0 mol 1 unq 0 iso 0 dist 8.61411 9.44115 5.972 5.55519 5.74199 9.78935 6.44928 11.5768 8.56884 10.8375 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 9.56648 9.05346 5.1298 10.143 7.88676 9.47421 4.78943 9.18436 7.03948 12.558 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 9.56648 9.05346 5.1298 10.143 7.88676 9.47421 5.48395 5.84479 5.47769 5.66097 numMergedOcc 0
3 mol 16 unq 2 iso 0 dist 9.56648 9.05346 5.1298 10.143 7.88676 9.47421 10.1011 8.67719 6.58035 6.06561 numMergedOcc 0
4 mol 99 unq 0 iso 0 dist 5.33644 4.74654 5.17028 6.02095 6.81741 9.46619 7.79079 11.5944 7.72108 11.4646 numMergedOcc 0
5 mol 100 unq 0 iso 0 dist 6.97361 7.90328 5.07584 6.46237 5.61016 9.35867 10.071 11.4822 9.39469 10.9193 numMergedOcc 0
6 mol 100 unq 1 iso 0 dist 6.97361 7.90328 5.07584 6.46237 5.61016 9.35867 5.89399 7.88564 4.76815 9.7552 numMergedOcc 0
7 mol 100 unq 2 iso 0 dist 8.52125 7.90328 7.59628 5.60763 7.11187 10.4737 10.071 13.6378 9.39469 11.4731 numMergedOcc 0
8 mol 100 unq 3 iso 0 dist 8.52125 7.90328 7.59628 5.60763 7.11187 10.4737 5.89399 6.78459 4.76815 6.67262 numMergedOcc 0
9 mol 100 unq 4 iso 0 dist 8.52125 7.90328 7.59628 13.5152 6.60356 12.0659 10.071 13.6378 9.39469 15.2615 numMergedOcc 0
10 mol 100 unq 5 iso 0 dist 8.52125 7.90328 7.59628 13.5152 6.60356 12.0659 5.89399 6.78459 4.76815 9.96864 numMergedOcc 0
11 mol 183 unq 0 iso 0 dist 9.92635 7.42108 16.8061 13.34 6.21267 20.7513 4.81807 9.34207 9.93083 12.602 numMergedOcc 0
12 mol 183 unq 1 iso 0 dist 9.92635 7.42108 16.8061 13.34 6.21267 20.7513 7.79648 15.8696 7.01383 18.8279 numMergedOcc 0
13 mol 183 unq 2 iso 0 dist 9.92635 7.42108 16.8061 13.9426 7.41743 20.4808 4.81807 9.34207 9.93083 10.7658 numMergedOcc 0
14 mol 183 unq 3 iso 0 dist 9.92635 7.42108 16.8061 13.9426 7.41743 20.4808 7.79648 15.8696 7.01383 16.9015 numMergedOcc 0
15 mol 197 unq 0 iso 0 dist 7.56537 9.62514 10.1284 5.79567 8.51118 14.8934 4.57437 8.64255 8.99696 8.58314 numMergedOcc 0
16 mol 197 unq 1 iso 0 dist 9.89975 9.62514 16.3081 5.79567 6.5 14.8934 4.57437 10.499 8.99696 8.58314 numMergedOcc 0
17 mol 218 unq 0 iso 0 dist 6.2441 8.27907 11.0649 7.15853 4.61671 13.931 10.2817 15.5215 7.18041 16.6382 numMergedOcc 0
18 mol 218 unq 1 iso 0 dist 6.2441 8.27907 11.0649 5.7173 8.44004 10.5954 10.2817 15.5215 7.18041 10.9566 numMergedOcc 0
19 mol 227 unq 0 iso 0 dist 6.14732 8.82471 6.07589 7.27568 5.2851 6.20188 10.9746 9.18675 5.86443 5.14019 numMergedOcc 0
20 mol 238 unq 0 iso 0 dist 9.46728 9.46582 6.23871 4.13744 5.57184 6.40309 9.23693 5.24313 7.67322 7.01206 numMergedOcc 0
21 mol 238 unq 1 iso 0 dist 9.46728 9.77231 10.1372 4.13744 5.57184 7.87164 15.3161 16.8553 9.68513 14.8949 numMergedOcc 0
22 mol 238 unq 2 iso 0 dist 9.46728 9.77231 10.1372 4.13744 5.57184 7.87164 9.18011 16.0821 9.29858 11.2453 numMergedOcc 0
23 mol 259 unq 0 iso 0 dist 7.97113 8.46351 11.1732 6.92619 8.91916 12.0867 5.59901 10.0766 7.76676 12.3834 numMergedOcc 0
24 mol 259 unq 1 iso 0 dist 5.22111 8.46351 9.53336 9.98638 9.45077 17.321 5.59901 9.52383 7.76676 15.3022 numMergedOcc 0
25 mol 259 unq 2 iso 0 dist 5.22111 8.46351 9.53336 6.92619 4.55368 12.0867 5.59901 9.52383 7.76676 12.3834 numMergedOcc 0
