0 mol 0 unq 0 iso 0 dist 7.79297 11.7303 7.65806 6.73401 9.67081 8.29174 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 9.20552 15.1647 8.41585 8.16305 7.78327 13.5229 numMergedOcc 0
2 mol 11 unq 0 iso 0 dist 6.49709 5.51815 4.61088 4.4067 8.68293 7.28643 numMergedOcc 0
3 mol 11 unq 1 iso 0 dist 6.49709 5.51815 4.61088 13.2938 6.84216 9.68636 numMergedOcc 0
4 mol 41 unq 0 iso 0 dist 5.36895 5.07641 7.99312 6.85618 9.17982 4.11117 numMergedOcc 0
5 mol 41 unq 1 iso 0 dist 5.36895 5.07641 7.99312 8.25624 9.62869 4.77073 numMergedOcc 0
6 mol 41 unq 2 iso 0 dist 5.36895 5.07641 7.99312 5.36021 6.40219 6.69486 numMergedOcc 0
7 mol 41 unq 3 iso 0 dist 5.36895 8.54745 8.2183 6.85618 9.17982 4.81484 numMergedOcc 0
8 mol 41 unq 4 iso 0 dist 5.36895 8.54745 8.2183 8.25624 9.62869 7.03449 numMergedOcc 0
9 mol 41 unq 5 iso 0 dist 5.36895 8.54745 8.2183 5.36021 6.40219 7.02983 numMergedOcc 0
10 mol 43 unq 0 iso 0 dist 8.06275 5.5249 8.80331 7.62357 9.02471 12.6657 numMergedOcc 0
11 mol 43 unq 1 iso 0 dist 8.06275 10.4413 6.20293 7.62357 9.02471 14.0654 numMergedOcc 0
12 mol 43 unq 2 iso 0 dist 8.90024 13.9129 8.80331 16.9091 9.02471 12.6657 numMergedOcc 0
13 mol 43 unq 3 iso 0 dist 8.90024 5.84171 6.20293 16.9091 9.02471 14.0654 numMergedOcc 0
14 mol 72 unq 0 iso 0 dist 9.43143 10.5786 8.8178 10.2533 4.86198 5.21565 numMergedOcc 0
15 mol 72 unq 1 iso 0 dist 9.43143 16.2349 9.96708 10.2533 4.86198 10.7434 numMergedOcc 0
16 mol 78 unq 0 iso 0 dist 9.29446 11.2307 7.9245 13.5358 7.69072 3.46486 numMergedOcc 0
17 mol 95 unq 0 iso 0 dist 7.90775 4.16047 9.03572 6.56529 7.51733 4.73066 numMergedOcc 0
18 mol 98 unq 0 iso 0 dist 9.83528 12.3158 5.08437 11.4714 7.92856 8.29813 numMergedOcc 0
19 mol 98 unq 1 iso 0 dist 9.83528 15.1765 6.48948 11.4714 7.92856 13.2057 numMergedOcc 0
20 mol 98 unq 2 iso 0 dist 9.83528 8.06684 6.10456 11.4714 7.92856 12.7473 numMergedOcc 0
21 mol 98 unq 3 iso 0 dist 7.54969 11.7493 5.08437 12.9689 7.92856 8.29813 numMergedOcc 0
22 mol 98 unq 4 iso 0 dist 7.54969 10.3366 6.48948 12.9689 7.92856 13.2057 numMergedOcc 0
23 mol 98 unq 5 iso 0 dist 7.54969 5.15322 6.10456 12.9689 7.92856 12.7473 numMergedOcc 0
24 mol 113 unq 0 iso 0 dist 9.70016 13.2553 5.86073 13.586 9.59585 13.0914 numMergedOcc 0
25 mol 113 unq 1 iso 0 dist 9.70016 13.2553 5.86073 5.90637 9.7073 12.5818 numMergedOcc 0
26 mol 114 unq 0 iso 0 dist 6.71345 6.49725 7.5732 11.5242 9.93438 6.25685 numMergedOcc 0
27 mol 120 unq 0 iso 0 dist 5.06555 7.75534 8.75408 8.14689 6.42623 5.6295 numMergedOcc 0
28 mol 120 unq 1 iso 0 dist 5.06555 7.75534 8.75408 5.74365 8.95899 8.97962 numMergedOcc 0
29 mol 120 unq 2 iso 0 dist 5.06555 5.61914 6.44653 8.14689 6.42623 3.824 numMergedOcc 0
30 mol 120 unq 3 iso 0 dist 5.06555 5.61914 6.44653 5.74365 8.95899 4.96885 numMergedOcc 0
