0 mol 24 unq 0 iso 0 dist 6.94728 5.11382 3.94196 11.1055 11.2267 8.25818 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 9.33902 5.11382 13.466 11.1055 17.224 8.25818 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 8.38139 6.77802 5.7037 3.42062 9.07283 9.05737 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 8.38139 9.07283 3.42062 5.7037 6.77802 9.05737 numMergedOcc 0
4 mol 62 unq 0 iso 0 dist 8.19721 7.49792 4.29679 3.70802 6.51901 4.46067 numMergedOcc 0
5 mol 62 unq 1 iso 0 dist 8.19721 6.51901 3.70802 4.29679 7.49792 4.46067 numMergedOcc 0
6 mol 62 unq 2 iso 0 dist 6.84323 6.58981 4.29679 3.66673 6.51901 4.46067 numMergedOcc 0
7 mol 62 unq 3 iso 0 dist 6.84323 6.51901 3.66673 4.29679 6.58981 4.46067 numMergedOcc 0
8 mol 62 unq 4 iso 0 dist 7.24768 6.58981 8.07308 3.66673 9.1926 4.46067 numMergedOcc 0
9 mol 62 unq 5 iso 0 dist 7.24768 9.1926 3.66673 8.07308 6.58981 4.46067 numMergedOcc 0
10 mol 62 unq 6 iso 0 dist 8.51622 6.58981 10.3525 3.66673 10.8493 4.46067 numMergedOcc 0
11 mol 63 unq 0 iso 0 dist 9.22609 9.56838 13.469 11.1855 11.8965 9.13228 numMergedOcc 0
12 mol 85 unq 0 iso 0 dist 7.52742 8.15861 7.14242 3.81285 6.56288 6.67137 numMergedOcc 0
13 mol 85 unq 1 iso 0 dist 7.52742 8.15861 7.14242 6.17121 5.97559 7.04244 numMergedOcc 0
14 mol 85 unq 2 iso 0 dist 7.52742 9.27814 15.6495 11.9486 19.0105 4.18248 numMergedOcc 0
15 mol 85 unq 3 iso 0 dist 7.52742 6.56288 3.81285 7.14242 8.15861 6.67137 numMergedOcc 0
16 mol 85 unq 4 iso 0 dist 7.52742 6.56288 3.81285 15.2173 11.7875 9.78707 numMergedOcc 0
17 mol 85 unq 5 iso 0 dist 7.52742 5.97559 6.17121 9.52671 13.154 7.07839 numMergedOcc 0
18 mol 85 unq 6 iso 0 dist 7.52742 5.97559 6.17121 5.86553 13.0359 9.09711 numMergedOcc 0
19 mol 85 unq 7 iso 0 dist 7.52742 5.97559 6.17121 8.62855 13.6468 7.91193 numMergedOcc 0
20 mol 85 unq 8 iso 0 dist 7.52742 5.97559 6.17121 7.14242 8.15861 7.04244 numMergedOcc 0
21 mol 85 unq 9 iso 0 dist 7.52742 5.97559 6.17121 15.2173 11.7875 9.63449 numMergedOcc 0
22 mol 93 unq 0 iso 0 dist 5.27541 8.61597 13.113 6.46195 10.4659 9.66837 numMergedOcc 0
23 mol 93 unq 1 iso 0 dist 9.00874 8.23294 8.70619 3.27874 8.92653 5.20429 numMergedOcc 0
24 mol 93 unq 2 iso 0 dist 9.00874 8.2702 3.89959 3.27874 8.92653 8.71366 numMergedOcc 0
25 mol 93 unq 3 iso 0 dist 9.00874 8.92653 3.27874 8.70619 8.23294 5.20429 numMergedOcc 0
26 mol 93 unq 4 iso 0 dist 9.00874 8.92653 3.27874 3.89959 8.2702 8.71366 numMergedOcc 0
27 mol 111 unq 0 iso 0 dist 5.68841 8.51084 3.83194 7.42165 6.33923 4.91212 numMergedOcc 0
28 mol 111 unq 1 iso 0 dist 5.68841 8.51084 3.83194 7.93667 9.9801 9.74162 numMergedOcc 0
29 mol 111 unq 2 iso 0 dist 5.68841 5.53271 5.56913 7.42165 6.33923 9.34782 numMergedOcc 0
30 mol 111 unq 3 iso 0 dist 5.68841 6.33923 7.42165 3.83194 8.51084 4.91212 numMergedOcc 0
31 mol 111 unq 4 iso 0 dist 5.68841 6.33923 7.42165 5.56913 5.53271 9.34782 numMergedOcc 0
32 mol 111 unq 5 iso 0 dist 5.68841 9.9801 7.93667 3.83194 8.51084 9.74162 numMergedOcc 0
33 mol 116 unq 0 iso 0 dist 8.56629 8.55413 11.987 9.53399 15.9742 6.55227 numMergedOcc 0
34 mol 116 unq 1 iso 0 dist 7.56091 8.55413 6.88393 9.53399 11.4135 6.55227 numMergedOcc 0
35 mol 151 unq 0 iso 0 dist 8.1034 5.91643 5.81096 6.07474 12.1622 9.37533 numMergedOcc 0
36 mol 176 unq 0 iso 0 dist 8.95504 8.00223 12.7977 3.84631 12.2762 6.85902 numMergedOcc 0
37 mol 204 unq 0 iso 0 dist 9.06541 8.09863 7.73968 6.29741 12.9661 8.54737 numMergedOcc 0
38 mol 204 unq 1 iso 0 dist 9.06541 8.09863 7.73968 3.88406 10.4409 7.64057 numMergedOcc 0
39 mol 233 unq 0 iso 0 dist 6.28379 6.45095 5.74821 6.41178 11.4404 7.83831 numMergedOcc 0
40 mol 233 unq 1 iso 0 dist 9.29279 6.45095 11.8995 6.41178 15.3608 7.83831 numMergedOcc 0
41 mol 281 unq 0 iso 0 dist 9.18565 7.43535 16.2801 3.86368 9.05453 7.90368 numMergedOcc 0
42 mol 281 unq 1 iso 0 dist 9.18565 9.05453 3.86368 16.2801 7.43535 7.90368 numMergedOcc 0
43 mol 281 unq 2 iso 0 dist 9.18565 9.05453 3.86368 9.81081 9.80393 6.69267 numMergedOcc 0
44 mol 283 unq 0 iso 0 dist 9.74822 7.17276 9.8348 6.30031 13.1238 7.31132 numMergedOcc 0
45 mol 287 unq 0 iso 0 dist 5.06731 8.15636 6.00938 11.4888 11.2189 6.24487 numMergedOcc 0
46 mol 288 unq 0 iso 0 dist 5.06731 8.15636 6.00938 11.4888 11.2189 6.24487 numMergedOcc 0
47 mol 289 unq 0 iso 0 dist 5.06731 8.15636 6.00938 11.4888 11.2189 6.24487 numMergedOcc 0
