0 mol 1 unq 0 iso 0 dist 9.60596 15.5095 7.73435 17.3259 7.94662 9.12196 12.4943 6.09918 7.4817 9.00903 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 5.87266 6.06761 5.55437 14.995 11.0722 9.78006 9.00459 8.83269 3.98483 8.57077 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 9.60462 5.20712 5.55437 11.063 11.0722 9.78006 6.42716 8.83269 3.98483 8.57077 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 5.78238 13.3639 9.38831 9.90845 5.97304 6.72502 9.59761 6.60423 6.58998 8.86116 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 5.78238 13.3639 9.38831 9.90845 5.97304 6.72502 9.89489 9.0934 6.59374 8.38394 numMergedOcc 0
5 mol 43 unq 0 iso 0 dist 9.33162 4.91809 7.31982 13.3752 7.05402 9.93832 13.9194 10.0649 9.06158 8.80331 numMergedOcc 0
6 mol 43 unq 1 iso 0 dist 9.33162 4.91809 7.31982 12.2944 5.48048 8.60739 9.97169 8.44903 5.64171 5.73819 numMergedOcc 0
7 mol 43 unq 2 iso 0 dist 9.33162 4.91809 7.31982 12.2944 5.48048 8.60739 13.9194 10.0649 9.06158 6.20293 numMergedOcc 0
8 mol 43 unq 3 iso 0 dist 9.33162 4.91809 7.31982 12.2944 5.48048 8.60739 15.4668 13.5072 11.3891 8.93915 numMergedOcc 0
9 mol 43 unq 4 iso 0 dist 9.41473 5.31824 7.31982 12.49 5.64171 8.44903 10.2523 8.60739 5.48048 5.73819 numMergedOcc 0
10 mol 143 unq 0 iso 0 dist 6.63984 6.40361 5.73236 14.6695 10.8441 8.41611 18.4519 13.4668 12.7056 5.99315 numMergedOcc 0
11 mol 156 unq 0 iso 0 dist 8.99141 13.0334 5.90883 11.0902 6.44255 5.38091 5.73002 9.43259 10.7023 8.34702 numMergedOcc 0
12 mol 156 unq 1 iso 0 dist 8.99141 13.0334 5.90883 11.0902 6.44255 5.38091 11.2941 11.1392 9.00862 9.06726 numMergedOcc 0
13 mol 156 unq 2 iso 0 dist 8.99141 13.0334 5.90883 11.0902 6.44255 5.38091 12.1682 12.8935 11.1271 8.33171 numMergedOcc 0
14 mol 156 unq 3 iso 0 dist 5.85349 6.00736 4.9941 11.0902 5.82636 7.73169 5.73002 6.2319 5.71107 8.34702 numMergedOcc 0
15 mol 156 unq 4 iso 0 dist 5.85349 6.00736 4.9941 11.0902 5.82636 7.73169 11.2941 9.97732 11.2067 9.06726 numMergedOcc 0
16 mol 156 unq 5 iso 0 dist 5.85349 6.00736 4.9941 11.0902 5.82636 7.73169 12.1682 10.5243 9.44399 8.33171 numMergedOcc 0
17 mol 156 unq 6 iso 0 dist 5.85349 13.0334 8.06913 11.0902 5.82636 5.38091 5.73002 6.2319 10.7023 8.34702 numMergedOcc 0
18 mol 156 unq 7 iso 0 dist 5.85349 13.0334 8.06913 11.0902 5.82636 5.38091 11.2941 9.97732 9.00862 9.06726 numMergedOcc 0
19 mol 156 unq 8 iso 0 dist 5.85349 13.0334 8.06913 11.0902 5.82636 5.38091 12.1682 10.5243 11.1271 8.33171 numMergedOcc 0
20 mol 156 unq 9 iso 0 dist 8.86912 6.85562 5.90883 14.041 10.7023 9.43259 7.46358 5.38091 6.44255 8.34702 numMergedOcc 0
21 mol 156 unq 10 iso 0 dist 8.86912 8.40013 8.06913 14.041 10.7023 6.2319 7.46358 5.38091 5.82636 8.34702 numMergedOcc 0
22 mol 156 unq 11 iso 0 dist 8.86912 8.40013 8.06913 15.9053 9.00862 9.97732 7.46358 5.38091 5.82636 9.06726 numMergedOcc 0
