0 mol 8 unq 0 iso 0 dist 7.03958 5.7531 7.27018 6.82379 5.65816 7.12263 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 8.53529 8.79272 7.27018 7.3915 5.65816 7.12263 numMergedOcc 0
2 mol 8 unq 2 iso 0 dist 7.18019 7.17012 7.27018 10.6335 5.65816 7.12263 numMergedOcc 0
3 mol 8 unq 3 iso 0 dist 8.44009 6.31881 7.27018 11.7258 5.65816 7.12263 numMergedOcc 0
4 mol 9 unq 0 iso 0 dist 9.62394 11.0722 8.076 9.78006 7.28672 5.55437 numMergedOcc 0
5 mol 9 unq 1 iso 0 dist 9.62394 14.814 6.32226 10.8917 5.60208 5.38458 numMergedOcc 0
6 mol 19 unq 0 iso 0 dist 6.41575 5.18512 6.39966 11.6624 7.71716 7.69625 numMergedOcc 0
7 mol 19 unq 1 iso 0 dist 6.41423 9.47529 6.39966 13.8921 7.71716 7.69625 numMergedOcc 0
8 mol 24 unq 0 iso 0 dist 7.33768 6.00575 9.69752 10.7114 10.025 9.38831 numMergedOcc 0
9 mol 24 unq 1 iso 0 dist 8.4051 4.33963 4.90592 11.2485 6.99746 9.40479 numMergedOcc 0
10 mol 24 unq 2 iso 0 dist 8.4051 4.33963 4.90592 11.9933 11.8996 9.58012 numMergedOcc 0
11 mol 24 unq 3 iso 0 dist 8.4051 17.4067 9.36461 11.2485 6.99746 9.38831 numMergedOcc 0
12 mol 24 unq 4 iso 0 dist 7.29868 12.0003 4.90592 10.7114 6.99746 9.40479 numMergedOcc 0
13 mol 24 unq 5 iso 0 dist 7.29868 12.0003 4.90592 17.0767 11.8996 9.58012 numMergedOcc 0
14 mol 24 unq 6 iso 0 dist 7.29868 6.00575 9.36461 10.7114 6.99746 9.38831 numMergedOcc 0
15 mol 24 unq 7 iso 0 dist 8.60554 11.2106 4.90592 6.72502 6.99746 9.40479 numMergedOcc 0
16 mol 24 unq 8 iso 0 dist 8.60554 11.2106 4.90592 10.9839 11.8996 9.58012 numMergedOcc 0
17 mol 24 unq 9 iso 0 dist 8.60554 5.97304 9.36461 6.72502 6.99746 9.38831 numMergedOcc 0
18 mol 24 unq 10 iso 0 dist 8.75662 4.33963 8.16324 11.2485 7.05541 9.40479 numMergedOcc 0
19 mol 24 unq 11 iso 0 dist 8.75662 4.33963 8.16324 11.9933 9.15493 9.58012 numMergedOcc 0
20 mol 24 unq 12 iso 0 dist 9.44691 11.2106 8.16324 6.72502 7.05541 9.40479 numMergedOcc 0
21 mol 24 unq 13 iso 0 dist 9.44691 11.2106 8.16324 10.9839 9.15493 9.58012 numMergedOcc 0
22 mol 92 unq 0 iso 0 dist 7.52354 7.23437 8.29345 8.65802 5.8102 7.39754 numMergedOcc 0
23 mol 92 unq 1 iso 0 dist 7.52354 7.23437 8.29345 14.1162 9.98219 9.01011 numMergedOcc 0
24 mol 105 unq 0 iso 0 dist 9.06288 5.15287 7.71923 12.2752 7.41096 8.44437 numMergedOcc 0
25 mol 119 unq 0 iso 0 dist 9.11344 4.99056 8.8562 7.99857 6.96805 8.03035 numMergedOcc 0
26 mol 119 unq 1 iso 0 dist 9.11344 4.99056 8.8562 10.4631 4.86811 7.6968 numMergedOcc 0
27 mol 119 unq 2 iso 0 dist 6.52773 3.78311 8.8562 8.56342 6.96805 8.03035 numMergedOcc 0
28 mol 119 unq 3 iso 0 dist 6.52773 3.78311 8.8562 6.37542 4.86811 7.6968 numMergedOcc 0
29 mol 119 unq 4 iso 0 dist 9.23858 3.78311 7.91683 8.56342 13.3975 8.03035 numMergedOcc 0
30 mol 119 unq 5 iso 0 dist 9.23858 3.78311 7.91683 6.37542 8.00229 7.6968 numMergedOcc 0
31 mol 131 unq 0 iso 0 dist 9.90168 9.32969 8.50562 16.4092 10.9757 7.76594 numMergedOcc 0
