0 mol 1 unq 0 iso 0 dist 9.55106 5.42625 9.12196 5.0634 7.73435 7.94662 numMergedOcc 0
1 mol 28 unq 0 iso 0 dist 5.32719 7.26052 7.28416 8.0641 9.72965 4.74049 numMergedOcc 0
2 mol 28 unq 1 iso 0 dist 5.32719 7.26052 7.28416 10.6532 5.63315 10.2179 numMergedOcc 0
3 mol 28 unq 2 iso 0 dist 5.32719 7.26052 7.28416 12.9204 9.8465 7.01194 numMergedOcc 0
4 mol 28 unq 3 iso 0 dist 7.03702 7.36654 7.28416 5.53358 9.72965 4.74049 numMergedOcc 0
5 mol 28 unq 4 iso 0 dist 7.03702 7.36654 7.28416 9.79971 5.63315 10.2179 numMergedOcc 0
6 mol 28 unq 5 iso 0 dist 7.03702 7.36654 7.28416 11.7809 9.8465 7.01194 numMergedOcc 0
7 mol 55 unq 0 iso 0 dist 9.44455 7.00569 9.78051 6.75104 6.13181 4.97078 numMergedOcc 0
8 mol 56 unq 0 iso 0 dist 9.78177 18.2661 8.63486 10.8062 6.91393 12.8132 numMergedOcc 0
9 mol 56 unq 1 iso 0 dist 9.78177 18.2661 8.63486 5.59813 8.40038 16.7219 numMergedOcc 0
10 mol 56 unq 2 iso 0 dist 7.03635 10.6193 8.63486 8.3373 6.91393 12.8132 numMergedOcc 0
11 mol 56 unq 3 iso 0 dist 7.03635 10.6193 8.63486 10.2023 8.40038 16.7219 numMergedOcc 0
12 mol 73 unq 0 iso 0 dist 8.39494 5.4527 8.03303 9.06936 8.58543 8.92736 numMergedOcc 0
13 mol 92 unq 0 iso 0 dist 6.40964 9.40813 8.65802 9.28233 8.03028 12.1157 numMergedOcc 0
14 mol 92 unq 1 iso 0 dist 6.40964 9.40813 8.65802 11.1606 7.39754 7.23437 numMergedOcc 0
15 mol 93 unq 0 iso 0 dist 8.16531 14.5206 9.81831 4.55916 5.51624 11.6865 numMergedOcc 0
16 mol 93 unq 1 iso 0 dist 8.16531 14.5206 9.81831 15.9068 7.8674 12.2598 numMergedOcc 0
17 mol 93 unq 2 iso 0 dist 8.16531 10.2104 9.12858 4.55916 5.51624 7.64463 numMergedOcc 0
18 mol 93 unq 3 iso 0 dist 8.16531 10.2104 9.12858 15.9068 7.8674 14.8533 numMergedOcc 0
19 mol 93 unq 4 iso 0 dist 8.16531 12.7325 9.4523 4.55916 5.51624 8.29171 numMergedOcc 0
20 mol 93 unq 5 iso 0 dist 8.16531 12.7325 9.4523 15.9068 7.8674 12.7936 numMergedOcc 0
21 mol 93 unq 6 iso 0 dist 8.98593 10.145 9.81831 13.8162 5.51624 11.6865 numMergedOcc 0
22 mol 93 unq 7 iso 0 dist 8.98593 10.145 9.81831 8.93352 7.8674 12.2598 numMergedOcc 0
23 mol 93 unq 8 iso 0 dist 8.98593 13.574 9.12858 13.8162 5.51624 7.64463 numMergedOcc 0
24 mol 93 unq 9 iso 0 dist 8.98593 13.574 9.12858 8.93352 7.8674 14.8533 numMergedOcc 0
25 mol 93 unq 10 iso 0 dist 8.98593 16.236 9.4523 13.8162 5.51624 8.29171 numMergedOcc 0
26 mol 93 unq 11 iso 0 dist 8.98593 16.236 9.4523 8.93352 7.8674 12.7936 numMergedOcc 0
27 mol 109 unq 0 iso 0 dist 8.71813 9.09837 8.67766 5.71872 9.92553 11.8348 numMergedOcc 0
28 mol 109 unq 1 iso 0 dist 8.71813 10.9676 8.0831 5.71872 9.92553 15.0307 numMergedOcc 0
29 mol 140 unq 0 iso 0 dist 9.38985 6.69824 8.64368 7.15526 5.39314 5.11372 numMergedOcc 0
30 mol 140 unq 1 iso 0 dist 9.38985 6.69824 8.64368 6.48195 5.3573 4.46582 numMergedOcc 0
