0 mol 2 unq 0 iso 0 dist 6.52386 12.506 6.35342 11.3269 9.57674 12.4493 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 8.57437 17.7278 9.85726 4.01354 8.94586 16.4469 numMergedOcc 0
2 mol 13 unq 0 iso 0 dist 5.4424 11.3605 7.97656 14.2898 9.57675 4.56335 numMergedOcc 0
3 mol 34 unq 0 iso 0 dist 9.18109 5.66535 6.87871 5.80438 6.40741 8.04976 numMergedOcc 0
4 mol 34 unq 1 iso 0 dist 9.18109 5.66535 6.87871 4.49056 9.31366 9.01679 numMergedOcc 0
5 mol 38 unq 0 iso 0 dist 9.94799 15.3073 9.23576 5.01416 9.18985 11.3707 numMergedOcc 0
6 mol 61 unq 0 iso 0 dist 9.67403 4.90701 9.62468 17.1697 9.32664 15.5028 numMergedOcc 0
7 mol 61 unq 1 iso 0 dist 7.28917 16.7918 9.62468 10.4547 9.32664 15.5028 numMergedOcc 0
8 mol 67 unq 0 iso 0 dist 6.23298 11.8103 9.9348 7.29309 9.30836 10.1218 numMergedOcc 0
9 mol 67 unq 1 iso 0 dist 6.23298 11.8103 9.9348 4.31746 6.58279 11.3953 numMergedOcc 0
10 mol 67 unq 2 iso 0 dist 9.85405 10.4042 9.9348 7.83316 9.30836 10.1218 numMergedOcc 0
11 mol 67 unq 3 iso 0 dist 9.85405 10.4042 9.9348 7.58981 6.58279 11.3953 numMergedOcc 0
12 mol 92 unq 0 iso 0 dist 9.93688 4.71849 9.514 11.6798 7.2131 8.55834 numMergedOcc 0
13 mol 92 unq 1 iso 0 dist 9.93688 4.71849 9.514 12.656 7.44343 9.50382 numMergedOcc 0
14 mol 92 unq 2 iso 0 dist 9.93688 4.32564 7.84888 11.6798 7.2131 8.51055 numMergedOcc 0
15 mol 92 unq 3 iso 0 dist 9.93688 4.32564 7.84888 12.656 7.44343 11.3858 numMergedOcc 0
16 mol 92 unq 4 iso 0 dist 9.88184 9.24395 9.514 11.0631 7.2131 8.55834 numMergedOcc 0
17 mol 92 unq 5 iso 0 dist 9.88184 9.24395 9.514 14.9487 7.44343 9.50382 numMergedOcc 0
18 mol 92 unq 6 iso 0 dist 9.88184 4.33359 7.84888 11.0631 7.2131 8.51055 numMergedOcc 0
19 mol 92 unq 7 iso 0 dist 9.88184 4.33359 7.84888 14.9487 7.44343 11.3858 numMergedOcc 0
20 mol 100 unq 0 iso 0 dist 8.52125 5.89399 6.78459 12.9454 9.95103 7.16919 numMergedOcc 0
21 mol 108 unq 0 iso 0 dist 5.52402 4.93762 7.29462 5.97199 6.80069 10.1805 numMergedOcc 0
22 mol 108 unq 1 iso 0 dist 6.79804 12.0414 7.29462 6.62194 6.80069 10.1805 numMergedOcc 0
23 mol 109 unq 0 iso 0 dist 9.79844 11.8455 6.31633 17.8562 9.10677 7.20706 numMergedOcc 0
24 mol 109 unq 1 iso 0 dist 9.79844 15.9176 7.21115 17.8562 9.10677 5.35728 numMergedOcc 0
25 mol 119 unq 0 iso 0 dist 5.28955 10.7421 9.93703 4.09788 6.13508 7.45148 numMergedOcc 0
26 mol 119 unq 1 iso 0 dist 9.44788 12.7349 8.53368 6.49348 5.58734 6.36778 numMergedOcc 0
