0 mol 8 unq 0 iso 0 dist 6.82379 5.7531 7.12263 7.03958 5.65816 7.27018 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 6.24978 4.88215 7.12263 9.77703 5.65816 7.27018 numMergedOcc 0
2 mol 8 unq 2 iso 0 dist 9.66439 6.36434 7.12263 12.013 5.65816 7.27018 numMergedOcc 0
3 mol 8 unq 3 iso 0 dist 7.8922 5.02333 5.00267 12.2927 11.1833 8.77457 numMergedOcc 0
4 mol 8 unq 4 iso 0 dist 7.3915 8.79272 7.12263 8.53529 5.65816 7.27018 numMergedOcc 0
5 mol 9 unq 0 iso 0 dist 9.78006 11.0722 5.55437 9.62394 7.28672 8.076 numMergedOcc 0
6 mol 9 unq 1 iso 0 dist 7.9944 10.4817 5.38458 12.2849 5.93982 9.3523 numMergedOcc 0
7 mol 9 unq 2 iso 0 dist 7.032 7.51034 5.38458 12.7732 5.93982 9.3523 numMergedOcc 0
8 mol 24 unq 0 iso 0 dist 6.72502 11.2106 9.40479 8.60554 6.99746 4.90592 numMergedOcc 0
9 mol 24 unq 1 iso 0 dist 6.72502 11.2106 9.40479 9.44691 7.05541 8.16324 numMergedOcc 0
10 mol 24 unq 2 iso 0 dist 6.72502 5.97304 9.38831 12.9284 10.025 9.69752 numMergedOcc 0
11 mol 24 unq 3 iso 0 dist 6.72502 5.97304 9.38831 8.60554 6.99746 9.36461 numMergedOcc 0
12 mol 92 unq 0 iso 0 dist 8.86674 6.09514 9.01011 13.4631 9.98219 8.29345 numMergedOcc 0
13 mol 92 unq 1 iso 0 dist 8.65802 7.23437 7.39754 7.52354 5.8102 8.29345 numMergedOcc 0
14 mol 115 unq 0 iso 0 dist 5.72642 7.21418 8.71286 12.13 9.18958 8.85881 numMergedOcc 0
15 mol 119 unq 0 iso 0 dist 7.99857 4.99056 8.03035 9.11344 6.96805 8.8562 numMergedOcc 0
16 mol 119 unq 1 iso 0 dist 7.99857 4.99056 8.03035 12.7677 13.3975 7.91683 numMergedOcc 0
17 mol 119 unq 2 iso 0 dist 8.56342 3.78311 8.03035 6.52773 6.96805 8.8562 numMergedOcc 0
18 mol 119 unq 3 iso 0 dist 8.56342 3.78311 8.03035 9.23858 13.3975 7.91683 numMergedOcc 0
19 mol 119 unq 4 iso 0 dist 6.37542 3.78311 7.6968 6.52773 4.86811 8.8562 numMergedOcc 0
20 mol 119 unq 5 iso 0 dist 6.37542 3.78311 7.6968 9.23858 8.00229 7.91683 numMergedOcc 0
21 mol 131 unq 0 iso 0 dist 9.15431 7.21005 7.76594 10.8571 5.66194 5.39061 numMergedOcc 0
22 mol 131 unq 1 iso 0 dist 6.92648 11.5688 7.76594 11.8964 5.66194 5.39061 numMergedOcc 0
23 mol 131 unq 2 iso 0 dist 9.29384 15.7796 7.76594 14.9021 5.66194 5.39061 numMergedOcc 0
24 mol 143 unq 0 iso 0 dist 8.41611 10.8441 5.73236 9.14266 5.99865 6.95372 numMergedOcc 0
25 mol 152 unq 0 iso 0 dist 8.35555 7.78913 8.60521 11.3523 7.72754 5.06613 numMergedOcc 0
26 mol 156 unq 0 iso 0 dist 9.31851 13.6634 8.06913 18.6707 11.6326 7.46845 numMergedOcc 0
27 mol 156 unq 1 iso 0 dist 9.43259 10.7023 5.90883 13.0658 11.3995 7.46845 numMergedOcc 0
28 mol 156 unq 2 iso 0 dist 6.2319 10.7023 8.06913 13.0658 11.6326 7.46845 numMergedOcc 0
29 mol 156 unq 3 iso 0 dist 9.97732 9.00862 8.06913 11.5017 11.6326 7.46845 numMergedOcc 0
30 mol 163 unq 0 iso 0 dist 8.5043 3.89889 8.23605 9.69121 4.12188 7.8639 numMergedOcc 0
31 mol 163 unq 1 iso 0 dist 8.38738 6.94217 7.3546 15.035 15.9955 9.79069 numMergedOcc 0
32 mol 163 unq 2 iso 0 dist 8.38738 6.94217 7.3546 13.4342 5.87447 9.27496 numMergedOcc 0
33 mol 171 unq 0 iso 0 dist 9.11712 8.26419 9.75627 11.4288 11.6944 8.1536 numMergedOcc 0
