0 mol 5 unq 0 iso 0 dist 6.84403 6.46777 7.64769 12.2041 6.98653 8.87945 5.18743 3.50411 8.68577 10.4477 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 6.84403 6.46777 7.64769 12.2041 6.98653 8.87945 9.34574 4.84696 9.70883 9.22937 numMergedOcc 0
2 mol 5 unq 2 iso 0 dist 5.18743 6.46777 8.68577 12.2041 10.4477 8.87945 6.84403 3.50411 7.64769 6.98653 numMergedOcc 0
3 mol 5 unq 3 iso 0 dist 5.18743 6.46777 8.68577 12.2041 10.4477 8.87945 9.34574 5.30421 9.70883 9.22937 numMergedOcc 0
4 mol 28 unq 0 iso 0 dist 6.14086 6.82151 8.53424 13.6465 16.4255 9.2146 6.31487 3.70336 7.08766 16.0765 numMergedOcc 0
5 mol 28 unq 1 iso 0 dist 6.14086 6.82151 8.53424 13.6465 16.4255 9.2146 7.07851 5.1533 4.82199 13.6412 numMergedOcc 0
6 mol 28 unq 2 iso 0 dist 6.76158 4.3475 8.53424 9.77719 16.4255 9.2146 7.423 3.70336 7.08766 16.0765 numMergedOcc 0
7 mol 28 unq 3 iso 0 dist 6.76158 4.3475 8.53424 9.77719 16.4255 9.2146 5.89257 5.1533 4.82199 13.6412 numMergedOcc 0
8 mol 28 unq 4 iso 0 dist 6.31487 6.82151 7.08766 13.6465 16.0765 9.2146 6.14086 3.70336 8.53424 16.4255 numMergedOcc 0
9 mol 28 unq 5 iso 0 dist 6.31487 6.82151 7.08766 13.6465 16.0765 9.2146 7.07851 3.0988 4.82199 13.6412 numMergedOcc 0
10 mol 28 unq 6 iso 0 dist 7.423 4.3475 7.08766 9.77719 16.0765 9.2146 6.76158 3.70336 8.53424 16.4255 numMergedOcc 0
11 mol 28 unq 7 iso 0 dist 7.423 4.3475 7.08766 9.77719 16.0765 9.2146 5.89257 3.0988 4.82199 13.6412 numMergedOcc 0
12 mol 28 unq 8 iso 0 dist 7.07851 6.82151 4.82199 13.6465 13.6412 9.2146 6.14086 5.1533 8.53424 16.4255 numMergedOcc 0
13 mol 28 unq 9 iso 0 dist 7.07851 6.82151 4.82199 13.6465 13.6412 9.2146 6.31487 3.0988 7.08766 16.0765 numMergedOcc 0
14 mol 28 unq 10 iso 0 dist 5.89257 4.3475 4.82199 9.77719 13.6412 9.2146 6.76158 5.1533 8.53424 16.4255 numMergedOcc 0
15 mol 28 unq 11 iso 0 dist 5.89257 4.3475 4.82199 9.77719 13.6412 9.2146 7.423 3.0988 7.08766 16.0765 numMergedOcc 0
16 mol 46 unq 0 iso 0 dist 8.13664 8.59614 3.77542 8.89554 6.08836 5.4713 16.6386 9.4824 9.97314 14.1986 numMergedOcc 0
17 mol 76 unq 0 iso 0 dist 8.26805 6.27527 7.66068 14.8387 9.50354 9.57759 9.68577 6.98219 9.5043 12.0331 numMergedOcc 0
18 mol 76 unq 1 iso 0 dist 8.26805 6.27527 7.66068 14.8387 9.50354 9.57759 11.3425 8.74837 8.34132 9.2434 numMergedOcc 0
19 mol 76 unq 2 iso 0 dist 9.68577 6.27527 9.5043 14.8387 12.0331 9.57759 8.26805 6.98219 7.66068 9.50354 numMergedOcc 0
20 mol 76 unq 3 iso 0 dist 9.68577 6.27527 9.5043 14.8387 12.0331 9.57759 11.3425 4.82479 8.34132 9.2434 numMergedOcc 0
21 mol 113 unq 0 iso 0 dist 9.00481 9.83939 5.31126 15.6211 9.59189 8.67025 12.7706 5.7147 4.49669 10.1118 numMergedOcc 0
22 mol 113 unq 1 iso 0 dist 9.00481 9.83939 5.31126 15.6211 9.59189 8.67025 15.5024 8.09465 6.00221 8.19901 numMergedOcc 0
23 mol 113 unq 2 iso 0 dist 9.00481 9.2752 7.16619 18.7543 13.8379 9.60127 12.7706 5.7147 5.88896 8.39067 numMergedOcc 0
