0 mol 38 unq 0 iso 0 dist 9.19165 7.68478 5.08577 5.64331 10.9308 6.87122 numMergedOcc 0
1 mol 58 unq 0 iso 0 dist 5.38524 7.4785 5.77163 5.47421 8.69057 6.39747 numMergedOcc 0
2 mol 58 unq 1 iso 0 dist 8.69057 6.39747 5.77163 5.47421 5.38524 7.4785 numMergedOcc 0
3 mol 58 unq 2 iso 0 dist 8.96727 7.17488 10.5853 5.35073 13.3281 9.23438 numMergedOcc 0
4 mol 58 unq 3 iso 0 dist 8.96727 7.17488 10.5853 8.62958 14.4498 6.79356 numMergedOcc 0
5 mol 58 unq 4 iso 0 dist 8.01308 7.17488 5.11422 5.35073 11.5155 9.23438 numMergedOcc 0
6 mol 58 unq 5 iso 0 dist 8.01308 7.17488 5.11422 8.62958 10.6166 6.79356 numMergedOcc 0
7 mol 72 unq 0 iso 0 dist 9.74228 8.26541 4.38233 5.36766 7.12321 4.86198 numMergedOcc 0
8 mol 72 unq 1 iso 0 dist 9.74228 8.26541 4.38233 7.04035 6.21799 6.62699 numMergedOcc 0
9 mol 72 unq 2 iso 0 dist 9.74228 8.26541 4.38233 7.78491 10.9808 8.98867 numMergedOcc 0
10 mol 72 unq 3 iso 0 dist 7.12321 4.86198 4.38233 5.36766 9.74228 8.26541 numMergedOcc 0
11 mol 72 unq 4 iso 0 dist 7.12321 4.86198 4.38233 8.24309 6.21799 6.62699 numMergedOcc 0
12 mol 72 unq 5 iso 0 dist 7.12321 4.86198 4.38233 10.1538 10.9808 8.98867 numMergedOcc 0
13 mol 72 unq 6 iso 0 dist 6.21799 6.62699 4.38233 7.04035 9.74228 8.26541 numMergedOcc 0
14 mol 72 unq 7 iso 0 dist 6.21799 6.62699 4.38233 8.24309 7.12321 4.86198 numMergedOcc 0
15 mol 72 unq 8 iso 0 dist 6.21799 6.62699 4.38233 5.8486 10.9808 8.98867 numMergedOcc 0
16 mol 72 unq 9 iso 0 dist 5.03251 6.62699 5.62585 7.04035 10.7906 8.26541 numMergedOcc 0
17 mol 72 unq 10 iso 0 dist 5.03251 6.62699 5.62585 8.24309 9.35457 4.86198 numMergedOcc 0
18 mol 72 unq 11 iso 0 dist 5.03251 6.62699 5.62585 5.8486 9.56773 8.98867 numMergedOcc 0
19 mol 72 unq 12 iso 0 dist 9.56773 8.98867 5.62585 7.78491 10.7906 8.26541 numMergedOcc 0
20 mol 72 unq 13 iso 0 dist 9.56773 8.98867 5.62585 10.1538 9.35457 4.86198 numMergedOcc 0
21 mol 72 unq 14 iso 0 dist 9.56773 8.98867 5.62585 5.8486 5.03251 6.62699 numMergedOcc 0
22 mol 72 unq 15 iso 0 dist 7.66093 6.62699 9.84528 7.04035 12.952 8.26541 numMergedOcc 0
23 mol 72 unq 16 iso 0 dist 7.66093 6.62699 9.84528 8.24309 12.1131 4.86198 numMergedOcc 0
24 mol 72 unq 17 iso 0 dist 7.66093 6.62699 9.84528 5.8486 13.336 8.98867 numMergedOcc 0
25 mol 73 unq 0 iso 0 dist 8.72682 8.62079 14.0236 8.07446 10.2939 7.37171 numMergedOcc 0
26 mol 73 unq 1 iso 0 dist 6.45841 8.62079 11.9118 8.07446 8.62198 7.37171 numMergedOcc 0
