0 mol 16 unq 0 iso 0 dist 8.17898 5.72175 5.05803 10.6491 6.92781 6.31718 10.1395 9.18436 5.35079 5.84479 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 7.46752 5.66097 7.63133 10.8592 10.8455 6.31718 10.3638 9.79958 5.45161 8.33883 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 6.85331 9.20254 6.86014 10.4452 10.0952 8.86116 5.06937 10.6042 9.59761 9.90845 numMergedOcc 0
3 mol 109 unq 0 iso 0 dist 8.46734 6.43998 7.34473 10.1051 7 8.58044 11.6409 8.21889 5.5332 9.74643 numMergedOcc 0
4 mol 109 unq 1 iso 0 dist 8.46734 6.43998 7.34473 14.4597 8.40993 9.97763 11.6409 8.21889 5.5332 6.86702 numMergedOcc 0
5 mol 127 unq 0 iso 0 dist 6.65963 10.345 8.14887 8.62711 7.30196 9.30299 15.8417 12.4824 9.75166 8.40046 numMergedOcc 0
6 mol 133 unq 0 iso 0 dist 7.15203 5.38237 7.24514 12.6562 6.761 9.91388 16.5541 14.1743 11.6637 9.48243 numMergedOcc 0
7 mol 134 unq 0 iso 0 dist 7.97208 12.5576 6.54501 11.8406 5.79898 9.89303 18.9703 11.4625 11.454 7.78849 numMergedOcc 0
8 mol 224 unq 0 iso 0 dist 4.79841 11.4653 8.95269 9.04374 4.70378 6.57273 9.46589 9.34636 5.63485 9.79616 numMergedOcc 0
9 mol 224 unq 1 iso 0 dist 4.79841 11.4653 8.95269 15.1903 11.5372 5.78342 13.9521 12.8171 4.8786 9.29703 numMergedOcc 0
10 mol 224 unq 2 iso 0 dist 7.25658 5.38198 6.65832 10.8312 6.77699 6.60589 14.0481 14.828 9.36962 9.79616 numMergedOcc 0
11 mol 224 unq 3 iso 0 dist 7.25658 5.38198 6.65832 11.1589 11.328 9.16166 10.118 13.5897 7.18448 9.29703 numMergedOcc 0
12 mol 236 unq 0 iso 0 dist 9.97357 16.5918 8.35971 16.6071 7.43758 8.04248 21.0007 12.9448 6.0258 9.10613 numMergedOcc 0
13 mol 259 unq 0 iso 0 dist 6.96379 12.7595 7.88519 11.1532 6.96053 7.46176 15.3321 13.8509 14.8465 7.93997 numMergedOcc 0
14 mol 261 unq 0 iso 0 dist 9.43169 6.5875 6.05727 7.15785 5.51688 8.02547 6.13416 13.3636 10.5691 9.62828 numMergedOcc 0
15 mol 272 unq 0 iso 0 dist 4.78812 5.27123 8.33638 6.62923 5.40809 8.46116 6.07797 10.342 6.72149 9.1118 numMergedOcc 0
16 mol 272 unq 1 iso 0 dist 6.62923 5.27123 8.46116 4.78812 5.40809 8.33638 8.20642 11.7245 9.58279 6.94346 numMergedOcc 0
17 mol 280 unq 0 iso 0 dist 9.26066 12.5899 6.53701 12.5331 5.51836 6.0664 15.4857 11.1402 4.95798 8.85762 numMergedOcc 0