24 mol 123 unq 0 iso 0 dist 7.49032 11.4019 8.03692 13.8007 10.3919 4.14492 14.9057 10.2185 5.56127 8.42496 numMergedOcc 0
25 mol 123 unq 1 iso 0 dist 7.49032 11.4019 8.03692 13.8007 10.3919 4.14492 15.9261 13.0033 5.36214 3.3389 numMergedOcc 0
26 mol 123 unq 2 iso 0 dist 7.04627 8.90549 8.03692 12.0877 10.3919 4.14492 11.7928 10.2185 5.56127 8.42496 numMergedOcc 0
27 mol 123 unq 3 iso 0 dist 7.04627 8.90549 8.03692 12.0877 10.3919 4.14492 13.6512 13.0033 5.36214 3.3389 numMergedOcc 0
28 mol 168 unq 0 iso 0 dist 8.47439 4.18108 5.28353 8.65328 10.919 7.0961 9.57924 6.37254 5.86767 6.06538 numMergedOcc 0
29 mol 168 unq 1 iso 0 dist 8.47439 4.18108 5.28353 11.2284 6.91388 8.21227 9.57924 6.37254 5.86767 9.99868 numMergedOcc 0
30 mol 168 unq 2 iso 0 dist 8.47439 4.18108 5.28353 5.69346 6.65321 6.53038 9.57924 6.37254 5.86767 10.7133 numMergedOcc 0
31 mol 169 unq 0 iso 0 dist 9.3206 9.93901 5.10589 16.199 9.60496 8.6961 12.4468 5.23644 4.63336 10.5251 numMergedOcc 0
32 mol 169 unq 1 iso 0 dist 9.3206 9.93901 5.10589 16.199 9.60496 8.6961 15.4464 7.52063 6.10715 8.67112 numMergedOcc 0
33 mol 186 unq 0 iso 0 dist 7.82717 4.32488 4.87942 10.2573 4.79079 8.17928 8.19926 6.13455 7.25595 3.60793 numMergedOcc 0
34 mol 186 unq 1 iso 0 dist 8.19926 4.32488 7.25595 10.2573 3.60793 8.17928 7.82717 6.13455 4.87942 4.79079 numMergedOcc 0
35 mol 260 unq 0 iso 0 dist 6.02628 5.30931 7.04263 10.7533 8.22506 8.51564 8.98856 8.76827 6.48099 3.68866 numMergedOcc 0
36 mol 260 unq 1 iso 0 dist 5.33278 8.90225 6.48099 7.97307 3.68866 8.51564 10.5948 8.76827 7.04263 8.22506 numMergedOcc 0
37 mol 266 unq 0 iso 0 dist 6.9943 4.58167 6.96692 6.61768 3.68488 8.20376 7.36685 5.76129 8.25286 3.14784 numMergedOcc 0
38 mol 266 unq 1 iso 0 dist 6.9943 4.58167 6.96692 6.61768 3.68488 8.20376 9.03099 8.75066 9.9965 5.95721 numMergedOcc 0
39 mol 266 unq 2 iso 0 dist 7.36685 7.98379 7.8598 6.61768 3.14784 7.72861 9.03099 3.00605 7.80711 5.95721 numMergedOcc 0
40 mol 266 unq 3 iso 0 dist 7.36685 4.58167 8.25286 6.61768 3.14784 8.20376 6.9943 5.76129 6.96692 3.68488 numMergedOcc 0
41 mol 266 unq 4 iso 0 dist 7.36685 4.58167 8.25286 6.61768 3.14784 8.20376 9.03099 3.00605 9.9965 5.95721 numMergedOcc 0
42 mol 266 unq 5 iso 0 dist 9.20906 10.0526 7.80711 14.2324 5.95721 7.72861 11.936 3.00605 7.8598 3.14784 numMergedOcc 0
43 mol 266 unq 6 iso 0 dist 9.20906 16.8584 9.9965 14.2324 5.95721 8.20376 17.4571 8.75066 6.96692 3.68488 numMergedOcc 0
44 mol 266 unq 7 iso 0 dist 9.20906 16.8584 9.9965 14.2324 5.95721 8.20376 11.936 3.00605 8.25286 3.14784 numMergedOcc 0
45 mol 266 unq 8 iso 0 dist 9.03099 7.98379 7.80711 6.61768 5.95721 7.72861 7.36685 3.00605 7.8598 3.14784 numMergedOcc 0
46 mol 266 unq 9 iso 0 dist 9.03099 4.58167 9.9965 6.61768 5.95721 8.20376 6.9943 8.75066 6.96692 3.68488 numMergedOcc 0
47 mol 266 unq 10 iso 0 dist 9.03099 4.58167 9.9965 6.61768 5.95721 8.20376 7.36685 3.00605 8.25286 3.14784 numMergedOcc 0
