0 mol 34 unq 0 iso 0 dist 9.29561 6.68767 6.72467 6.57908 10.0379 8.55901 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 9.04237 6.15423 9.10314 14.8478 10.9345 9.54797 numMergedOcc 0
2 mol 69 unq 0 iso 0 dist 9.06379 10.8237 5.29487 14.1197 6.51655 9.70189 numMergedOcc 0
3 mol 105 unq 0 iso 0 dist 8.22695 11.7644 7.81122 6.60484 5.74792 6.50017 numMergedOcc 0
4 mol 114 unq 0 iso 0 dist 8.25015 4.51826 6.71591 9.31512 5.01204 8.87941 numMergedOcc 0
5 mol 127 unq 0 iso 0 dist 7.88328 4.95538 5.45159 8.97156 10.5932 6.3244 numMergedOcc 0
6 mol 127 unq 1 iso 0 dist 5.33851 4.95538 4.9835 8.97156 7.76684 6.3244 numMergedOcc 0
7 mol 173 unq 0 iso 0 dist 4.85278 6.76195 7.33162 12.5397 14.5546 9.79554 numMergedOcc 0
8 mol 187 unq 0 iso 0 dist 8.71134 5.83106 8.9148 10.464 5.72599 7.01496 numMergedOcc 0
9 mol 194 unq 0 iso 0 dist 4.4558 5.65101 6.8093 6.29314 8.17436 6.41318 numMergedOcc 0
10 mol 227 unq 0 iso 0 dist 6.86845 5.38513 6.37369 9.187 6.0465 6.152 numMergedOcc 0
11 mol 227 unq 1 iso 0 dist 8.97396 4.78441 6.37369 10.7654 6.0465 6.152 numMergedOcc 0
12 mol 228 unq 0 iso 0 dist 8.53297 13.1757 7.81837 19.1409 14.7313 8.37287 numMergedOcc 0
13 mol 228 unq 1 iso 0 dist 9.23333 13.0333 7.81837 21.1623 14.7313 8.37287 numMergedOcc 0
14 mol 228 unq 2 iso 0 dist 7.24491 8.00573 7.81837 16.3293 14.7313 8.37287 numMergedOcc 0
15 mol 228 unq 3 iso 0 dist 6.02491 5.55391 7.81837 13.2842 14.7313 8.37287 numMergedOcc 0
16 mol 228 unq 4 iso 0 dist 9.21065 12.8284 7.97746 20.7061 14.3906 8.07174 numMergedOcc 0
17 mol 228 unq 5 iso 0 dist 7.65917 7.6598 7.97746 15.7054 14.3906 8.07174 numMergedOcc 0
18 mol 228 unq 6 iso 0 dist 5.89577 5.86537 7.97746 13.0696 14.3906 8.07174 numMergedOcc 0
19 mol 228 unq 7 iso 0 dist 8.6694 13.673 7.97746 19.0773 14.3906 8.07174 numMergedOcc 0
20 mol 233 unq 0 iso 0 dist 8.41604 6.99665 5.64376 9.38859 5.19718 9.2911 numMergedOcc 0
21 mol 239 unq 0 iso 0 dist 7.04478 7.32002 4.57548 13.7518 7.57139 7.25543 numMergedOcc 0
22 mol 254 unq 0 iso 0 dist 8.22257 11.1006 8.5372 12.2989 6.69832 6.03988 numMergedOcc 0
23 mol 258 unq 0 iso 0 dist 9.27225 4.7348 6.73928 11.2616 6.42545 7.16259 numMergedOcc 0
24 mol 284 unq 0 iso 0 dist 7.23537 6.33479 6.34235 11.5335 5.13259 7.5746 numMergedOcc 0
