0 mol 1 unq 0 iso 0 dist 9.40282 8.93702 5.11735 5.99543 10.488 8.56884 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 9.35554 8.93702 9.01967 5.99543 9.00903 8.56884 numMergedOcc 0
2 mol 18 unq 0 iso 0 dist 9.2978 8.25905 5.01478 7.43559 11.1019 8.52106 numMergedOcc 0
3 mol 18 unq 1 iso 0 dist 9.2978 8.25905 5.01478 10.1793 10.5792 6.32451 numMergedOcc 0
4 mol 18 unq 2 iso 0 dist 7.37356 8.25905 7.04695 7.43559 11.103 8.52106 numMergedOcc 0
5 mol 18 unq 3 iso 0 dist 7.37356 8.25905 7.04695 10.1793 9.94539 6.32451 numMergedOcc 0
6 mol 20 unq 0 iso 0 dist 9.44151 8.71628 12.5816 6.98731 14.0449 6.4934 numMergedOcc 0
7 mol 20 unq 1 iso 0 dist 9.44151 8.71628 12.5816 12.0498 18.6102 6.93199 numMergedOcc 0
8 mol 70 unq 0 iso 0 dist 6.77833 8.06918 6.65811 9.17087 10.1773 8.33704 numMergedOcc 0
9 mol 70 unq 1 iso 0 dist 6.77833 8.06918 6.65811 5.33532 9.65964 7.92394 numMergedOcc 0
10 mol 70 unq 2 iso 0 dist 6.77833 7.52623 5.47516 5.33532 9.65964 9.93423 numMergedOcc 0
11 mol 70 unq 3 iso 0 dist 6.77833 5.62294 11.0952 5.33532 9.65964 9.34122 numMergedOcc 0
12 mol 70 unq 4 iso 0 dist 9.83265 8.56968 6.65811 12.189 10.1773 8.33704 numMergedOcc 0
13 mol 70 unq 5 iso 0 dist 9.83265 8.56968 6.65811 7.6455 9.65964 7.92394 numMergedOcc 0
14 mol 70 unq 6 iso 0 dist 9.83265 7.31655 5.47516 7.6455 9.65964 9.93423 numMergedOcc 0
15 mol 70 unq 7 iso 0 dist 9.83265 7.99569 11.0952 7.6455 9.65964 9.34122 numMergedOcc 0
16 mol 94 unq 0 iso 0 dist 6.31237 6.64613 7.39788 4.7907 10.9316 8.3586 numMergedOcc 0
17 mol 95 unq 0 iso 0 dist 8.07365 6.47401 8.73564 7.94986 12.5309 8.67367 numMergedOcc 0
18 mol 105 unq 0 iso 0 dist 9.13159 8.32431 11.8465 10.5413 18.108 8.36733 numMergedOcc 0
19 mol 113 unq 0 iso 0 dist 7.2443 8.94447 8.69934 12.7099 15.0169 6.81812 numMergedOcc 0
20 mol 126 unq 0 iso 0 dist 7.02525 6.35364 5.15767 8.50279 12.1603 7.75534 numMergedOcc 0
21 mol 126 unq 1 iso 0 dist 7.02525 6.35364 5.15767 5.68478 10.4642 9.06011 numMergedOcc 0
22 mol 133 unq 0 iso 0 dist 8.95433 9.59094 4.68409 11.0811 7.11802 7.92688 numMergedOcc 0
23 mol 167 unq 0 iso 0 dist 7.9895 9.4422 6.06723 12.4033 13.0227 8.62646 numMergedOcc 0
24 mol 167 unq 1 iso 0 dist 6.53913 9.4422 6.58937 12.4033 9.87651 8.62646 numMergedOcc 0
25 mol 181 unq 0 iso 0 dist 8.27794 9.34871 6.14208 4.89429 9.09537 7.20046 numMergedOcc 0