34 mol 171 unq 1 iso 0 dist 7.71426 4.44751 7.82546 5.93786 6.29877 7.32555 numMergedOcc 0
35 mol 171 unq 2 iso 0 dist 5.10618 9.61561 7.82546 8.24693 6.29877 7.32555 numMergedOcc 0
36 mol 171 unq 3 iso 0 dist 9.86681 10.2067 7.82546 13.8551 6.29877 7.32555 numMergedOcc 0
37 mol 175 unq 0 iso 0 dist 5.4969 4.24624 7.32419 10.7017 11.2348 8.05247 numMergedOcc 0
38 mol 175 unq 1 iso 0 dist 5.4969 4.24624 7.32419 9.39352 8.94702 9.71028 numMergedOcc 0
39 mol 175 unq 2 iso 0 dist 6.4318 4.24624 8.31961 10.7017 9.23758 8.05247 numMergedOcc 0
40 mol 175 unq 3 iso 0 dist 6.4318 4.24624 8.31961 9.39352 4.06277 9.71028 numMergedOcc 0
41 mol 186 unq 0 iso 0 dist 6.72641 8.12143 7.23293 10.2534 5.91678 5.45675 numMergedOcc 0
42 mol 186 unq 1 iso 0 dist 7.20574 12.7155 7.55358 19.5202 13.1254 7.46987 numMergedOcc 0
43 mol 186 unq 2 iso 0 dist 6.85302 9.97575 7.55358 16.2017 13.1254 7.46987 numMergedOcc 0
44 mol 186 unq 3 iso 0 dist 9.98215 9.97575 7.60991 16.2017 8.74186 7.46987 numMergedOcc 0
45 mol 194 unq 0 iso 0 dist 6.26839 6.66155 5.52678 8.65535 5.92931 6.37788 numMergedOcc 0
46 mol 194 unq 1 iso 0 dist 6.26839 5.4499 9.81666 8.65535 5.92931 8.7028 numMergedOcc 0
47 mol 194 unq 2 iso 0 dist 8.12346 6.12973 5.52678 12.0009 5.92931 6.37788 numMergedOcc 0
48 mol 194 unq 3 iso 0 dist 8.12346 11.0239 9.81666 12.0009 5.92931 8.7028 numMergedOcc 0
49 mol 194 unq 4 iso 0 dist 8.83356 13.0333 5.52678 12.645 5.92931 6.37788 numMergedOcc 0
50 mol 194 unq 5 iso 0 dist 8.83356 18.6469 9.81666 12.645 5.92931 8.7028 numMergedOcc 0
51 mol 194 unq 6 iso 0 dist 8.2654 10.1796 5.52678 13.9101 5.92931 6.37788 numMergedOcc 0
52 mol 194 unq 7 iso 0 dist 8.2654 13.5457 9.81666 13.9101 5.92931 8.7028 numMergedOcc 0
53 mol 225 unq 0 iso 0 dist 6.6561 4.76151 6.53728 13.45 14.3973 9.23935 numMergedOcc 0
54 mol 225 unq 1 iso 0 dist 6.6561 4.76151 6.53728 11.7017 13.923 7.77552 numMergedOcc 0
55 mol 225 unq 2 iso 0 dist 8.87609 11.5135 6.53728 10.281 6.59663 8.20162 numMergedOcc 0
56 mol 237 unq 0 iso 0 dist 9.4811 6.46131 7.31113 11.2218 6.12402 6.11495 numMergedOcc 0
57 mol 237 unq 1 iso 0 dist 9.4811 10.2142 9.53139 15.3432 11.2776 9.54499 numMergedOcc 0
58 mol 237 unq 2 iso 0 dist 9.4811 10.2142 9.53139 11.2218 6.12402 9.36216 numMergedOcc 0
59 mol 237 unq 3 iso 0 dist 6.50471 9.59927 7.31113 9.60163 6.12402 6.11495 numMergedOcc 0
60 mol 237 unq 4 iso 0 dist 6.50471 5.12181 9.53139 12.4388 11.2776 9.54499 numMergedOcc 0
61 mol 237 unq 5 iso 0 dist 6.50471 5.12181 9.53139 9.60163 6.12402 9.36216 numMergedOcc 0
62 mol 237 unq 6 iso 0 dist 7.42587 13.1083 9.84466 16.5198 10.634 6.11495 numMergedOcc 0
63 mol 252 unq 0 iso 0 dist 6.53679 6.28227 8.55481 12.9597 12.0545 7.39391 numMergedOcc 0
64 mol 252 unq 1 iso 0 dist 7.50201 5.25252 8.55481 11.0831 12.0545 7.39391 numMergedOcc 0
65 mol 258 unq 0 iso 0 dist 9.53063 7.42673 6.47194 15.8417 8.09074 9.91199 numMergedOcc 0
66 mol 264 unq 0 iso 0 dist 7.52281 4.48907 5.74568 11.0482 11.5512 7.21655 numMergedOcc 0
67 mol 264 unq 1 iso 0 dist 6.42588 10.1591 5.74568 17.025 11.5512 7.21655 numMergedOcc 0
