0 mol 0 unq 0 iso 0 dist 7.20999 5.56011 7.65806 7.08361 6.91778 9.15528 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 7.32392 15.5277 9.60499 10.5949 6.7985 6.55304 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 7.32392 15.5277 9.60499 5.59295 6.44736 12.2869 numMergedOcc 0
3 mol 7 unq 2 iso 0 dist 7.15434 11.2706 7.10621 10.7937 8.72114 13.8829 numMergedOcc 0
4 mol 8 unq 0 iso 0 dist 4.92734 7.35767 8.96553 7.97177 8.53529 4.36226 numMergedOcc 0
5 mol 8 unq 1 iso 0 dist 6.4754 7.06064 9.62879 5.3298 7.18019 4.36226 numMergedOcc 0
6 mol 8 unq 2 iso 0 dist 6.57999 7.35767 9.62879 7.97177 7.18019 4.36226 numMergedOcc 0
7 mol 16 unq 0 iso 0 dist 8.4361 5.39064 4.86568 5.06195 6.62144 5.39089 numMergedOcc 0
8 mol 16 unq 1 iso 0 dist 8.59049 5.70228 4.7319 5.11248 6.72833 6.51133 numMergedOcc 0
9 mol 24 unq 0 iso 0 dist 8.20058 16.6906 8.86116 13.4836 8.60554 8.52463 numMergedOcc 0
10 mol 24 unq 1 iso 0 dist 8.20058 16.6906 8.86116 11.9824 8.44664 10.971 numMergedOcc 0
11 mol 24 unq 2 iso 0 dist 8.20058 16.6906 8.86116 9.04355 9.44691 13.4893 numMergedOcc 0
12 mol 24 unq 3 iso 0 dist 8.20058 14.9411 8.38394 13.4836 8.60554 12.3994 numMergedOcc 0
13 mol 24 unq 4 iso 0 dist 8.20058 14.9411 8.38394 11.9824 8.44664 5.30734 numMergedOcc 0
14 mol 24 unq 5 iso 0 dist 8.20058 14.9411 8.38394 9.04355 9.44691 12.505 numMergedOcc 0
15 mol 25 unq 0 iso 0 dist 6.23095 10.747 7.31767 12.1434 8.6653 5.64303 numMergedOcc 0
16 mol 25 unq 1 iso 0 dist 6.23095 11.5983 6.03987 12.1434 8.6653 5.82503 numMergedOcc 0
17 mol 25 unq 2 iso 0 dist 9.22151 4.96681 7.57578 6.63966 8.50222 6.08585 numMergedOcc 0
18 mol 25 unq 3 iso 0 dist 6.22122 4.96681 7.17969 6.63966 7.55264 6.08585 numMergedOcc 0
19 mol 41 unq 0 iso 0 dist 8.52313 8.25852 6.19529 8.06801 8.51663 8.94326 numMergedOcc 0
20 mol 52 unq 0 iso 0 dist 5.26018 12.8491 9.80098 5.09324 6.31696 11.6682 numMergedOcc 0
21 mol 52 unq 1 iso 0 dist 5.26018 10.3287 7.34143 5.09324 6.31696 6.66056 numMergedOcc 0
22 mol 52 unq 2 iso 0 dist 7.1203 5.92851 9.80098 10.4823 6.31696 11.6682 numMergedOcc 0
23 mol 52 unq 3 iso 0 dist 7.1203 6.03647 7.34143 10.4823 6.31696 6.66056 numMergedOcc 0
24 mol 56 unq 0 iso 0 dist 8.96238 7.43826 8.66265 4.936 7.16773 6.63327 numMergedOcc 0
25 mol 72 unq 0 iso 0 dist 6.68311 8.1124 8.8178 15.1138 9.27838 15.434 numMergedOcc 0
26 mol 72 unq 1 iso 0 dist 6.68311 15.0607 9.96708 15.1138 9.27838 11.6378 numMergedOcc 0
27 mol 75 unq 0 iso 0 dist 8.2147 13.5815 7.79912 5.78327 9.81166 11.4997 numMergedOcc 0
28 mol 98 unq 0 iso 0 dist 8.05602 12.0507 5.08437 11.0132 6.65501 4.4057 numMergedOcc 0
29 mol 98 unq 1 iso 0 dist 8.05602 4.72129 6.48948 11.0132 6.65501 7.42446 numMergedOcc 0