27 mol 73 unq 2 iso 0 dist 5.5087 7.37171 10.0644 8.07446 5.61588 8.62079 numMergedOcc 0
28 mol 73 unq 3 iso 0 dist 5.61588 8.62079 10.0644 8.07446 5.5087 7.37171 numMergedOcc 0
29 mol 73 unq 4 iso 0 dist 6.08682 7.37171 12.1501 8.07446 7.83244 8.62079 numMergedOcc 0
30 mol 73 unq 5 iso 0 dist 7.83244 8.62079 12.1501 8.07446 6.08682 7.37171 numMergedOcc 0
31 mol 88 unq 0 iso 0 dist 7.80898 6.65615 10.8983 5.57085 12.785 5.07548 numMergedOcc 0
32 mol 127 unq 0 iso 0 dist 7.79505 6.80627 11.1934 6.16471 11.5667 5.39356 numMergedOcc 0
33 mol 127 unq 1 iso 0 dist 7.79505 6.80627 11.1934 4.48524 11.7484 5.01504 numMergedOcc 0
34 mol 129 unq 0 iso 0 dist 6.69691 7.97548 9.74071 4.61027 10.5979 9.9291 numMergedOcc 0
35 mol 129 unq 1 iso 0 dist 6.69691 7.97548 9.74071 10.5871 15.3611 7.32151 numMergedOcc 0
36 mol 129 unq 2 iso 0 dist 5.51197 7.97548 9.87781 4.61027 9.97604 9.9291 numMergedOcc 0
37 mol 129 unq 3 iso 0 dist 5.51197 7.97548 9.87781 10.5871 12.8996 7.32151 numMergedOcc 0
38 mol 129 unq 4 iso 0 dist 8.86944 7.97548 13.8096 4.61027 11.1246 9.9291 numMergedOcc 0
39 mol 129 unq 5 iso 0 dist 8.86944 7.97548 13.8096 10.5871 18.9289 7.32151 numMergedOcc 0
40 mol 197 unq 0 iso 0 dist 9.10817 9.23086 17.435 6.75702 15.5058 8.37086 numMergedOcc 0
41 mol 197 unq 1 iso 0 dist 9.73548 9.23086 4.91041 6.75702 10.1477 8.37086 numMergedOcc 0
42 mol 213 unq 0 iso 0 dist 8.21793 8.82761 14.4808 5.45334 12.9743 4.66576 numMergedOcc 0
43 mol 213 unq 1 iso 0 dist 8.22569 4.66576 5.45331 5.45334 10.9843 8.82761 numMergedOcc 0
44 mol 248 unq 0 iso 0 dist 9.05018 7.79063 9.81612 5.55137 9.33962 9.64778 numMergedOcc 0
45 mol 277 unq 0 iso 0 dist 9.35539 4.9764 13.2853 7.08227 14.9313 7.42932 numMergedOcc 0
46 mol 277 unq 1 iso 0 dist 5.46926 7.42932 5.9732 7.08227 8.9682 4.9764 numMergedOcc 0
47 mol 277 unq 2 iso 0 dist 8.9682 4.9764 5.9732 7.08227 5.46926 7.42932 numMergedOcc 0
48 mol 277 unq 3 iso 0 dist 5.13913 7.42932 3.79766 7.08227 6.92711 4.9764 numMergedOcc 0
49 mol 277 unq 4 iso 0 dist 6.92711 4.9764 3.79766 7.08227 5.13913 7.42932 numMergedOcc 0
50 mol 287 unq 0 iso 0 dist 7.45616 5.30118 3.66473 4.8356 10.4299 8.98698 numMergedOcc 0
51 mol 288 unq 0 iso 0 dist 7.45616 5.30118 3.66473 4.8356 10.4299 8.98698 numMergedOcc 0
52 mol 289 unq 0 iso 0 dist 7.45616 5.30118 3.66473 4.8356 10.4299 8.98698 numMergedOcc 0
