0 mol 114 unq 0 iso 0 dist 8.592 9.52181 8.42445 11.8382 7.18757 7.5732 6.07991 10.9798 6.34525 11.128 numMergedOcc 0
1 mol 126 unq 0 iso 0 dist 9.40608 5.50061 9.54928 6.24392 7.01529 6.06638 9.31118 12.3511 9.46588 5.5703 numMergedOcc 0
2 mol 131 unq 0 iso 0 dist 5.50364 5.29825 8.97145 12.0117 14.257 6.85062 12.0195 13.3078 9.29384 9.32969 numMergedOcc 0
3 mol 131 unq 1 iso 0 dist 8.7301 5.29825 6.5874 12.0117 7.60371 6.85062 12.0195 10.6416 9.29384 9.32969 numMergedOcc 0
4 mol 142 unq 0 iso 0 dist 5.1557 6.01403 7.57458 14.3662 13.1936 9.2313 11.1518 9.05212 9.17106 12.6057 numMergedOcc 0
5 mol 142 unq 1 iso 0 dist 5.1557 6.01403 7.57458 13.2109 12.288 7.73169 11.1518 9.05212 9.17106 8.38032 numMergedOcc 0
6 mol 142 unq 2 iso 0 dist 5.1557 6.01403 7.57458 13.7988 14.2067 8.96657 11.1518 9.05212 9.17106 8.16815 numMergedOcc 0
7 mol 142 unq 3 iso 0 dist 9.5355 8.68855 7.57458 7.15087 13.1936 9.2313 13.971 9.05212 9.17106 12.6057 numMergedOcc 0
8 mol 142 unq 4 iso 0 dist 9.5355 8.68855 7.57458 10.5719 12.288 7.73169 13.971 9.05212 9.17106 8.38032 numMergedOcc 0
9 mol 142 unq 5 iso 0 dist 9.5355 8.68855 7.57458 15.3413 14.2067 8.96657 13.971 9.05212 9.17106 8.16815 numMergedOcc 0
10 mol 175 unq 0 iso 0 dist 8.39634 9.72213 9.00898 13.5463 5.96451 9.29945 10.9055 11.9192 5.4969 12.3408 numMergedOcc 0
11 mol 175 unq 1 iso 0 dist 8.39634 9.72213 9.00898 13.5463 5.96451 9.29945 14.0561 11.0956 6.4318 8.68081 numMergedOcc 0
12 mol 175 unq 2 iso 0 dist 8.39634 9.72213 9.00898 13.5463 5.96451 9.29945 16.9999 15.1521 7.35824 12.5754 numMergedOcc 0
13 mol 175 unq 3 iso 0 dist 8.39634 9.72213 9.00898 13.5463 5.96451 9.29945 17.8653 13.624 9.17364 10.0424 numMergedOcc 0
14 mol 214 unq 0 iso 0 dist 5.69733 5.68711 8.49704 13.6328 12.4611 9.65138 7.30003 5.20422 6.38157 7.38025 numMergedOcc 0
15 mol 214 unq 1 iso 0 dist 5.69733 5.68711 8.49704 11.6154 11.832 7.14453 7.30003 5.20422 6.38157 9.35273 numMergedOcc 0
16 mol 214 unq 2 iso 0 dist 5.69733 5.68711 8.49704 11.5105 10.644 8.85478 7.30003 5.20422 6.38157 5.63388 numMergedOcc 0
17 mol 220 unq 0 iso 0 dist 4.3362 9.20027 7.31105 17.1012 14.6296 9.23153 14.3814 12.6425 5.45036 6.17628 numMergedOcc 0
18 mol 220 unq 1 iso 0 dist 4.3362 9.20027 7.31105 17.1012 14.6296 9.23153 15.7591 12.3625 9.97586 14.0253 numMergedOcc 0
19 mol 220 unq 2 iso 0 dist 4.3362 9.20027 7.31105 13.6374 9.52692 8.24498 14.3814 12.6425 5.45036 10.4136 numMergedOcc 0
20 mol 220 unq 3 iso 0 dist 4.3362 9.20027 7.31105 13.6374 9.52692 8.24498 15.7591 12.3625 9.97586 6.20511 numMergedOcc 0
21 mol 222 unq 0 iso 0 dist 7.10689 5.01062 8.7347 8.7419 8.81265 6.00706 12.6432 11.5459 8.48341 6.03524 numMergedOcc 0