26 mol 181 unq 1 iso 0 dist 8.27794 5.55727 5.95965 4.89429 9.09537 7.13543 numMergedOcc 0
27 mol 189 unq 0 iso 0 dist 8.59972 5.79707 5.59904 5.56399 10.4329 6.50241 numMergedOcc 0
28 mol 197 unq 0 iso 0 dist 6.18446 6.58245 5.2908 14.8922 11.6759 8.99696 numMergedOcc 0
29 mol 197 unq 1 iso 0 dist 9.96544 6.58245 6.23998 14.8922 11.3819 8.99696 numMergedOcc 0
30 mol 209 unq 0 iso 0 dist 5.92907 5.20111 6.43758 5.35615 7.56373 9.52027 numMergedOcc 0
31 mol 218 unq 0 iso 0 dist 9.79816 7.89694 11.0503 7.82717 12.8943 9.50586 numMergedOcc 0
32 mol 218 unq 1 iso 0 dist 9.79816 5.66171 7.47048 12.0404 10.9501 7.17547 numMergedOcc 0
33 mol 218 unq 2 iso 0 dist 9.79816 5.66171 7.47048 7.82717 12.8943 7.13323 numMergedOcc 0
34 mol 233 unq 0 iso 0 dist 6.48196 7.99897 8.96098 11.5105 15.159 9.43203 numMergedOcc 0
35 mol 235 unq 0 iso 0 dist 6.45574 6.43838 10.6981 5.06584 11.3258 5.65339 numMergedOcc 0
36 mol 235 unq 1 iso 0 dist 6.45574 9.24964 9.66021 6.70342 5.4638 9.58736 numMergedOcc 0
37 mol 235 unq 2 iso 0 dist 6.45574 9.24964 9.66021 6.38281 11.9862 9.43058 numMergedOcc 0
38 mol 235 unq 3 iso 0 dist 6.45574 9.24964 9.66021 10.6146 15.2592 8.75735 numMergedOcc 0
39 mol 235 unq 4 iso 0 dist 6.45574 9.24964 9.66021 14.8599 15.3051 6.98084 numMergedOcc 0
40 mol 235 unq 5 iso 0 dist 6.45574 9.24964 9.66021 16.2392 16.4776 7.32211 numMergedOcc 0
41 mol 235 unq 6 iso 0 dist 8.14407 5.71896 9.66021 6.01036 5.4638 9.58736 numMergedOcc 0
42 mol 235 unq 7 iso 0 dist 8.14407 5.71896 9.66021 4.99641 11.9862 9.43058 numMergedOcc 0
43 mol 235 unq 8 iso 0 dist 8.14407 5.71896 9.66021 7.72505 15.2592 8.75735 numMergedOcc 0
44 mol 235 unq 9 iso 0 dist 8.14407 5.71896 9.66021 12.2179 15.3051 6.98084 numMergedOcc 0
45 mol 235 unq 10 iso 0 dist 8.14407 5.71896 9.66021 11.7282 16.4776 7.32211 numMergedOcc 0
46 mol 248 unq 0 iso 0 dist 7.40475 7.96942 10.1857 7.63032 7.69895 8.50864 numMergedOcc 0
47 mol 264 unq 0 iso 0 dist 9.07206 5.50677 14.073 14.447 22.584 9.0012 numMergedOcc 0
48 mol 264 unq 1 iso 0 dist 9.07206 8.75957 16.8934 14.447 22.584 9.5784 numMergedOcc 0
49 mol 267 unq 0 iso 0 dist 7.94474 6.87713 7.11419 11.9598 15.5427 8.76007 numMergedOcc 0
50 mol 274 unq 0 iso 0 dist 9.13226 8.38395 6.68358 6.45522 11.3168 9.19234 numMergedOcc 0
51 mol 294 unq 0 iso 0 dist 7.77765 7.86196 6.17102 9.62211 8.15665 9.03492 numMergedOcc 0
