0 mol 0 unq 0 iso 0 dist 7.79297 11.7303 7.65806 16.4903 9.19007 9.64573 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 7.79297 11.7303 7.65806 13.9134 9.56794 6.05328 numMergedOcc 0
2 mol 1 unq 0 iso 0 dist 9.35554 5.99543 9.00903 10.9667 9.12196 7.4817 numMergedOcc 0
3 mol 7 unq 0 iso 0 dist 9.20552 15.1647 8.41585 6.49868 7.88043 10.2446 numMergedOcc 0
4 mol 7 unq 1 iso 0 dist 9.20552 15.1647 8.41585 8.07954 8.80762 12.3097 numMergedOcc 0
5 mol 14 unq 0 iso 0 dist 7.94714 11.2303 9.04767 4.47407 9.58855 10.6873 numMergedOcc 0
6 mol 18 unq 0 iso 0 dist 7.37356 7.426 9.51761 6.07208 7.55766 12.4713 numMergedOcc 0
7 mol 18 unq 1 iso 0 dist 7.37356 7.53082 7.3094 6.07208 7.55766 6.48196 numMergedOcc 0
8 mol 25 unq 0 iso 0 dist 8.94828 14.2406 7.57578 10.812 6.90155 9.36158 numMergedOcc 0
9 mol 25 unq 1 iso 0 dist 8.94828 15.6642 7.17969 10.812 6.90155 10.1525 numMergedOcc 0
10 mol 43 unq 0 iso 0 dist 6.84521 5.84171 5.73819 10.0977 8.44903 5.48048 numMergedOcc 0
11 mol 70 unq 0 iso 0 dist 9.49626 15.643 9.65964 6.85924 6.54023 9.03317 numMergedOcc 0
12 mol 85 unq 0 iso 0 dist 9.9795 9.53239 7.97049 11.5334 7.1589 6.37974 numMergedOcc 0
13 mol 85 unq 1 iso 0 dist 9.9795 13.0232 6.19965 11.5334 7.1589 5.08358 numMergedOcc 0
14 mol 98 unq 0 iso 0 dist 9.83528 12.3158 5.08437 5.90298 7.26086 7.32662 numMergedOcc 0
15 mol 98 unq 1 iso 0 dist 9.83528 15.1765 6.48948 5.90298 7.26086 13.4985 numMergedOcc 0
16 mol 98 unq 2 iso 0 dist 9.83528 8.06684 6.10456 5.90298 7.26086 6.934 numMergedOcc 0
17 mol 98 unq 3 iso 0 dist 7.54969 11.7493 5.08437 8.8736 7.26086 7.32662 numMergedOcc 0
18 mol 98 unq 4 iso 0 dist 7.54969 10.3366 6.48948 8.8736 7.26086 13.4985 numMergedOcc 0
19 mol 98 unq 5 iso 0 dist 7.54969 5.15322 6.10456 8.8736 7.26086 6.934 numMergedOcc 0
20 mol 109 unq 0 iso 0 dist 9.23803 6.32175 8.58044 9.05816 8.89913 5.54205 numMergedOcc 0
21 mol 109 unq 1 iso 0 dist 9.26438 5.68669 8.69985 12.3653 5.34214 9.14441 numMergedOcc 0
22 mol 109 unq 2 iso 0 dist 6.43255 6.80429 8.69985 5.55157 5.34214 9.14441 numMergedOcc 0
23 mol 109 unq 3 iso 0 dist 7.4389 12.3794 8.69985 3.56506 5.34214 9.14441 numMergedOcc 0
24 mol 112 unq 0 iso 0 dist 7.85583 4.38646 7.71338 11.1422 6.47042 10.0814 numMergedOcc 0
25 mol 112 unq 1 iso 0 dist 8.86938 4.9102 7.71338 13.5573 6.47042 10.0814 numMergedOcc 0
26 mol 114 unq 0 iso 0 dist 6.71345 6.49725 7.5732 6.51881 6.34525 11.128 numMergedOcc 0
27 mol 120 unq 0 iso 0 dist 5.06555 7.75534 8.75408 10.214 8.93905 7.27181 numMergedOcc 0
28 mol 120 unq 1 iso 0 dist 5.06555 5.61914 6.44653 10.214 8.93905 10.5192 numMergedOcc 0
29 mol 134 unq 0 iso 0 dist 4.9155 9.30817 6.54501 7.07077 5.53031 5.35679 numMergedOcc 0
30 mol 134 unq 1 iso 0 dist 4.9155 10.879 6.49416 7.07077 5.53031 8.46636 numMergedOcc 0
31 mol 134 unq 2 iso 0 dist 8.49987 6.47843 6.54501 5.92316 5.53031 5.35679 numMergedOcc 0