22 mol 222 unq 1 iso 0 dist 7.10689 5.01062 8.7347 8.5834 4.28891 7.54212 12.6432 11.5459 8.48341 7.60395 numMergedOcc 0
23 mol 227 unq 0 iso 0 dist 7.99145 5.841 9.17826 14.1483 16.2594 9.34734 11.0495 7.69431 8.03442 10.2525 numMergedOcc 0
24 mol 227 unq 1 iso 0 dist 7.99145 5.841 9.17826 12.9898 14.9329 7.22101 11.0495 7.69431 8.03442 10.5813 numMergedOcc 0
25 mol 227 unq 2 iso 0 dist 7.99145 5.841 9.17826 14.1659 13.2783 8.65997 11.0495 7.69431 8.03442 7.22396 numMergedOcc 0
26 mol 227 unq 3 iso 0 dist 7.99145 5.841 9.17826 9.8971 10.6504 7.56888 11.0495 7.69431 8.03442 6.10296 numMergedOcc 0
27 mol 227 unq 4 iso 0 dist 7.99145 5.841 9.17826 7.71761 11.4528 7.55216 11.0495 7.69431 8.03442 9.69537 numMergedOcc 0
28 mol 252 unq 0 iso 0 dist 8.04265 14.8036 9.73021 19.1239 16.5881 8.33025 10.8478 7.37634 7.50201 11.056 numMergedOcc 0
29 mol 252 unq 1 iso 0 dist 8.04265 14.8036 9.73021 15.1557 12.5855 9.2288 10.8478 7.37634 7.50201 5.23748 numMergedOcc 0
30 mol 252 unq 2 iso 0 dist 8.04265 14.8036 9.73021 13.0796 5.26867 7.19638 10.8478 7.37634 7.50201 7.63376 numMergedOcc 0
31 mol 252 unq 3 iso 0 dist 9.42193 14.864 9.73021 20.6773 16.5881 8.33025 14.6356 7.37634 7.50201 11.056 numMergedOcc 0
32 mol 252 unq 4 iso 0 dist 9.42193 14.864 9.73021 19.2417 12.5855 9.2288 14.6356 7.37634 7.50201 5.23748 numMergedOcc 0
33 mol 252 unq 5 iso 0 dist 9.42193 14.864 9.73021 13.4304 5.26867 7.19638 14.6356 7.37634 7.50201 7.63376 numMergedOcc 0
34 mol 258 unq 0 iso 0 dist 6.59521 5.13233 8.58088 10.7821 10.221 6.60405 12.9634 13.2039 9.53063 6.6525 numMergedOcc 0
35 mol 258 unq 1 iso 0 dist 6.59521 5.13233 8.58088 8.21585 9.22664 6.42289 12.9634 13.2039 9.53063 5.27959 numMergedOcc 0
36 mol 274 unq 0 iso 0 dist 9.96645 6.04536 9.696 12.1604 10.7962 7.56915 14.336 16.1684 9.56685 5.90436 numMergedOcc 0
37 mol 274 unq 1 iso 0 dist 9.96645 6.04536 9.696 12.1604 10.7962 7.56915 14.2696 16.3319 8.49922 9.27829 numMergedOcc 0
38 mol 274 unq 2 iso 0 dist 9.96645 6.04536 9.696 11.4986 5.1874 8.49997 14.336 16.1684 9.56685 12.106 numMergedOcc 0
39 mol 274 unq 3 iso 0 dist 9.96645 6.04536 9.696 11.4986 5.1874 8.49997 14.2696 16.3319 8.49922 12.9674 numMergedOcc 0
40 mol 274 unq 4 iso 0 dist 9.2447 6.12463 9.696 12.2117 10.7962 7.56915 15.0732 16.1684 9.56685 5.90436 numMergedOcc 0
41 mol 274 unq 5 iso 0 dist 9.2447 6.12463 9.696 12.2117 10.7962 7.56915 11.4718 16.3319 8.49922 9.27829 numMergedOcc 0
42 mol 274 unq 6 iso 0 dist 9.2447 6.12463 9.696 10.1296 5.1874 8.49997 15.0732 16.1684 9.56685 12.106 numMergedOcc 0
43 mol 274 unq 7 iso 0 dist 9.2447 6.12463 9.696 10.1296 5.1874 8.49997 11.4718 16.3319 8.49922 12.9674 numMergedOcc 0
