2 iso 0 dist 9.67403 4.90701 9.62468 11.0419 10.7369 6.65721 numMergedOcc 0
18 mol 61 unq 3 iso 0 dist 9.67403 4.90701 9.62468 8.46556 11.5608 6.72123 numMergedOcc 0
19 mol 61 unq 4 iso 0 dist 7.28917 16.7918 9.62468 17.6513 10.7369 6.65721 numMergedOcc 0
20 mol 61 unq 5 iso 0 dist 7.28917 16.7918 9.62468 18.1412 11.5608 6.72123 numMergedOcc 0
21 mol 73 unq 0 iso 0 dist 5.58346 4.69583 6.89722 11.0671 10.4716 9.96396 numMergedOcc 0
22 mol 73 unq 1 iso 0 dist 5.58346 4.69583 6.89722 6.18305 5.2774 6.19304 numMergedOcc 0
23 mol 73 unq 2 iso 0 dist 5.58346 4.69583 6.89722 13.2599 13.9156 8.70481 numMergedOcc 0
24 mol 73 unq 3 iso 0 dist 9.10386 15.7901 9.68526 11.0671 8.31041 9.38498 numMergedOcc 0
25 mol 73 unq 4 iso 0 dist 9.10386 4.69583 7.26679 11.0671 8.31041 9.96396 numMergedOcc 0
26 mol 73 unq 5 iso 0 dist 9.10386 4.69583 7.26679 6.18305 5.44275 6.19304 numMergedOcc 0
27 mol 73 unq 6 iso 0 dist 9.10386 4.69583 7.26679 13.2599 11.2674 8.70481 numMergedOcc 0
28 mol 73 unq 7 iso 0 dist 9.10386 15.8603 9.30776 11.0671 8.31041 9.75218 numMergedOcc 0
29 mol 73 unq 8 iso 0 dist 9.66744 8.59095 6.89722 17.4799 10.4716 9.96396 numMergedOcc 0
30 mol 73 unq 9 iso 0 dist 9.66744 8.59095 6.89722 12.9661 5.2774 6.19304 numMergedOcc 0
31 mol 73 unq 10 iso 0 dist 9.66744 8.59095 6.89722 10.1147 13.9156 8.70481 numMergedOcc 0
32 mol 92 unq 0 iso 0 dist 9.93688 4.71849 9.514 11.0291 11.8037 7.4729 numMergedOcc 0
33 mol 92 unq 1 iso 0 dist 9.88184 9.24395 9.514 16.1796 11.8037 7.4729 numMergedOcc 0
34 mol 92 unq 2 iso 0 dist 6.78043 7.17015 4.98104 13.8155 10.7572 7.4729 numMergedOcc 0
35 mol 92 unq 3 iso 0 dist 6.78043 7.17015 4.98104 11.9838 5.50764 6.82344 numMergedOcc 0
36 mol 92 unq 4 iso 0 dist 5.74364 4.52119 4.98104 11.8917 10.7572 7.4729 numMergedOcc 0
37 mol 92 unq 5 iso 0 dist 5.74364 4.52119 4.98104 9.79361 5.50764 6.82344 numMergedOcc 0
38 mol 101 unq 0 iso 0 dist 5.5199 4.50603 8.77773 5.22543 5.16122 6.57035 numMergedOcc 0
39 mol 102 unq 0 iso 0 dist 8.07962 8.58092 9.01767 11.1118 6.42572 7.36792 numMergedOcc 0
40 mol 102 unq 1 iso 0 dist 9.54857 8.58092 9.80678 11.1118 5.54551 7.36792 numMergedOcc 0
41 mol 102 unq 2 iso 0 dist 7.58908 12.5781 9.01767 12.0912 6.42572 7.36792 numMergedOcc 0
42 mol 102 unq 3 iso 0 dist 9.32058 12.5781 9.80678 12.0912 5.54551 7.36792 numMergedOcc 0
43 mol 109 unq 0 iso 0 dist 7.66832 9.47324 8.21889 8.73648 5.5332 7.34473 numMergedOcc 0
44 mol 109 unq 1 iso 0 dist 7.66832 4.93112 9.74643 8.73648 5.5332 8.58044 numMergedOcc 0
45 mol 109 unq 2 iso 0 dist 7.66832 4.48038 6.86702 8.73648 5.5332 9.97763 numMergedOcc 0
46 mol 109 unq 3 iso 0 dist 8.11083 12.7688 8.21889 12.2141 5.5332 7.34473 numMergedOcc 0
47 mol 109 unq 4 iso 0 dist 8.11083 10.5733 9.74643 12.2141 5.5332 8.58044 numMergedOcc 0
48 mol 109 unq 5 iso 0 dist 8.11083 4.76017 6.86702 12.2141 5.5332 9.97763 numMergedOcc 0
49 mol 117 unq 0 iso 0 dist 6.81489 10.0087 7.70533 12.479 6.29427 9.84395 numMergedOcc 0
50 mol 117 unq 1 iso 0 dist 6.81489 10.0087 7.70533 17.1533 14.3476 7.90328 numMergedOcc 0
51 mol 117 unq 2 iso 0 dist 9.33403 13.5681 9.85576 11.3462 10.4589 7.90328 numMergedOcc 0
52 mol 117 unq 3 iso 0 dist 9.33403 13.5681 9.85576 17.9437 14.2649 7.83136 numMergedOcc 0
53 mol 117 unq 4 iso 0 dist 9.33403 13.5681 9.85576 16.6362 9.53886 7.0603 numMergedOcc 0
54 mol 119 unq 0 iso 0 dist 6.67306 8.8283 9.42766 16.7151 14.0677 8.73993 numMergedOcc 0