32 mol 134 unq 3 iso 0 dist 8.49987 10.9399 6.49416 5.92316 5.53031 8.46636 numMergedOcc 0
33 mol 134 unq 4 iso 0 dist 9.42271 6.16353 6.54501 10.7289 5.53031 5.35679 numMergedOcc 0
34 mol 134 unq 5 iso 0 dist 9.42271 7.07625 6.49416 10.7289 5.53031 8.46636 numMergedOcc 0
35 mol 142 unq 0 iso 0 dist 8.86346 16.7609 9.2313 7.78477 9.17106 12.6057 numMergedOcc 0
36 mol 142 unq 1 iso 0 dist 8.86346 13.5268 7.73169 7.78477 9.17106 8.38032 numMergedOcc 0
37 mol 142 unq 2 iso 0 dist 8.86346 12.1759 8.96657 7.78477 9.17106 8.16815 numMergedOcc 0
38 mol 142 unq 3 iso 0 dist 4.93681 12.8283 9.2313 6.74129 9.17106 12.6057 numMergedOcc 0
39 mol 142 unq 4 iso 0 dist 4.93681 10.1677 7.73169 6.74129 9.17106 8.38032 numMergedOcc 0
40 mol 142 unq 5 iso 0 dist 4.93681 10.0866 8.96657 6.74129 9.17106 8.16815 numMergedOcc 0
41 mol 178 unq 0 iso 0 dist 8.04723 14.4072 6.69288 5.24118 4.92088 10.1489 numMergedOcc 0
42 mol 178 unq 1 iso 0 dist 8.04723 13.0519 6.43573 5.24118 4.92088 8.27339 numMergedOcc 0
43 mol 178 unq 2 iso 0 dist 8.04723 10.5681 7.17202 5.24118 4.92088 9.79302 numMergedOcc 0
44 mol 178 unq 3 iso 0 dist 8.04723 9.1499 8.81551 5.24118 4.92088 8.65097 numMergedOcc 0
45 mol 181 unq 0 iso 0 dist 8.27794 4.89429 9.09537 8.07046 7.20392 5.93488 numMergedOcc 0
46 mol 186 unq 0 iso 0 dist 8.77347 6.05728 7.54065 6.2749 7.20574 8.90184 numMergedOcc 0
47 mol 210 unq 0 iso 0 dist 8.58471 10.3518 6.18308 5.35708 5.37446 9.59996 numMergedOcc 0
48 mol 214 unq 0 iso 0 dist 7.94344 7.31014 8.82096 6.27546 8.46327 10.2399 numMergedOcc 0
49 mol 220 unq 0 iso 0 dist 8.14644 12.2116 9.23153 6.53366 5.45036 6.17628 numMergedOcc 0
50 mol 220 unq 1 iso 0 dist 8.14644 12.2116 9.23153 9.80599 9.97586 14.0253 numMergedOcc 0
51 mol 220 unq 2 iso 0 dist 8.14644 12.2916 8.24498 6.53366 5.45036 10.4136 numMergedOcc 0
52 mol 220 unq 3 iso 0 dist 8.14644 12.2916 8.24498 9.80599 9.97586 6.20511 numMergedOcc 0
53 mol 232 unq 0 iso 0 dist 7.57253 9.29407 8.27212 14.1473 7.83711 8.25884 numMergedOcc 0
54 mol 238 unq 0 iso 0 dist 8.97461 10.4685 6.22714 11.3332 5.64181 10.216 numMergedOcc 0
55 mol 238 unq 1 iso 0 dist 8.97461 11.6506 7.31233 11.3332 5.64181 7.83352 numMergedOcc 0
56 mol 258 unq 0 iso 0 dist 9.2067 9.88911 6.42289 5.00301 7.99477 7.42673 numMergedOcc 0
57 mol 258 unq 1 iso 0 dist 9.2067 9.88911 6.42289 5.99575 7.86627 6.44209 numMergedOcc 0
58 mol 264 unq 0 iso 0 dist 6.65233 7.78423 9.17653 6.79049 6.14323 13.0621 numMergedOcc 0
59 mol 274 unq 0 iso 0 dist 9.13226 10.7073 7.56915 12.9095 9.56685 5.90436 numMergedOcc 0
60 mol 274 unq 1 iso 0 dist 9.13226 10.7073 7.56915 16.3353 8.49922 9.27829 numMergedOcc 0
61 mol 274 unq 2 iso 0 dist 9.13226 11.3302 8.49997 12.9095 9.56685 12.106 numMergedOcc 0
62 mol 274 unq 3 iso 0 dist 9.13226 11.3302 8.49997 16.3353 8.49922 12.9674 numMergedOcc 0
63 mol 294 unq 0 iso 0 dist 7.77765 9.62211 8.15665 5.94806 9.13907 5.25615 numMergedOcc 0