23 mol 156 unq 12 iso 0 dist 8.60938 6.88531 5.90883 10.8757 6.44255 5.38091 16.8259 9.43259 10.7023 8.34702 numMergedOcc 0
24 mol 156 unq 13 iso 0 dist 8.60938 6.88531 5.90883 10.8757 6.44255 5.38091 15.6447 11.1392 9.00862 9.06726 numMergedOcc 0
25 mol 156 unq 14 iso 0 dist 8.60938 6.88531 5.90883 10.8757 6.44255 5.38091 17.9463 12.8935 11.1271 8.33171 numMergedOcc 0
26 mol 175 unq 0 iso 0 dist 5.32236 11.9192 7.32419 9.00898 4.24624 5.4969 5.96451 8.0154 12.3408 9.29945 numMergedOcc 0
27 mol 175 unq 1 iso 0 dist 5.32236 11.0956 8.31961 9.00898 4.24624 6.4318 5.96451 8.0154 8.68081 9.29945 numMergedOcc 0
28 mol 186 unq 0 iso 0 dist 9.51006 8.13761 7.55358 13.2605 4.37002 8.64409 11.1286 6.85302 9.97575 9.09754 numMergedOcc 0
29 mol 186 unq 1 iso 0 dist 9.05979 6.46459 7.55358 11.1735 12.7155 7.20574 13.9339 15.9107 8.90184 7.54065 numMergedOcc 0
30 mol 186 unq 2 iso 0 dist 9.05979 6.46459 7.55358 12.6312 9.97575 6.85302 13.9339 15.9107 8.90184 8.87694 numMergedOcc 0
31 mol 186 unq 3 iso 0 dist 9.05979 6.46459 7.55358 12.6312 9.97575 6.85302 8.86145 8.64409 4.37002 9.09754 numMergedOcc 0
32 mol 186 unq 4 iso 0 dist 9.05979 11.9182 7.60991 12.6312 9.97575 9.98215 13.9339 15.9107 12.8303 8.87694 numMergedOcc 0
33 mol 186 unq 5 iso 0 dist 9.05979 11.9182 7.60991 12.6312 9.97575 9.98215 8.86145 8.64409 4.64235 9.09754 numMergedOcc 0
34 mol 186 unq 6 iso 0 dist 9.39664 10.763 7.60991 10.9329 4.64235 8.64409 5.43796 9.98215 9.97575 9.09754 numMergedOcc 0
35 mol 227 unq 0 iso 0 dist 5.05201 11.6645 9.56257 13.9401 11.0628 8.03442 12.1973 12.9778 10.2525 9.34734 numMergedOcc 0
36 mol 227 unq 1 iso 0 dist 5.05201 11.6645 9.56257 13.9401 11.0628 8.03442 9.08827 8.38865 10.5813 7.22101 numMergedOcc 0
37 mol 227 unq 2 iso 0 dist 5.05201 11.6645 9.56257 13.9401 11.0628 8.03442 5.70988 5.4694 7.22396 8.65997 numMergedOcc 0
38 mol 227 unq 3 iso 0 dist 5.05201 11.6645 9.56257 13.9401 11.0628 8.03442 15.1406 13.9676 6.10296 7.56888 numMergedOcc 0
39 mol 227 unq 4 iso 0 dist 5.05201 11.6645 9.56257 13.9401 11.0628 8.03442 18.6191 16.9219 9.69537 7.55216 numMergedOcc 0
40 mol 252 unq 0 iso 0 dist 6.88874 7.37634 8.55481 9.89226 6.28227 6.53679 16.5881 12.322 11.056 8.1148 numMergedOcc 0
41 mol 252 unq 1 iso 0 dist 6.88874 7.37634 8.55481 9.89226 6.28227 6.53679 12.5855 12.2615 5.23748 8.1715 numMergedOcc 0
42 mol 252 unq 2 iso 0 dist 6.88874 7.37634 8.55481 9.73021 5.25252 7.50201 16.5881 12.322 11.056 8.33025 numMergedOcc 0
43 mol 252 unq 3 iso 0 dist 6.88874 7.37634 8.55481 9.73021 5.25252 7.50201 12.5855 12.2615 5.23748 9.2288 numMergedOcc 0
44 mol 252 unq 4 iso 0 dist 6.88874 7.37634 8.55481 9.73021 5.25252 7.50201 5.26867 6.86945 7.63376 7.19638 numMergedOcc 0
45 mol 294 unq 0 iso 0 dist 8.11918 6.08162 7.41079 12.3929 12.0308 9.13907 10.3797 12.1586 5.25615 8.15665 numMergedOcc 0