27 mol 127 unq 0 iso 0 dist 8.88979 6.09267 8.40046 10.0555 8.70738 12.7065 numMergedOcc 0
28 mol 133 unq 0 iso 0 dist 6.85651 4.84607 8.84018 14.4497 8.70392 17.168 numMergedOcc 0
29 mol 133 unq 1 iso 0 dist 7.03858 11.981 8.84018 9.26708 8.70392 17.168 numMergedOcc 0
30 mol 143 unq 0 iso 0 dist 5.46716 9.79072 9.61081 6.3462 5.75595 10.0059 numMergedOcc 0
31 mol 143 unq 1 iso 0 dist 5.46716 5.80488 5.46922 6.3462 5.75595 8.57817 numMergedOcc 0
32 mol 147 unq 0 iso 0 dist 6.00651 10.4619 9.84695 7.38323 5.08863 7.92503 numMergedOcc 0
33 mol 147 unq 1 iso 0 dist 6.00651 6.91778 9.18866 7.38323 5.08863 8.93262 numMergedOcc 0
34 mol 162 unq 0 iso 0 dist 9.51731 6.46702 9.82249 7.15755 8.62413 4.20425 numMergedOcc 0
35 mol 181 unq 0 iso 0 dist 4.96259 4.11061 6.00053 3.97538 5.67112 7.16549 numMergedOcc 0
36 mol 183 unq 0 iso 0 dist 9.92635 10.0008 7.31181 8.96895 5.5781 6.59099 numMergedOcc 0
37 mol 183 unq 1 iso 0 dist 7.85507 9.95614 7.31181 6.57004 5.5781 6.59099 numMergedOcc 0
38 mol 185 unq 0 iso 0 dist 5.40655 5.77911 8.04591 6.26644 8.56136 8.51873 numMergedOcc 0
39 mol 205 unq 0 iso 0 dist 6.09754 4.78067 8.43584 8.35349 6.05667 11.6232 numMergedOcc 0
40 mol 227 unq 0 iso 0 dist 6.14732 10.9746 9.18675 4.21811 8.61546 10.8138 numMergedOcc 0
41 mol 227 unq 1 iso 0 dist 6.14732 10.9746 9.18675 11.032 7.17024 9.98177 numMergedOcc 0
42 mol 230 unq 0 iso 0 dist 8.74076 9.31615 9.54235 4.28309 7.48445 9.42172 numMergedOcc 0
43 mol 232 unq 0 iso 0 dist 6.11539 5.70808 8.68464 9.74489 6.67239 14.3553 numMergedOcc 0
44 mol 232 unq 1 iso 0 dist 6.11539 5.70808 8.68464 6.70882 6.23146 11.776 numMergedOcc 0
45 mol 232 unq 2 iso 0 dist 9.71082 4.86949 8.68464 16.2642 6.67239 14.3553 numMergedOcc 0
46 mol 232 unq 3 iso 0 dist 9.71082 4.86949 8.68464 14.3107 6.23146 11.776 numMergedOcc 0
47 mol 259 unq 0 iso 0 dist 5.98006 6.64729 6.77279 5.61261 9.69025 8.41846 numMergedOcc 0
48 mol 259 unq 1 iso 0 dist 5.98006 9.79538 9.58006 5.61261 9.69025 8.81835 numMergedOcc 0
49 mol 265 unq 0 iso 0 dist 6.98812 5.58514 9.59213 10.7881 7.49913 13.9888 numMergedOcc 0
50 mol 274 unq 0 iso 0 dist 8.14634 4.56913 8.66451 5.15747 9.02661 6.70925 numMergedOcc 0
51 mol 277 unq 0 iso 0 dist 7.52227 5.58906 6.60309 7.43437 7.88479 6.61689 numMergedOcc 0
52 mol 278 unq 0 iso 0 dist 6.83278 13.5373 9.82774 4.74121 8.20933 14.3412 numMergedOcc 0
53 mol 294 unq 0 iso 0 dist 5.27236 5.57606 6.47832 7.33654 6.1268 5.42688 numMergedOcc 0