31 mol 141 unq 0 iso 0 dist 8.02258 14.4768 6.69515 10.8234 8.26172 9.76015 numMergedOcc 0
32 mol 141 unq 1 iso 0 dist 8.02258 13.0477 7.86572 10.8234 8.26172 8.24418 numMergedOcc 0
33 mol 152 unq 0 iso 0 dist 9.3516 10.5062 8.35555 7.96634 8.60521 7.78913 numMergedOcc 0
34 mol 152 unq 1 iso 0 dist 9.3516 10.5062 8.35555 5.35395 6.39031 5.70788 numMergedOcc 0
35 mol 162 unq 0 iso 0 dist 8.6792 6.22059 6.20182 12.783 8.53374 6.69868 numMergedOcc 0
36 mol 171 unq 0 iso 0 dist 5.14185 5.09291 9.11712 9.27839 9.75627 8.26419 numMergedOcc 0
37 mol 175 unq 0 iso 0 dist 9.02096 13.6066 8.0154 9.412 7.32419 12.3408 numMergedOcc 0
38 mol 175 unq 1 iso 0 dist 9.02096 13.6066 8.0154 11.9733 8.31961 8.68081 numMergedOcc 0
39 mol 184 unq 0 iso 0 dist 9.66132 5.35732 8.77887 6.55873 9.05835 5.16512 numMergedOcc 0
40 mol 218 unq 0 iso 0 dist 5.8679 7.34507 8.86175 11.3148 9.06334 9.46742 numMergedOcc 0
41 mol 218 unq 1 iso 0 dist 5.8679 4.79566 6.29511 11.3148 9.06334 11.438 numMergedOcc 0
42 mol 235 unq 0 iso 0 dist 9.49829 5.01259 6.39158 5.68592 9.81305 5.72331 numMergedOcc 0
43 mol 235 unq 1 iso 0 dist 9.49829 5.01259 6.39158 10.4991 6.89118 8.33772 numMergedOcc 0
44 mol 235 unq 2 iso 0 dist 9.49829 15.1887 7.75722 5.68592 9.81305 12.6437 numMergedOcc 0
45 mol 235 unq 3 iso 0 dist 9.49829 15.1887 7.75722 10.4991 6.89118 5.70265 numMergedOcc 0
46 mol 237 unq 0 iso 0 dist 6.32364 12.2535 9.4811 12.7836 7.31113 6.46131 numMergedOcc 0
47 mol 237 unq 1 iso 0 dist 6.32364 12.2535 9.4811 12.1471 8.10263 6.89616 numMergedOcc 0
48 mol 237 unq 2 iso 0 dist 6.32364 12.2535 9.4811 6.31546 6.45845 7.36499 numMergedOcc 0
49 mol 237 unq 3 iso 0 dist 6.32364 12.2535 9.4811 9.50893 9.53139 10.2142 numMergedOcc 0
50 mol 237 unq 4 iso 0 dist 6.32364 5.61566 6.50471 12.7836 7.31113 9.59927 numMergedOcc 0
51 mol 237 unq 5 iso 0 dist 6.32364 5.61566 6.50471 12.1471 8.10263 10.7975 numMergedOcc 0
52 mol 237 unq 6 iso 0 dist 6.32364 5.61566 6.50471 6.31546 6.45845 5.63225 numMergedOcc 0
53 mol 237 unq 7 iso 0 dist 6.32364 5.61566 6.50471 9.50893 9.53139 5.12181 numMergedOcc 0
54 mol 237 unq 8 iso 0 dist 7.61091 12.5237 7.42587 12.7836 9.84466 13.1083 numMergedOcc 0
55 mol 237 unq 9 iso 0 dist 7.61091 12.5237 7.42587 12.1471 6.16557 6.23145 numMergedOcc 0
56 mol 237 unq 10 iso 0 dist 7.61091 12.5237 7.42587 6.31546 5.4813 7.11441 numMergedOcc 0
57 mol 240 unq 0 iso 0 dist 8.67485 5.36005 9.47583 5.48054 9.53915 10.6074 numMergedOcc 0
58 mol 240 unq 1 iso 0 dist 8.67485 4.4564 8.44909 5.48054 9.53915 9.23135 numMergedOcc 0
59 mol 258 unq 0 iso 0 dist 8.35413 5.38982 6.70815 10.2978 6.47194 6.6525 numMergedOcc 0
60 mol 258 unq 1 iso 0 dist 8.35413 12.3699 7.99477 10.2978 6.47194 5.27959 numMergedOcc 0