30 mol 98 unq 2 iso 0 dist 8.05602 12.0339 6.10456 11.0132 6.65501 9.67482 numMergedOcc 0
31 mol 100 unq 0 iso 0 dist 8.22596 5.11615 8.87449 6.21679 7.80975 7.97897 numMergedOcc 0
32 mol 100 unq 1 iso 0 dist 8.92577 6.89293 6.45675 5.48646 7.38135 7.11701 numMergedOcc 0
33 mol 100 unq 2 iso 0 dist 8.92577 12.0555 7.47343 5.48646 7.38135 11.2312 numMergedOcc 0
34 mol 100 unq 3 iso 0 dist 8.92577 12.7188 8.86688 5.48646 7.38135 7.79768 numMergedOcc 0
35 mol 100 unq 4 iso 0 dist 9.56324 15.1093 6.45675 11.0196 7.38135 7.11701 numMergedOcc 0
36 mol 100 unq 5 iso 0 dist 9.56324 16.8752 7.47343 11.0196 7.38135 11.2312 numMergedOcc 0
37 mol 100 unq 6 iso 0 dist 9.56324 13.0353 8.86688 11.0196 7.38135 7.79768 numMergedOcc 0
38 mol 100 unq 7 iso 0 dist 5.70279 5.92158 7.47343 10.838 8.30845 12.2861 numMergedOcc 0
39 mol 100 unq 8 iso 0 dist 5.70279 5.92158 7.47343 11.4018 8.76378 15.5385 numMergedOcc 0
40 mol 100 unq 9 iso 0 dist 5.70279 5.85449 6.65086 10.838 8.30845 5.80144 numMergedOcc 0
41 mol 100 unq 10 iso 0 dist 5.70279 5.85449 6.65086 11.4018 8.76378 12.3577 numMergedOcc 0
42 mol 100 unq 11 iso 0 dist 5.70279 7.68675 6.56369 10.838 8.30845 10.0456 numMergedOcc 0
43 mol 100 unq 12 iso 0 dist 5.70279 7.68675 6.56369 11.4018 8.76378 4.97045 numMergedOcc 0
44 mol 100 unq 13 iso 0 dist 5.70279 9.53223 9.30209 10.838 8.30845 6.70236 numMergedOcc 0
45 mol 100 unq 14 iso 0 dist 5.70279 9.53223 9.30209 11.4018 8.76378 10.7791 numMergedOcc 0
46 mol 109 unq 0 iso 0 dist 8.84523 14.7654 8.69985 10.8869 7.80523 7.74599 numMergedOcc 0
47 mol 113 unq 0 iso 0 dist 9.08014 7.41343 5.86073 10.3234 8.8822 10.1816 numMergedOcc 0
48 mol 113 unq 1 iso 0 dist 9.08014 7.41343 5.86073 9.4626 9.66219 8.42718 numMergedOcc 0
49 mol 119 unq 0 iso 0 dist 8.62648 4.6251 8.73993 9.25614 6.52773 7.20179 numMergedOcc 0
50 mol 119 unq 1 iso 0 dist 8.62648 4.6251 8.73993 5.53673 9.23858 9.89358 numMergedOcc 0
51 mol 125 unq 0 iso 0 dist 6.03557 5.14495 8.62381 6.46489 7.73435 7.43922 numMergedOcc 0
52 mol 125 unq 1 iso 0 dist 6.03557 5.14495 8.62381 8.27647 9.3778 11.0769 numMergedOcc 0
53 mol 126 unq 0 iso 0 dist 6.24392 5.50061 6.06638 5.23583 6.30546 6.0268 numMergedOcc 0
54 mol 129 unq 0 iso 0 dist 6.23966 5.16275 9.61051 6.47522 6.28565 6.30169 numMergedOcc 0
55 mol 129 unq 1 iso 0 dist 6.23966 5.16275 9.61051 5.85167 7.58957 5.68211 numMergedOcc 0
56 mol 129 unq 2 iso 0 dist 6.23966 6.65856 5.83384 6.47522 6.28565 4.55551 numMergedOcc 0
57 mol 129 unq 3 iso 0 dist 6.23966 6.65856 5.83384 5.85167 7.58957 10.5488 numMergedOcc 0
58 mol 131 unq 0 iso 0 dist 8.99949 11.3502 6.85062 10.5805 8.70296 14.2045 numMergedOcc 0
