0 mol 18 unq 0 iso 0 dist 8.81762 8.1366 16.6589 10.107 18.0915 6.01053 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 5.32149 8.1366 10.8911 10.107 14.0058 6.01053 numMergedOcc 0
2 mol 21 unq 0 iso 0 dist 7.48808 6.51419 5.68808 7.33018 11.3184 7.39438 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 6.84521 8.07389 8.42544 5.84171 5.73819 9.07906 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 6.84521 8.07389 8.42544 9.30759 13.9655 8.75567 numMergedOcc 0
5 mol 43 unq 2 iso 0 dist 8.90024 8.07389 6.09486 5.84171 6.20293 9.07906 numMergedOcc 0
6 mol 43 unq 3 iso 0 dist 8.90024 8.07389 6.09486 9.30759 12.2321 8.75567 numMergedOcc 0
7 mol 43 unq 4 iso 0 dist 6.78532 8.07389 4.40385 5.84171 8.93915 9.07906 numMergedOcc 0
8 mol 43 unq 5 iso 0 dist 6.78532 8.07389 4.40385 9.30759 11.6828 8.75567 numMergedOcc 0
9 mol 85 unq 0 iso 0 dist 9.9795 7.82214 5.46695 9.53239 7.97049 8.77199 numMergedOcc 0
10 mol 85 unq 1 iso 0 dist 9.9795 7.82214 5.46695 13.0232 6.19965 8.81824 numMergedOcc 0
11 mol 110 unq 0 iso 0 dist 8.60857 5.52502 3.99091 4.99775 10.4494 6.60331 numMergedOcc 0
12 mol 110 unq 1 iso 0 dist 8.60857 5.52502 3.99091 9.98015 12.6366 9.22311 numMergedOcc 0
13 mol 120 unq 0 iso 0 dist 5.06555 6.21509 4.98499 5.61914 6.44653 8.1671 numMergedOcc 0
14 mol 158 unq 0 iso 0 dist 9.66837 8.71292 10.2936 6.05321 13.5304 6.64326 numMergedOcc 0
15 mol 167 unq 0 iso 0 dist 7.9895 7.71402 7.45933 12.6052 12.9772 6.85239 numMergedOcc 0
16 mol 167 unq 1 iso 0 dist 7.9895 7.71402 7.45933 12.4033 13.0227 5.72735 numMergedOcc 0
17 mol 167 unq 2 iso 0 dist 6.53913 7.71402 6.38496 12.6052 12.4733 6.85239 numMergedOcc 0
18 mol 167 unq 3 iso 0 dist 6.53913 7.71402 6.38496 12.4033 9.87651 5.72735 numMergedOcc 0
19 mol 169 unq 0 iso 0 dist 6.28961 6.58855 4.19562 5.3864 8.49164 6.21943 numMergedOcc 0
20 mol 206 unq 0 iso 0 dist 5.82039 9.1579 6.13816 13.5094 12.5958 7.03546 numMergedOcc 0
21 mol 206 unq 1 iso 0 dist 5.82039 9.1579 6.13816 15.3449 13.4144 9.62822 numMergedOcc 0
22 mol 206 unq 2 iso 0 dist 6.22964 9.1579 9.20417 13.5094 14.4763 7.03546 numMergedOcc 0
23 mol 206 unq 3 iso 0 dist 6.22964 9.1579 9.20417 15.3449 18.1107 9.62822 numMergedOcc 0
24 mol 206 unq 4 iso 0 dist 9.90891 6.28518 15.9553 8.89771 13.3275 9.65041 numMergedOcc 0
25 mol 236 unq 0 iso 0 dist 7.49412 6.53528 6.18809 6.05616 11.5313 9.04091 numMergedOcc 0
26 mol 236 unq 1 iso 0 dist 7.49412 6.53528 6.18809 4.64011 12.0189 9.3624 numMergedOcc 0
27 mol 252 unq 0 iso 0 dist 7.91348 6.38041 5.8401 9.00146 12.6348 7.48298 numMergedOcc 0
28 mol 253 unq 0 iso 0 dist 7.38315 6.77322 3.87128 10.6994 7.32223 9.29422 numMergedOcc 0
29 mol 261 unq 0 iso 0 dist 9.80409 9.00616 15.4874 4.63237 9.14619 9.00426 numMergedOcc 0
30 mol 261 unq 1 iso 0 dist 9.80409 6.35699 13.3429 4.63237 9.14619 8.19348 numMergedOcc 0
31 mol 277 unq 0 iso 0 dist 9.38793 7.89017 13.9139 11.9195 14.8559 6.64082 numMergedOcc 0
32 mol 285 unq 0 iso 0 dist 9.82717 6.02774 6.40962 7.8112 11.3643 7.97266 numMergedOcc 0
33 mol 285 unq 1 iso 0 dist 9.82717 6.02774 6.40962 13.2558 9.80196 8.89057 numMergedOcc 0
