0 mol 17 unq 0 iso 0 dist 8.58468 7.18716 11.7258 5.22923 6.64199 11.4665 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 7.95007 7.18716 13.7445 5.22923 8.90155 11.4665 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 7.99735 6.77802 9.165 3.42062 7.90416 9.05737 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 7.99735 6.77802 9.165 13.5492 9.74553 14.5865 numMergedOcc 0
4 mol 48 unq 2 iso 0 dist 9.7516 9.48328 13.4515 12.971 7.90416 18.8458 numMergedOcc 0
5 mol 48 unq 3 iso 0 dist 9.7516 9.48328 13.4515 4.70736 9.74553 10.0937 numMergedOcc 0
6 mol 62 unq 0 iso 0 dist 6.30202 7.49792 7.90686 3.70802 7.01397 4.46067 numMergedOcc 0
7 mol 78 unq 0 iso 0 dist 6.09318 9.06839 6.73079 6.42604 7.50229 13.3838 numMergedOcc 0
8 mol 79 unq 0 iso 0 dist 6.00684 6.29267 4.15002 6.02092 6.64921 4.15789 numMergedOcc 0
9 mol 79 unq 1 iso 0 dist 6.00684 9.64361 8.46282 6.02092 6.64921 12.5014 numMergedOcc 0
10 mol 85 unq 0 iso 0 dist 9.37034 8.15861 4.8069 3.81285 8.67342 6.67137 numMergedOcc 0
11 mol 85 unq 1 iso 0 dist 9.37034 8.15861 4.8069 6.17121 8.60062 7.04244 numMergedOcc 0
12 mol 85 unq 2 iso 0 dist 9.37034 9.27814 17.0484 3.81285 8.67342 12.9252 numMergedOcc 0
13 mol 85 unq 3 iso 0 dist 9.37034 9.27814 17.0484 6.17121 8.60062 15.2807 numMergedOcc 0
14 mol 85 unq 4 iso 0 dist 6.60091 8.15861 10.0178 3.81285 5.73739 6.67137 numMergedOcc 0
15 mol 85 unq 5 iso 0 dist 6.60091 8.15861 10.0178 6.17121 5.16225 7.04244 numMergedOcc 0
16 mol 85 unq 6 iso 0 dist 6.60091 9.27814 14.189 3.81285 5.73739 12.9252 numMergedOcc 0
17 mol 85 unq 7 iso 0 dist 6.60091 9.27814 14.189 6.17121 5.16225 15.2807 numMergedOcc 0
18 mol 90 unq 0 iso 0 dist 9.69413 6.77993 6.65219 3.79142 7.01987 5.24346 numMergedOcc 0
19 mol 133 unq 0 iso 0 dist 8.61918 6.01995 4.63862 14.4611 8.98028 11.1269 numMergedOcc 0
20 mol 157 unq 0 iso 0 dist 9.46764 8.97914 7.444 14.5881 9.46735 16.7079 numMergedOcc 0
21 mol 176 unq 0 iso 0 dist 7.36833 8.00223 11.2094 3.84631 9.60931 6.85902 numMergedOcc 0
22 mol 176 unq 1 iso 0 dist 7.36833 9.60695 9.89989 3.84631 9.60931 10.081 numMergedOcc 0
23 mol 212 unq 0 iso 0 dist 9.50443 8.13391 7.72226 18.1749 9.49715 16.2957 numMergedOcc 0
24 mol 212 unq 1 iso 0 dist 9.50443 8.4285 4.18876 18.1749 9.49715 12.7692 numMergedOcc 0
25 mol 233 unq 0 iso 0 dist 7.91999 8.7499 5.38659 10.0567 8.70416 10.9386 numMergedOcc 0
26 mol 233 unq 1 iso 0 dist 7.91999 8.7499 5.38659 5.97893 8.18379 9.80479 numMergedOcc 0
27 mol 266 unq 0 iso 0 dist 8.65743 5.28746 4.39553 9.23405 9.90506 6.96692 numMergedOcc 0
28 mol 266 unq 1 iso 0 dist 8.65743 5.28746 4.39553 11.313 8.61077 8.25286 numMergedOcc 0
29 mol 266 unq 2 iso 0 dist 8.65743 5.28746 4.39553 13.005 9.11585 9.9965 numMergedOcc 0
30 mol 266 unq 3 iso 0 dist 8.02607 5.28746 3.94797 9.23405 9.03341 6.96692 numMergedOcc 0
31 mol 274 unq 0 iso 0 dist 8.08235 9.89615 4.0143 3.63631 8.88483 10.3462 numMergedOcc 0
32 mol 274 unq 1 iso 0 dist 7.1255 5.77565 4.0143 10.8022 8.88483 10.3462 numMergedOcc 0
33 mol 274 unq 2 iso 0 dist 7.1255 6.32853 3.88948 10.8022 8.88483 11.7681 numMergedOcc 0
34 mol 280 unq 0 iso 0 dist 7.03817 8.6212 6.10543 3.53168 8.7752 11.0216 numMergedOcc 0
35 mol 281 unq 0 iso 0 dist 7.90993 7.43535 12.4082 3.86368 9.39268 7.90368 numMergedOcc 0
36 mol 287 unq 0 iso 0 dist 4.75392 8.15636 5.15725 11.4888 7.82157 6.24487 numMergedOcc 0
37 mol 287 unq 1 iso 0 dist 4.75392 8.15636 5.15725 5.39384 8.39976 11.983 numMergedOcc 0
38 mol 287 unq 2 iso 0 dist 4.75392 7.86292 7.67235 11.4888 7.82157 12.9958 numMergedOcc 0
39 mol 287 unq 3 iso 0 dist 4.75392 7.86292 7.67235 5.39384 8.39976 13.1856 numMergedOcc 0
40 mol 288 unq 0 iso 0 dist 4.75392 8.15636 5.15725 11.4888 7.82157 6.24487 numMergedOcc 0
41 mol 288 unq 1 iso 0 dist 4.75392 8.15636 5.15725 5.39384 8.39976 11.983 numMergedOcc 0
42 mol 288 unq 2 iso 0 dist 4.75392 7.86292 7.67235 11.4888 7.82157 12.9958 numMergedOcc 0
43 mol 288 unq 3 iso 0 dist 4.75392 7.86292 7.67235 5.39384 8.39976 13.1856 numMergedOcc 0
44 mol 289 unq 0 iso 0 dist 4.75392 8.15636 5.15725 11.4888 7.82157 6.24487 numMergedOcc 0
45 mol 289 unq 1 iso 0 dist 4.75392 8.15636 5.15725 5.39384 8.39976 11.983 numMergedOcc 0
46 mol 289 unq 2 iso 0 dist 4.75392 7.86292 7.67235 11.4888 7.82157 12.9958 numMergedOcc 0
47 mol 289 unq 3 iso 0 dist 4.75392 7.86292 7.67235 5.39384 8.39976 13.1856 numMergedOcc 0
