0 mol 25 unq 0 iso 0 dist 6.69002 11.8565 6.85556 12.1471 5.68392 6.03987 15.8335 9.71382 10.3635 7.685 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 5.7405 10.4238 6.14538 5.59773 4.29856 6.83299 10.352 6.30987 5.06052 5.02241 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 7.88172 12.965 8.80614 15.9015 10.2049 6.86465 15.7855 9.11258 6.47744 8.63333 numMergedOcc 0
3 mol 58 unq 1 iso 0 dist 7.88172 12.965 8.80614 12.9181 9.95364 6.62496 11.9637 10.4309 4.67832 9.64665 numMergedOcc 0
4 mol 58 unq 2 iso 0 dist 7.88172 12.965 8.80614 10.671 5.49591 6.35756 15.7855 9.11258 6.47744 8.89374 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 6.91141 9.19589 9.24757 10.1845 5.11416 9.96396 11.5311 7.10439 7.41074 8.70133 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 6.91141 9.19589 9.24757 10.8928 6.56633 6.19304 11.5311 7.10439 7.41074 4.65521 numMergedOcc 0
7 mol 85 unq 0 iso 0 dist 5.79841 13.8798 9.82915 10.7029 9.29301 7.97049 10.7961 10.0297 7.98917 9.47876 numMergedOcc 0
8 mol 85 unq 1 iso 0 dist 5.79841 13.8798 9.82915 14.7997 13.5116 7.47541 10.7961 10.0297 7.98917 7.22293 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 7.44343 11.8037 6.95572 9.514 9.50382 7.4729 5.02124 5.39745 6.99832 5.81965 numMergedOcc 0
10 mol 92 unq 1 iso 0 dist 7.44343 11.8037 6.95572 13.0248 7.56363 6.82344 5.02124 5.39745 6.99832 9.70512 numMergedOcc 0
11 mol 100 unq 0 iso 0 dist 9.1593 10.9755 7.10378 16.6322 10.6848 7.17106 15.1966 11.9163 5.01145 6.58204 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 5.58734 6.83988 8.00003 12.1173 10.4376 6.18601 15.3254 16.6554 9.35964 9.80862 numMergedOcc 0
13 mol 119 unq 1 iso 0 dist 5.58734 6.83988 8.00003 12.1173 10.4376 6.18601 16.376 16.109 10.3457 8.43904 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 5.80404 6.80292 9.22232 13.0521 16.0138 7.11802 9.65497 12.3267 4.68409 7.92688 numMergedOcc 0
15 mol 156 unq 0 iso 0 dist 7.70894 11.8579 9.47433 16.1718 11.9952 7.44554 14.7157 13.7525 7.29758 6.27641 numMergedOcc 0
16 mol 156 unq 1 iso 0 dist 9.6281 5.0966 9.44367 7.30021 5.4555 7.44554 10.3893 5.81122 7.29758 6.27641 numMergedOcc 0
17 mol 156 unq 2 iso 0 dist 9.6281 5.75141 7.90267 7.30021 5.4555 8.94056 10.3893 5.81122 8.67156 6.27641 numMergedOcc 0
18 mol 156 unq 3 iso 0 dist 6.22667 9.07974 9.44367 10.0734 5.4555 7.44554 7.02779 5.81122 7.29758 6.27641 numMergedOcc 0
19 mol 156 unq 4 iso 0 dist 6.22667 5.70205 7.90267 10.0734 5.4555 8.94056 7.02779 5.81122 8.67156 6.27641 numMergedOcc 0
20 mol 181 unq 0 iso 0 dist 6.66608 11.067 9.39829 11.5992 7.20191 7.81386 14.5433 13.5221 9.53462 7.98142 numMergedOcc 0
21 mol 181 unq 1 iso 0 dist 6.66608 11.067 9.39829 11.5992 7.20191 7.81386 18.0588 14.5372 11.1462 7.37327 numMergedOcc 0
22 mol 181 unq 2 iso 0 dist 6.66608 5.16386 6.41453 11.5992 7.20191 7.63312 14.5433 13.5221 9.60512 7.98142 numMergedOcc 0
23 mol 181 unq 3 iso 0 dist 6.66608 5.16386 6.41453 11.5992 7.20191 7.63312 18.0588 14.5372 13.3389 7.37327 numMergedOcc 0
24 mol 205 unq 0 iso 0 dist 6.05667 6.4623 5.44002 10.156 10.3603 7.26832 12.652 10.5073 6.23291 9.19704 numMergedOcc 0
25 mol 220 unq 0 iso 0 dist 9.05637 6.24624 6.59716 13.1834 7.11498 9.23153 10.2315 9.7334 6.7067 6.84247 numMergedOcc 0
26 mol 220 unq 1 iso 0 dist 9.05637 6.24624 6.59716 13.1834 7.11498 9.23153 19.2604 13.5801 15.9568 6.99002 numMergedOcc 0
27 mol 227 unq 0 iso 0 dist 8.61546 14.5234 7.43071 14.5974 6.35849 7.22101 20.1856 12.2922 6.43754 8.17891 numMergedOcc 0
28 mol 227 unq 1 iso 0 dist 8.61546 14.5234 7.43071 17.402 10.204 8.65997 26.7144 19.0662 14.6185 9.62609 numMergedOcc 0
29 mol 227 unq 2 iso 0 dist 8.61546 14.5234 7.43071 17.402 10.204 8.65997 20.1856 12.2922 6.43754 6.95902 numMergedOcc 0
30 mol 227 unq 3 iso 0 dist 8.61546 14.5234 7.43071 11.3667 9.32448 7.55216 9.78034 10.4957 11.662 8.83563 numMergedOcc 0
31 mol 227 unq 4 iso 0 dist 8.61546 13.552 6.02296 14.5974 6.35849 7.09863 20.1856 12.2922 9.13836 8.17891 numMergedOcc 0
32 mol 235 unq 0 iso 0 dist 6.20377 12.3562 9.55668 11.5033 7.60081 5.4638 10.2924 7.95766 4.65302 8.21247 numMergedOcc 0
33 mol 259 unq 0 iso 0 dist 9.69025 5.71237 7.98231 9.58006 8.81835 7.88519 15.1483 8.71497 11.6195 7.48005 numMergedOcc 0
34 mol 259 unq 1 iso 0 dist 9.69025 11.8501 7.08526 9.58006 8.81835 7.46176 15.1483 8.71497 5.79468 7.48005 numMergedOcc 0