55 mol 127 unq 0 iso 0 dist 8.88979 6.09267 8.40046 13.6355 9.75166 9.30299 numMergedOcc 0
56 mol 129 unq 0 iso 0 dist 8.63018 5.56946 6.29026 13.5311 11.5533 8.54584 numMergedOcc 0
57 mol 133 unq 0 iso 0 dist 6.85651 4.84607 8.84018 9.3894 8.00493 6.5107 numMergedOcc 0
58 mol 133 unq 1 iso 0 dist 9.21256 13.46 6.11955 9.84918 7.96098 6.80239 numMergedOcc 0
59 mol 133 unq 2 iso 0 dist 8.3243 13.7612 6.11955 11.3707 7.96098 6.80239 numMergedOcc 0
60 mol 133 unq 3 iso 0 dist 8.95239 12.9605 6.11955 11.8159 7.96098 6.80239 numMergedOcc 0
61 mol 133 unq 4 iso 0 dist 6.23615 4.64588 6.11955 5.82404 7.96098 6.80239 numMergedOcc 0
62 mol 133 unq 5 iso 0 dist 7.03858 11.981 8.84018 14.1938 8.00493 6.5107 numMergedOcc 0
63 mol 180 unq 0 iso 0 dist 5.43774 6.54937 8.44989 9.88732 9.76368 9.62337 numMergedOcc 0
64 mol 180 unq 1 iso 0 dist 8.31061 6.91082 8.44989 5.77949 9.76368 9.62337 numMergedOcc 0
65 mol 181 unq 0 iso 0 dist 4.96259 4.11061 6.00053 11.5719 11.1879 8.03334 numMergedOcc 0
66 mol 197 unq 0 iso 0 dist 5.79753 13.0113 8.64255 16.0185 11.8861 8.56633 numMergedOcc 0
67 mol 197 unq 1 iso 0 dist 7.56537 4.57437 8.64255 12.5442 11.8861 8.56633 numMergedOcc 0
68 mol 205 unq 0 iso 0 dist 6.09754 4.78067 8.43584 13.2374 12.4616 9.61492 numMergedOcc 0
69 mol 205 unq 1 iso 0 dist 6.09754 4.78067 8.43584 9.34594 10.6123 7.45763 numMergedOcc 0
70 mol 230 unq 0 iso 0 dist 6.61442 10.3251 8.43766 11.5522 7.07028 6.7547 numMergedOcc 0
71 mol 230 unq 1 iso 0 dist 7.10283 6.51645 8.43766 9.97386 7.07028 6.7547 numMergedOcc 0
72 mol 234 unq 0 iso 0 dist 9.36753 12.0816 5.89084 12.3151 4.74041 6.56247 numMergedOcc 0
73 mol 234 unq 1 iso 0 dist 9.36753 12.0816 5.89084 7.86368 6.16697 9.45496 numMergedOcc 0
74 mol 234 unq 2 iso 0 dist 9.36753 6.94762 8.47009 12.3151 4.74041 9.36357 numMergedOcc 0
75 mol 234 unq 3 iso 0 dist 9.36753 6.94762 8.47009 7.86368 6.16697 6.7625 numMergedOcc 0
76 mol 234 unq 4 iso 0 dist 4.90407 5.44171 5.00515 10.0587 5.16023 8.41436 numMergedOcc 0
77 mol 234 unq 5 iso 0 dist 4.90407 5.44171 5.00515 13.3065 10.2063 8.92474 numMergedOcc 0
78 mol 238 unq 0 iso 0 dist 9.46728 11.9383 6.83152 18.0919 10.8336 6.57393 numMergedOcc 0
79 mol 238 unq 1 iso 0 dist 9.46728 9.23693 5.24313 14.9617 12.1448 7.31233 numMergedOcc 0
80 mol 238 unq 2 iso 0 dist 9.91921 4.7157 9.31417 6.2365 6.62361 5.72887 numMergedOcc 0
81 mol 238 unq 3 iso 0 dist 8.20243 4.7157 5.56719 6.2365 5.96552 5.72887 numMergedOcc 0
82 mol 241 unq 0 iso 0 dist 8.15897 9.87799 9.72526 9.18476 4.86437 7.4631 numMergedOcc 0
83 mol 258 unq 0 iso 0 dist 9.4886 11.9201 5.81927 18.1487 9.49027 6.97229 numMergedOcc 0
84 mol 259 unq 0 iso 0 dist 5.98006 6.64729 6.77279 12.3391 7.55268 8.53687 numMergedOcc 0
85 mol 259 unq 1 iso 0 dist 5.98006 6.64729 6.77279 8.06771 5.71237 8.13497 numMergedOcc 0
86 mol 259 unq 2 iso 0 dist 5.98006 9.79538 9.58006 8.06771 5.71237 7.88519 numMergedOcc 0
87 mol 259 unq 3 iso 0 dist 5.98006 9.79538 9.58006 12.3795 9.10984 7.84554 numMergedOcc 0
88 mol 259 unq 4 iso 0 dist 5.98006 9.79538 9.58006 11.1503 11.8501 7.46176 numMergedOcc 0
89 mol 259 unq 5 iso 0 dist 5.98006 9.79538 9.58006 17.0226 13.9868 9.18903 numMergedOcc 0
90 mol 259 unq 6 iso 0 dist 5.22111 5.41945 7.93997 10.5892 14.8465 7.46176 numMergedOcc 0
91 mol 259 unq 7 iso 0 dist 8.53598 10.2837 7.93997 13.5637 14.8465 7.46176 numMergedOcc 0
92 mol 278 unq 0 iso 0 dist 6.83278 13.5373 9.82774 16.7479 10.5903 8.44326 numMergedOcc 0