31 mol 122 unq 0 iso 0 dist 8.47907 9.75696 8.37808 12.1473 4.42563 7.90729 numMergedOcc 0
32 mol 143 unq 0 iso 0 dist 7.73769 7.36837 5.99315 11.099 8.64905 6.75249 numMergedOcc 0
33 mol 152 unq 0 iso 0 dist 8.34839 5.65129 8.56324 14.1262 9.00072 12.2243 numMergedOcc 0
34 mol 152 unq 1 iso 0 dist 8.34839 10.5295 6.70283 14.1262 9.00072 4.73288 numMergedOcc 0
35 mol 152 unq 2 iso 0 dist 8.34839 10.7929 7.16148 14.1262 9.00072 4.70284 numMergedOcc 0
36 mol 167 unq 0 iso 0 dist 6.53913 12.4033 9.87651 5.60897 5.36671 12.8624 numMergedOcc 0
37 mol 169 unq 0 iso 0 dist 6.28961 5.3864 8.49164 12.9917 9.37946 17.056 numMergedOcc 0
38 mol 169 unq 1 iso 0 dist 6.28961 5.3864 8.49164 12.2955 9.13646 13.8168 numMergedOcc 0
39 mol 169 unq 2 iso 0 dist 6.28961 5.3864 8.49164 11.6543 8.34216 11.1511 numMergedOcc 0
40 mol 178 unq 0 iso 0 dist 8.04723 14.4072 6.69288 12.3914 4.72821 4.69387 numMergedOcc 0
41 mol 178 unq 1 iso 0 dist 8.04723 13.0519 6.43573 12.3914 4.72821 3.70233 numMergedOcc 0
42 mol 178 unq 2 iso 0 dist 8.04723 10.5681 7.17202 12.3914 4.72821 7.39705 numMergedOcc 0
43 mol 178 unq 3 iso 0 dist 8.04723 9.1499 8.81551 12.3914 4.72821 9.77268 numMergedOcc 0
44 mol 205 unq 0 iso 0 dist 8.57514 5.56395 9.61492 13.7017 9.31158 10.8636 numMergedOcc 0
45 mol 205 unq 1 iso 0 dist 8.57514 12.397 7.45763 13.7017 9.31158 5.42503 numMergedOcc 0
46 mol 205 unq 2 iso 0 dist 6.11505 9.35174 9.61492 13.9601 9.31158 10.8636 numMergedOcc 0
47 mol 205 unq 3 iso 0 dist 6.11505 11.3225 7.45763 13.9601 9.31158 5.42503 numMergedOcc 0
48 mol 210 unq 0 iso 0 dist 8.58471 10.3518 6.18308 8.19655 6.85824 4.29623 numMergedOcc 0
49 mol 214 unq 0 iso 0 dist 7.94344 7.31014 8.82096 10.313 9.06459 4.15355 numMergedOcc 0
50 mol 231 unq 0 iso 0 dist 6.02527 6.68357 7.37839 11.6594 9.9868 16.456 numMergedOcc 0
51 mol 231 unq 1 iso 0 dist 6.02527 6.68357 7.37839 7.54254 7.3268 6.63423 numMergedOcc 0
52 mol 231 unq 2 iso 0 dist 6.02527 7.6832 8.40182 11.6594 9.9868 17.7601 numMergedOcc 0
53 mol 231 unq 3 iso 0 dist 6.02527 7.6832 8.40182 7.54254 7.3268 10.3815 numMergedOcc 0
54 mol 232 unq 0 iso 0 dist 7.57253 9.29407 8.27212 11.393 8.25985 4.04428 numMergedOcc 0
55 mol 232 unq 1 iso 0 dist 7.57253 9.29407 8.27212 7.05941 9.27788 4.22149 numMergedOcc 0
56 mol 235 unq 0 iso 0 dist 7.8128 5.49043 5.4638 9.83176 8.08965 4.75609 numMergedOcc 0
57 mol 239 unq 0 iso 0 dist 8.82778 11.4665 6.16342 10.7268 4.43499 4.32238 numMergedOcc 0
58 mol 274 unq 0 iso 0 dist 9.13226 10.7073 7.56915 8.82131 9.83622 4.24652 numMergedOcc 0
59 mol 274 unq 1 iso 0 dist 9.13226 11.3302 8.49997 8.82131 9.83622 7.38951 numMergedOcc 0
60 mol 277 unq 0 iso 0 dist 7.23956 15.6875 9.7748 9.7252 4.9764 11.8607 numMergedOcc 0
61 mol 277 unq 1 iso 0 dist 7.23956 15.6875 9.7748 10.5201 6.36559 10.9137 numMergedOcc 0
