0 mol 45 unq 0 iso 0 dist 6.34173 9.33906 6.00679 5.84319 9.44125 12.4561 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 8.09058 9.17838 8.47849 3.63758 7.03832 11.3818 numMergedOcc 0
2 mol 48 unq 1 iso 0 dist 8.09058 9.17838 8.47849 6.88863 7.16443 11.456 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 8.70133 9.73086 6.15714 4.73407 7.78587 11.6307 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 4.65521 8.68662 6.10063 5.17781 7.78587 13.1414 numMergedOcc 0
5 mol 73 unq 2 iso 0 dist 4.65521 7.4369 6.15714 5.17781 7.78587 11.6307 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 9.49449 9.6952 14.5852 3.69293 8.90522 10.9358 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 5.81965 8.3773 7.94489 12.3859 7.03417 11.5595 numMergedOcc 0
8 mol 127 unq 0 iso 0 dist 9.81878 6.08673 12.2579 12.7606 7.79077 17.4196 numMergedOcc 0
9 mol 141 unq 0 iso 0 dist 6.93652 8.07097 4.22522 6.75624 9.75587 12.9164 numMergedOcc 0
10 mol 142 unq 0 iso 0 dist 7.15475 7.81207 5.26247 4.05822 5.69323 5.42679 numMergedOcc 0
11 mol 142 unq 1 iso 0 dist 7.15475 7.18002 12.2806 4.05822 5.69323 11.1832 numMergedOcc 0
12 mol 142 unq 2 iso 0 dist 9.07935 6.14151 5.26247 4.7832 5.69323 5.42679 numMergedOcc 0
13 mol 184 unq 0 iso 0 dist 9.52936 8.97589 9.68365 7.44296 9.46392 12.3204 numMergedOcc 0
14 mol 184 unq 1 iso 0 dist 9.52936 5.96423 11.6883 7.44296 9.46392 11.9064 numMergedOcc 0
15 mol 204 unq 0 iso 0 dist 5.90931 7.9133 11.2106 6.49075 9.58537 10.9013 numMergedOcc 0
16 mol 213 unq 0 iso 0 dist 8.45368 7.94911 5.9858 9.90805 7.77553 12.875 numMergedOcc 0
17 mol 213 unq 1 iso 0 dist 6.0965 8.21793 4.31175 4.67313 6.8984 9.02881 numMergedOcc 0
18 mol 213 unq 2 iso 0 dist 9.59129 8.21793 4.89372 4.67313 7.77553 9.02881 numMergedOcc 0
19 mol 220 unq 0 iso 0 dist 7.61951 8.2123 4.42755 4.86965 9.43419 11.8153 numMergedOcc 0
20 mol 234 unq 0 iso 0 dist 9.5707 7.81215 11.8229 12.7879 5.69634 11.3034 numMergedOcc 0
21 mol 234 unq 1 iso 0 dist 7.85175 7.81215 10.5304 12.7879 7.91374 11.3034 numMergedOcc 0
22 mol 234 unq 2 iso 0 dist 9.39181 5.64285 6.45373 11.1346 6.81195 11.3034 numMergedOcc 0
23 mol 238 unq 0 iso 0 dist 5.9216 8.82351 4.40419 4.56594 8.54425 11.5891 numMergedOcc 0
24 mol 259 unq 0 iso 0 dist 7.48005 9.63573 9.98303 6.65799 9.28024 15.6825 numMergedOcc 0
25 mol 259 unq 1 iso 0 dist 7.48005 7.66153 14.0829 6.65799 9.28024 13.4331 numMergedOcc 0
26 mol 259 unq 2 iso 0 dist 6.77938 8.03219 8.90322 5.96249 8.22608 12.3781 numMergedOcc 0
27 mol 259 unq 3 iso 0 dist 6.77938 8.03219 8.90322 5.97386 5.23503 12.1864 numMergedOcc 0
28 mol 259 unq 4 iso 0 dist 6.77938 6.9899 9.2872 5.96249 8.22608 12.745 numMergedOcc 0
29 mol 259 unq 5 iso 0 dist 6.77938 6.9899 9.2872 5.97386 5.23503 10.838 numMergedOcc 0
30 mol 259 unq 6 iso 0 dist 7.76676 8.03219 7.27192 5.97386 9.61028 12.1864 numMergedOcc 0
31 mol 259 unq 7 iso 0 dist 7.76676 6.9899 4.61451 5.97386 9.61028 10.838 numMergedOcc 0
32 mol 277 unq 0 iso 0 dist 9.41725 9.35539 7.07508 7.75371 9.62597 10.9065 numMergedOcc 0
33 mol 277 unq 1 iso 0 dist 9.41725 8.9682 18.3854 7.75371 9.62597 13.9096 numMergedOcc 0
34 mol 277 unq 2 iso 0 dist 9.41725 6.92711 16.1088 7.75371 9.62597 11.5963 numMergedOcc 0
