0 mol 8 unq 0 iso 0 dist 7.70793 14.4127 6.82379 15.7209 8.77457 4.94497 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 7.70793 12.428 6.24978 15.7209 8.77457 5.61772 numMergedOcc 0
2 mol 8 unq 2 iso 0 dist 7.70793 14.2248 9.66439 15.7209 8.77457 10.4848 numMergedOcc 0
3 mol 8 unq 3 iso 0 dist 7.70793 8.93161 7.3915 15.7209 8.77457 14.1378 numMergedOcc 0
4 mol 9 unq 0 iso 0 dist 6.02191 14.8353 9.27637 10.1574 8.55446 15.0681 numMergedOcc 0
5 mol 9 unq 1 iso 0 dist 6.02191 14.8353 9.27637 10.5873 6.59455 11.8296 numMergedOcc 0
6 mol 9 unq 2 iso 0 dist 6.02191 14.8353 9.27637 11.7145 5.71201 5.67536 numMergedOcc 0
7 mol 13 unq 0 iso 0 dist 7.56303 7.01217 5.78148 11.5415 7.98679 4.56335 numMergedOcc 0
8 mol 13 unq 1 iso 0 dist 7.56303 7.16388 6.26071 11.5415 7.98679 8.87621 numMergedOcc 0
9 mol 13 unq 2 iso 0 dist 7.56303 10.9053 8.43325 11.5415 7.98679 12.9999 numMergedOcc 0
10 mol 28 unq 0 iso 0 dist 6.69917 5.66714 7.28416 7.11602 7.40415 8.4285 numMergedOcc 0
11 mol 44 unq 0 iso 0 dist 5.06773 9.6925 7.52117 10.5918 7.03307 4.55437 numMergedOcc 0
12 mol 44 unq 1 iso 0 dist 5.06773 9.6925 7.52117 8.16312 7.25707 6.16231 numMergedOcc 0
13 mol 44 unq 2 iso 0 dist 8.2444 14.7948 7.52117 14.6127 7.03307 4.55437 numMergedOcc 0
14 mol 44 unq 3 iso 0 dist 8.2444 14.7948 7.52117 12.3178 7.25707 6.16231 numMergedOcc 0
15 mol 53 unq 0 iso 0 dist 7.61675 12.1831 7.09169 11.8798 7.75295 5.09224 numMergedOcc 0
16 mol 53 unq 1 iso 0 dist 9.64645 7.56636 7.09169 5.74596 7.75295 5.09224 numMergedOcc 0
17 mol 56 unq 0 iso 0 dist 8.58057 9.16445 6.77886 13.7728 6.99108 10.0962 numMergedOcc 0
18 mol 58 unq 0 iso 0 dist 9.57633 6.58144 7.27383 11.7158 6.62229 5.85698 numMergedOcc 0
19 mol 60 unq 0 iso 0 dist 8.04921 14.6942 9.96399 3.80331 4.65127 11.2415 numMergedOcc 0
20 mol 60 unq 1 iso 0 dist 8.04921 8.71681 7.55695 3.80331 4.65127 5.94827 numMergedOcc 0
21 mol 60 unq 2 iso 0 dist 8.04921 6.05904 8.82176 3.80331 4.65127 5.32257 numMergedOcc 0
22 mol 73 unq 0 iso 0 dist 9.26179 14.2704 8.03303 5.18957 7.62738 14.6243 numMergedOcc 0
23 mol 75 unq 0 iso 0 dist 7.4765 6.42739 7.9233 10.4154 7.6433 5.38908 numMergedOcc 0
24 mol 75 unq 1 iso 0 dist 5.86585 6.15143 7.9233 8.90421 7.6433 5.38908 numMergedOcc 0
25 mol 98 unq 0 iso 0 dist 7.56041 12.1948 5.88354 14.1479 6.62972 4.67519 numMergedOcc 0
26 mol 98 unq 1 iso 0 dist 7.56041 13.2435 7.89665 14.1479 6.62972 6.6076 numMergedOcc 0
27 mol 98 unq 2 iso 0 dist 7.56041 5.62353 5.39354 14.1479 6.62972 10.6513 numMergedOcc 0
28 mol 98 unq 3 iso 0 dist 7.56041 7.42934 5.74854 14.1479 6.62972 10.4027 numMergedOcc 0
29 mol 98 unq 4 iso 0 dist 7.56041 8.99607 8.76566 14.1479 6.62972 12.3568 numMergedOcc 0
30 mol 98 unq 5 iso 0 dist 7.56041 5.36136 8.8368 14.1479 6.62972 14.5457 numMergedOcc 0
31 mol 100 unq 0 iso 0 dist 8.96048 8.71142 7.12017 5.22561 9.5669 9.75737 numMergedOcc 0
32 mol 119 unq 0 iso 0 dist 9.89116 9.70986 7.77116 8.66162 8.8562 7.20179 numMergedOcc 0
33 mol 119 unq 1 iso 0 dist 9.89116 9.70986 7.77116 6.71925 7.91683 9.89358 numMergedOcc 0
34 mol 141 unq 0 iso 0 dist 6.78772 7.862 6.69515 10.1812 4.46777 10.1386 numMergedOcc 0
35 mol 141 unq 1 iso 0 dist 6.78772 7.862 6.69515 12.0778 6.94988 7.42649 numMergedOcc 0
36 mol 141 unq 2 iso 0 dist 6.78772 5.64577 7.86572 10.1812 4.46777 10.1432 numMergedOcc 0
37 mol 141 unq 3 iso 0 dist 6.78772 5.64577 7.86572 12.0778 6.94988 9.43674 numMergedOcc 0
38 mol 154 unq 0 iso 0 dist 7.77159 14.466 7.72144 10.6473 6.51014 5.27847 numMergedOcc 0
39 mol 158 unq 0 iso 0 dist 8.15524 14.6279 7.88319 13.3358 6.76055 6.4079 numMergedOcc 0
40 mol 158 unq 1 iso 0 dist 8.15524 14.6279 7.88319 14.2466 9.36343 4.25067 numMergedOcc 0
41 mol 194 unq 0 iso 0 dist 6.56609 7.87106 6.96521 8.86184 7.74683 5.43725 numMergedOcc 0
42 mol 203 unq 0 iso 0 dist 5.88567 5.1145 8.72527 5.85625 7.94843 10.7669 numMergedOcc 0
43 mol 203 unq 1 iso 0 dist 5.79502 4.57363 8.72527 11.0556 7.94843 10.7669 numMergedOcc 0
44 mol 205 unq 0 iso 0 dist 8.01082 4.87114 8.44861 10.038 9.17946 13.0658 numMergedOcc 0
45 mol 205 unq 1 iso 0 dist 8.01082 9.43922 5.60393 10.038 9.17946 14.4523 numMergedOcc 0
46 mol 248 unq 0 iso 0 dist 5.75155 6.63791 6.77954 10.2623 7.97135 4.30004 numMergedOcc 0
47 mol 261 unq 0 iso 0 dist 9.39571 6.42225 5.26434 12.1202 8.61563 7.39176 numMergedOcc 0
48 mol 261 unq 1 iso 0 dist 9.39571 11.0363 8.60026 12.1202 8.61563 12.8544 numMergedOcc 0
49 mol 277 unq 0 iso 0 dist 7.2551 5.61312 9.3936 6.74507 8.81717 4.50065 numMergedOcc 0
