0 mol 32 unq 0 iso 0 dist 7.33936 9.21854 8.34024 7.9487 7.18766 12.8992 numMergedOcc 0
1 mol 32 unq 1 iso 0 dist 7.33936 9.21854 8.34024 12.0126 7.48825 8.39998 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 6.72467 6.71226 8.82122 10.0379 8.55901 15.3157 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 9.10314 11.7008 9.18584 10.9345 9.54797 13.7656 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 8.61926 10.8544 9.14856 5.68492 8.4517 5.78769 numMergedOcc 0
5 mol 69 unq 0 iso 0 dist 5.29487 7.48749 7.78321 6.51655 9.70189 4.68683 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 8.84839 12.433 7.1249 6.00832 9.46312 12.6891 numMergedOcc 0
7 mol 127 unq 0 iso 0 dist 5.45159 4.24061 8.20636 10.5932 6.3244 13.4385 numMergedOcc 0
8 mol 127 unq 1 iso 0 dist 5.45159 11.1968 8.03243 10.5932 6.3244 7.34983 numMergedOcc 0
9 mol 127 unq 2 iso 0 dist 4.9835 9.66028 8.20636 7.76684 6.3244 13.4385 numMergedOcc 0
10 mol 127 unq 3 iso 0 dist 4.9835 6.02157 8.03243 7.76684 6.3244 7.34983 numMergedOcc 0
11 mol 133 unq 0 iso 0 dist 6.61636 8.08082 8.25207 10.6348 9.94276 11.0805 numMergedOcc 0
12 mol 133 unq 1 iso 0 dist 6.61636 8.08082 8.25207 6.47676 9.05357 5.6216 numMergedOcc 0
13 mol 133 unq 2 iso 0 dist 6.61636 8.08082 8.25207 6.95294 5.99299 11.5803 numMergedOcc 0
14 mol 140 unq 0 iso 0 dist 5.40251 4.79819 7.79467 7.15311 5.63811 5.36419 numMergedOcc 0
15 mol 155 unq 0 iso 0 dist 8.54318 5.2941 5.64806 6.40439 6.51096 5.84938 numMergedOcc 0
16 mol 155 unq 1 iso 0 dist 8.54318 5.2941 5.64806 6.76022 8.73171 9.52867 numMergedOcc 0
17 mol 173 unq 0 iso 0 dist 7.33162 15.6753 9.25763 14.5546 9.79554 5.56282 numMergedOcc 0
18 mol 173 unq 1 iso 0 dist 7.33162 16.6412 9.63102 14.5546 9.79554 7.17381 numMergedOcc 0
19 mol 227 unq 0 iso 0 dist 6.37369 9.25003 8.11377 6.0465 6.152 10.3655 numMergedOcc 0
20 mol 228 unq 0 iso 0 dist 8.10816 6.74578 9.58356 6.24124 8.37287 10.3782 numMergedOcc 0
21 mol 228 unq 1 iso 0 dist 7.81837 16.0476 9.58356 14.7313 8.37287 10.3782 numMergedOcc 0
22 mol 228 unq 2 iso 0 dist 7.95486 6.68691 9.29522 6.22795 8.07174 10.3257 numMergedOcc 0
23 mol 228 unq 3 iso 0 dist 7.97746 16.1131 9.29522 14.3906 8.07174 10.3257 numMergedOcc 0
24 mol 239 unq 0 iso 0 dist 4.57548 6.54029 5.73804 7.57139 7.25543 9.73112 numMergedOcc 0
25 mol 254 unq 0 iso 0 dist 8.5372 9.73538 9.89583 6.69832 6.03988 12.9504 numMergedOcc 0
26 mol 293 unq 0 iso 0 dist 8.93207 4.04746 7.59622 10.3752 9.70656 7.67133 numMergedOcc 0
27 mol 293 unq 1 iso 0 dist 8.93207 4.04746 7.59622 9.54091 6.33356 6.09311 numMergedOcc 0
28 mol 293 unq 2 iso 0 dist 7.2668 8.09709 7.59622 9.52493 9.70656 7.67133 numMergedOcc 0
29 mol 293 unq 3 iso 0 dist 7.2668 8.09709 7.59622 9.50787 6.33356 6.09311 numMergedOcc 0
30 mol 293 unq 4 iso 0 dist 8.88355 10.8403 7.59622 6.17637 9.70656 7.67133 numMergedOcc 0
31 mol 293 unq 5 iso 0 dist 8.88355 10.8403 7.59622 7.77971 6.33356 6.09311 numMergedOcc 0
32 mol 294 unq 0 iso 0 dist 8.05845 5.61811 9.20616 5.49132 7.72845 5.9596 numMergedOcc 0
33 mol 294 unq 1 iso 0 dist 8.73893 7.6162 9.20616 10.5548 7.72845 5.9596 numMergedOcc 0