59 mol 131 unq 1 iso 0 dist 8.99949 11.3502 6.85062 8.98062 9.25558 5.09131 numMergedOcc 0
60 mol 133 unq 0 iso 0 dist 9.79004 10.0277 7.24514 13.2968 7.71248 4.34568 numMergedOcc 0
61 mol 133 unq 1 iso 0 dist 9.79004 7.33132 8.22656 13.2968 7.71248 10.6025 numMergedOcc 0
62 mol 134 unq 0 iso 0 dist 5.57904 7.41837 6.54501 12.4426 7.80532 7.41674 numMergedOcc 0
63 mol 134 unq 1 iso 0 dist 5.57904 6.50005 6.49416 12.4426 7.80532 9.87376 numMergedOcc 0
64 mol 155 unq 0 iso 0 dist 5.68636 7.92939 6.43582 5.52764 7.92304 5.50031 numMergedOcc 0
65 mol 156 unq 0 iso 0 dist 9.19499 5.66289 7.44554 5.02458 9.44367 5.4555 numMergedOcc 0
66 mol 156 unq 1 iso 0 dist 9.19499 5.66289 7.44554 15.8724 9.47433 11.9952 numMergedOcc 0
67 mol 156 unq 2 iso 0 dist 7.11647 5.59399 7.66148 5.02458 7.90267 6.03934 numMergedOcc 0
68 mol 156 unq 3 iso 0 dist 7.11647 5.66289 8.94056 5.02458 7.90267 5.4555 numMergedOcc 0
69 mol 181 unq 0 iso 0 dist 8.90247 5.114 9.1374 6.56225 6.2479 6.6251 numMergedOcc 0
70 mol 181 unq 1 iso 0 dist 8.90247 14.0828 8.03334 6.56225 6.2479 7.81713 numMergedOcc 0
71 mol 205 unq 0 iso 0 dist 6.15806 10.6362 7.26832 5.07333 5.44002 10.3603 numMergedOcc 0
72 mol 209 unq 0 iso 0 dist 6.14896 9.80484 7.56373 5.78532 6.85935 6.552 numMergedOcc 0
73 mol 209 unq 1 iso 0 dist 9.12289 11.2544 7.56373 4.84945 6.85935 6.552 numMergedOcc 0
74 mol 210 unq 0 iso 0 dist 8.71409 12.9212 6.18308 9.069 7.10826 5.87279 numMergedOcc 0
75 mol 222 unq 0 iso 0 dist 5.47561 10.6375 8.01589 10.3328 7.67576 10.3151 numMergedOcc 0
76 mol 222 unq 1 iso 0 dist 5.47561 10.6375 8.01589 15.0445 9.82371 8.52017 numMergedOcc 0
77 mol 222 unq 2 iso 0 dist 5.47561 5.39098 7.7699 10.3328 7.67576 7.81022 numMergedOcc 0
78 mol 222 unq 3 iso 0 dist 5.47561 5.39098 7.7699 15.0445 9.82371 15.7504 numMergedOcc 0
79 mol 222 unq 4 iso 0 dist 5.47561 5.60111 7.21333 10.3328 7.67576 7.75656 numMergedOcc 0
80 mol 222 unq 5 iso 0 dist 5.47561 5.60111 7.21333 15.0445 9.82371 16.0949 numMergedOcc 0
81 mol 229 unq 0 iso 0 dist 8.8557 5.65373 8.22528 10.4939 8.66332 6.65022 numMergedOcc 0
82 mol 231 unq 0 iso 0 dist 8.91036 10.613 7.37839 9.83598 6.98875 6.37275 numMergedOcc 0
83 mol 232 unq 0 iso 0 dist 9.95045 12.5761 8.27212 4.95971 9.05071 8.80479 numMergedOcc 0
84 mol 239 unq 0 iso 0 dist 8.61729 7.02319 6.16342 5.66996 8.84636 4.30299 numMergedOcc 0
85 mol 261 unq 0 iso 0 dist 8.17205 10.3933 8.02547 5.51738 8.43974 5.91643 numMergedOcc 0
86 mol 261 unq 1 iso 0 dist 8.17205 9.27298 8.43057 5.51738 8.43974 8.29908 numMergedOcc 0
87 mol 261 unq 2 iso 0 dist 8.17205 7.8624 6.05727 5.51738 8.43974 5.02383 numMergedOcc 0
88 mol 278 unq 0 iso 0 dist 8.83775 4.66992 8.44326 4.36832 8.00673 4.97614 numMergedOcc 0