32 mol 141 unq 0 iso 0 dist 8.10291 11.2667 9.78667 15.2272 9.21506 8.93453 numMergedOcc 0
33 mol 141 unq 1 iso 0 dist 9.97343 13.8236 7.64956 15.0853 6.06881 8.93453 numMergedOcc 0
34 mol 141 unq 2 iso 0 dist 9.70413 6.30121 7.64956 13.8305 6.06881 8.93453 numMergedOcc 0
35 mol 152 unq 0 iso 0 dist 6.46461 5.81236 5.06613 11.3952 7.72754 8.60521 numMergedOcc 0
36 mol 156 unq 0 iso 0 dist 9.00416 12.962 7.46845 17.1993 11.3995 5.90883 numMergedOcc 0
37 mol 156 unq 1 iso 0 dist 9.00416 12.962 7.46845 16.1983 11.6326 8.06913 numMergedOcc 0
38 mol 163 unq 0 iso 0 dist 9.69121 3.89889 7.8639 8.5043 4.12188 8.23605 numMergedOcc 0
39 mol 171 unq 0 iso 0 dist 9.61462 5.487 8.1536 14.5662 11.6944 9.75627 numMergedOcc 0
40 mol 171 unq 1 iso 0 dist 6.64834 6.83134 7.32555 11.3367 6.29877 7.82546 numMergedOcc 0
41 mol 171 unq 2 iso 0 dist 5.93786 4.44751 7.32555 7.71426 6.29877 7.82546 numMergedOcc 0
42 mol 171 unq 3 iso 0 dist 8.24693 9.61561 7.32555 5.10618 6.29877 7.82546 numMergedOcc 0
43 mol 171 unq 4 iso 0 dist 7.36698 6.66219 7.32555 11.661 6.29877 7.82546 numMergedOcc 0
44 mol 175 unq 0 iso 0 dist 9.39352 4.24624 9.71028 5.4969 8.94702 7.32419 numMergedOcc 0
45 mol 175 unq 1 iso 0 dist 9.39352 4.24624 9.71028 6.4318 4.06277 8.31961 numMergedOcc 0
46 mol 194 unq 0 iso 0 dist 8.65535 6.66155 6.37788 6.26839 5.92931 5.52678 numMergedOcc 0
47 mol 194 unq 1 iso 0 dist 8.65535 5.4499 8.7028 6.26839 5.92931 9.81666 numMergedOcc 0
48 mol 237 unq 0 iso 0 dist 7.41478 5.65087 6.07878 13.2536 11.0622 7.63812 numMergedOcc 0
49 mol 237 unq 1 iso 0 dist 7.41478 5.65087 6.07878 12.6098 10.1757 8.51129 numMergedOcc 0
50 mol 237 unq 2 iso 0 dist 9.20822 5.65087 5.06628 13.2536 6.26206 7.63812 numMergedOcc 0
51 mol 237 unq 3 iso 0 dist 9.20822 5.65087 5.06628 12.6098 3.97854 8.51129 numMergedOcc 0
52 mol 237 unq 4 iso 0 dist 9.16003 7.80935 9.54499 12.2711 11.2776 9.53139 numMergedOcc 0
53 mol 237 unq 5 iso 0 dist 9.16003 5.51666 5.6703 12.9119 5.90415 7.63812 numMergedOcc 0
54 mol 237 unq 6 iso 0 dist 6.99315 6.01573 6.11495 10.065 6.12402 7.31113 numMergedOcc 0
55 mol 237 unq 7 iso 0 dist 6.99315 6.01573 6.11495 12.2153 10.634 9.84466 numMergedOcc 0
56 mol 237 unq 8 iso 0 dist 6.99315 15.2418 9.36216 10.065 6.12402 9.53139 numMergedOcc 0
57 mol 237 unq 9 iso 0 dist 6.99315 15.1884 8.72819 12.6182 9.2471 7.63812 numMergedOcc 0
58 mol 237 unq 10 iso 0 dist 9.60163 9.59927 6.11495 6.50471 6.12402 7.31113 numMergedOcc 0
59 mol 237 unq 11 iso 0 dist 9.60163 9.59927 6.11495 9.23254 10.634 9.84466 numMergedOcc 0
60 mol 237 unq 12 iso 0 dist 9.60163 5.12181 9.36216 6.50471 6.12402 9.53139 numMergedOcc 0
61 mol 237 unq 13 iso 0 dist 9.60163 9.52569 8.72819 14.1101 9.2471 7.63812 numMergedOcc 0
62 mol 284 unq 0 iso 0 dist 9.33437 11.8906 9.63007 17.5549 16.5329 7.97588 numMergedOcc 0
63 mol 284 unq 1 iso 0 dist 7.8343 6.4399 9.63007 13.1486 16.5329 7.97588 numMergedOcc 0
