0 mol 28 unq 0 iso 0 dist 5.9948 6.76158 11.7233 4.3475 8.76224 8.53424 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 5.9948 7.423 13.0183 4.3475 8.76224 7.08766 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 5.9948 5.89257 10.9699 4.3475 8.76224 4.82199 numMergedOcc 0
3 mol 46 unq 0 iso 0 dist 7.19406 7.12713 9.83606 4.64633 10.0975 3.77542 numMergedOcc 0
4 mol 46 unq 1 iso 0 dist 7.19406 7.12713 9.83606 13.8401 19.2442 9.97314 numMergedOcc 0
5 mol 53 unq 0 iso 0 dist 7.6912 7.03969 3.43614 4.54851 10.7387 8.88512 numMergedOcc 0
6 mol 62 unq 0 iso 0 dist 6.49446 6.0827 6.13411 5.4275 7.25138 4.46067 numMergedOcc 0
7 mol 76 unq 0 iso 0 dist 9.0101 8.26805 9.68005 6.27527 6.46582 7.66068 numMergedOcc 0
8 mol 76 unq 1 iso 0 dist 9.0101 9.68577 14.6547 6.27527 6.46582 9.5043 numMergedOcc 0
9 mol 90 unq 0 iso 0 dist 8.91055 7.30934 7.8463 4.3421 10.6901 5.24346 numMergedOcc 0
10 mol 98 unq 0 iso 0 dist 6.31509 5.91023 4.48773 5.90092 9.68556 6.5816 numMergedOcc 0
11 mol 98 unq 1 iso 0 dist 6.14782 5.91023 3.8493 5.90092 9.23905 6.5816 numMergedOcc 0
12 mol 98 unq 2 iso 0 dist 8.49806 5.91023 3.78499 5.90092 8.73928 6.5816 numMergedOcc 0
13 mol 113 unq 0 iso 0 dist 6.28645 9.00481 7.1034 9.83939 11.0815 5.31126 numMergedOcc 0
14 mol 113 unq 1 iso 0 dist 6.28645 9.00481 7.1034 9.2752 11.8871 7.16619 numMergedOcc 0
15 mol 113 unq 2 iso 0 dist 9.04398 6.38269 8.81921 10.3017 12.9249 5.31126 numMergedOcc 0
16 mol 113 unq 3 iso 0 dist 9.04398 6.38269 8.81921 10.3632 12.1329 4.49669 numMergedOcc 0
17 mol 113 unq 4 iso 0 dist 9.04398 6.38269 8.81921 9.86085 13.6638 6.00221 numMergedOcc 0
18 mol 113 unq 5 iso 0 dist 9.04398 7.11196 6.384 10.3017 12.9249 7.16619 numMergedOcc 0
19 mol 113 unq 6 iso 0 dist 9.04398 7.11196 6.384 10.3632 12.1329 5.88896 numMergedOcc 0
20 mol 120 unq 0 iso 0 dist 9.35529 8.31527 8.9188 5.79975 9.16089 7.84207 numMergedOcc 0
21 mol 120 unq 1 iso 0 dist 9.35529 8.31527 8.9188 12.8646 14.6365 8.56947 numMergedOcc 0
22 mol 120 unq 2 iso 0 dist 9.35529 7.64841 3.71884 5.37018 9.58434 9.31385 numMergedOcc 0
23 mol 120 unq 3 iso 0 dist 9.35529 7.64841 3.71884 5.79975 9.16089 6.98791 numMergedOcc 0
24 mol 168 unq 0 iso 0 dist 8.80094 8.47439 15.207 4.18108 10.4746 5.28353 numMergedOcc 0
25 mol 168 unq 1 iso 0 dist 9.03681 8.47439 10.3454 4.18108 10.6876 5.28353 numMergedOcc 0
26 mol 169 unq 0 iso 0 dist 6.57161 9.3206 7.16323 9.93901 10.9108 5.10589 numMergedOcc 0
27 mol 176 unq 0 iso 0 dist 6.55106 6.32254 3.58164 4.03856 10.0916 8.65645 numMergedOcc 0
28 mol 176 unq 1 iso 0 dist 6.55106 6.32254 3.58164 5.25264 7.26558 6.85902 numMergedOcc 0
29 mol 176 unq 2 iso 0 dist 8.08891 8.89556 3.58164 6.94233 10.0916 8.65645 numMergedOcc 0
30 mol 176 unq 3 iso 0 dist 8.08891 8.89556 3.58164 3.97245 7.26558 6.85902 numMergedOcc 0
31 mol 186 unq 0 iso 0 dist 9.75853 7.82717 3.42324 4.32488 7.69952 4.87942 numMergedOcc 0
32 mol 186 unq 1 iso 0 dist 9.75853 8.19926 8.26669 4.32488 7.69952 7.25595 numMergedOcc 0
33 mol 186 unq 2 iso 0 dist 9.75853 8.19926 8.26669 12.1543 17.7447 9.94825 numMergedOcc 0
34 mol 225 unq 0 iso 0 dist 9.60654 7.22151 3.90226 3.64687 11.5517 9.54529 numMergedOcc 0
35 mol 225 unq 1 iso 0 dist 7.11262 7.22151 6.59432 3.64687 9.64364 9.54529 numMergedOcc 0
36 mol 243 unq 0 iso 0 dist 9.6748 8.35328 3.79865 6.56644 6.46793 4.55853 numMergedOcc 0
37 mol 243 unq 1 iso 0 dist 8.71177 8.35328 8.58943 6.56644 11.1891 4.55853 numMergedOcc 0
38 mol 260 unq 0 iso 0 dist 4.76689 7.22473 3.48905 7.91474 9.46576 8.62655 numMergedOcc 0
39 mol 260 unq 1 iso 0 dist 4.76689 6.02628 3.43711 5.30931 7.88108 7.04263 numMergedOcc 0
40 mol 260 unq 2 iso 0 dist 7.26455 7.22473 7.46252 7.91474 11.9193 8.62655 numMergedOcc 0
41 mol 260 unq 3 iso 0 dist 7.26455 6.02628 7.63469 5.30931 12.0301 7.04263 numMergedOcc 0
42 mol 260 unq 4 iso 0 dist 8.79012 7.13397 3.48905 4.38276 9.46576 8.62655 numMergedOcc 0
43 mol 260 unq 5 iso 0 dist 8.79012 5.33278 8.84611 8.90225 7.88108 6.48099 numMergedOcc 0
44 mol 266 unq 0 iso 0 dist 9.477 6.9943 3.87565 4.58167 7.93375 6.96692 numMergedOcc 0
45 mol 266 unq 1 iso 0 dist 9.477 7.36685 9.25882 7.98379 14.6863 7.8598 numMergedOcc 0
46 mol 266 unq 2 iso 0 dist 9.477 7.36685 9.25882 4.58167 7.93375 8.25286 numMergedOcc 0
47 mol 266 unq 3 iso 0 dist 9.477 9.03099 12.1357 7.98379 14.6863 7.80711 numMergedOcc 0
48 mol 266 unq 4 iso 0 dist 9.477 9.03099 12.1357 4.58167 7.93375 9.9965 numMergedOcc 0
49 mol 292 unq 0 iso 0 dist 6.38051 4.97488 5.55248 4.34603 9.95781 8.07775 numMergedOcc 0
