0 mol 1 unq 0 iso 0 dist 5.87976 9.48433 6.35409 8.83387 4.93091 9.98747 numMergedOcc 0
1 mol 15 unq 0 iso 0 dist 8.0637 4.89563 5.69927 7.57076 8.00576 4.46295 numMergedOcc 0
2 mol 15 unq 1 iso 0 dist 7.87072 6.16274 4.74688 6.19695 4.47278 4.22652 numMergedOcc 0
3 mol 15 unq 2 iso 0 dist 7.87072 9.55181 4.41883 6.19695 4.47278 3.75721 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 8.58806 9.27448 7.15972 8.69224 10.1446 7.60393 numMergedOcc 0
5 mol 25 unq 1 iso 0 dist 8.58806 9.07927 12.1122 8.69224 10.1446 7.23535 numMergedOcc 0
6 mol 25 unq 2 iso 0 dist 8.58806 8.50987 14.3338 8.69224 10.1446 9.92243 numMergedOcc 0
7 mol 62 unq 0 iso 0 dist 6.49446 8.30291 11.1759 6.0827 6.13411 6.8858 numMergedOcc 0
8 mol 90 unq 0 iso 0 dist 8.91055 8.14057 5.36296 7.30934 7.8463 10.6242 numMergedOcc 0
9 mol 98 unq 0 iso 0 dist 4.3761 9.58693 8.91618 5.61418 9.39313 9.53244 numMergedOcc 0
10 mol 98 unq 1 iso 0 dist 4.3761 9.48388 12.3835 5.61418 9.39313 11.115 numMergedOcc 0
11 mol 98 unq 2 iso 0 dist 5.84583 9.58693 12.9994 5.61418 6.66668 9.53244 numMergedOcc 0
12 mol 98 unq 3 iso 0 dist 5.84583 9.48388 4.96747 5.61418 6.66668 11.115 numMergedOcc 0
13 mol 103 unq 0 iso 0 dist 8.8763 8.26309 9.45824 7.91691 13.4361 7.60664 numMergedOcc 0
14 mol 113 unq 0 iso 0 dist 9.04398 9.80191 4.38811 6.38269 8.81921 6.54263 numMergedOcc 0
15 mol 113 unq 1 iso 0 dist 9.04398 9.80191 4.38811 7.11196 6.384 3.92558 numMergedOcc 0
16 mol 120 unq 0 iso 0 dist 9.35529 9.41521 5.89379 8.31527 8.9188 5.61274 numMergedOcc 0
17 mol 120 unq 1 iso 0 dist 9.35529 9.41521 5.89379 7.64841 3.71884 3.35803 numMergedOcc 0
18 mol 131 unq 0 iso 0 dist 9.87066 6.44766 5.59449 9.77654 5.57327 3.84862 numMergedOcc 0
19 mol 135 unq 0 iso 0 dist 6.1777 8.24228 5.49259 6.08242 3.47015 6.02144 numMergedOcc 0
20 mol 135 unq 1 iso 0 dist 6.29701 9.13451 8.13139 5.60595 3.47015 10.9403 numMergedOcc 0
21 mol 135 unq 2 iso 0 dist 6.29701 9.171 5.88534 5.60595 3.47015 8.06169 numMergedOcc 0
22 mol 168 unq 0 iso 0 dist 8.80094 7.53748 13.1236 8.47439 15.207 4.07587 numMergedOcc 0
23 mol 168 unq 1 iso 0 dist 9.03681 7.53748 9.8022 8.47439 10.3454 4.07587 numMergedOcc 0
24 mol 171 unq 0 iso 0 dist 8.30819 8.68992 10.5731 8.00826 11.244 7.36886 numMergedOcc 0
25 mol 220 unq 0 iso 0 dist 9.22999 5.07968 5.38988 9.54857 3.95588 4.86965 numMergedOcc 0
26 mol 220 unq 1 iso 0 dist 9.22999 5.07968 5.38988 8.73456 5.73222 3.7812 numMergedOcc 0
27 mol 243 unq 0 iso 0 dist 9.6748 8.19458 16.7618 8.35328 3.79865 15.2258 numMergedOcc 0
28 mol 243 unq 1 iso 0 dist 9.6748 9.45133 16.2753 8.35328 3.79865 13.9912 numMergedOcc 0
29 mol 243 unq 2 iso 0 dist 8.71177 8.19458 11.0832 8.35328 8.58943 15.2258 numMergedOcc 0
30 mol 243 unq 3 iso 0 dist 8.71177 9.45133 9.97025 8.35328 8.58943 13.9912 numMergedOcc 0
31 mol 264 unq 0 iso 0 dist 5.03174 8.43682 5.21164 8.26228 5.51231 10.1415 numMergedOcc 0
32 mol 264 unq 1 iso 0 dist 5.03174 6.20796 6.12009 8.26228 5.51231 11.5587 numMergedOcc 0
33 mol 264 unq 2 iso 0 dist 9.51483 9.82685 7.46632 9.05194 4.95134 10.4585 numMergedOcc 0
34 mol 264 unq 3 iso 0 dist 9.51483 9.82685 7.46632 9.02526 4.79249 8.25406 numMergedOcc 0
35 mol 292 unq 0 iso 0 dist 6.84909 6.02089 9.83514 7.61675 8.93255 6.44735 numMergedOcc 0
36 mol 292 unq 1 iso 0 dist 6.84909 6.87804 8.04474 7.61675 8.93255 9.12345 numMergedOcc 0
37 mol 292 unq 2 iso 0 dist 6.38051 6.07571 9.00118 4.97488 5.55248 7.22011 numMergedOcc 0
