0 mol 58 unq 0 iso 0 dist 9.55426 7.32874 5.90225 6.81627 9.7274 5.47421 10.6169 9.4099 11.396 15.2973 6.75888 6.31428 6.40841 10.335 5.11205 5.61579 13.1897 8.69057 5.38524 15.561 11.0945 numMergedOcc 0
1 mol 73 unq 0 iso 0 dist 9.96396 6.19304 5.4148 8.70481 14.9342 13.3558 15.7123 9.38498 10.2049 20.257 7.41074 8.70133 4.65521 15.9587 13.4082 11.2069 13.3207 13.8368 5.5087 19.0013 17.2861 numMergedOcc 0
2 mol 73 unq 1 iso 0 dist 9.96396 6.19304 5.4148 8.70481 14.9342 13.3558 15.7123 9.38498 10.2049 20.257 7.41074 8.70133 4.65521 15.9587 13.4082 10.6713 14.498 14.5999 6.08682 21.9204 16.8311 numMergedOcc 0
3 mol 73 unq 2 iso 0 dist 9.96396 6.19304 5.4148 8.70481 14.9342 13.3558 12.016 9.75218 11.6369 10.1207 7.41074 8.70133 4.65521 15.9587 15.9882 11.2069 13.3207 13.8368 5.5087 6.19168 17.2861 numMergedOcc 0
4 mol 73 unq 3 iso 0 dist 9.96396 6.19304 5.4148 8.70481 14.9342 13.3558 12.016 9.75218 11.6369 10.1207 7.41074 8.70133 4.65521 15.9587 15.9882 10.6713 14.498 14.5999 6.08682 10.532 16.8311 numMergedOcc 0
5 mol 100 unq 0 iso 0 dist 6.56369 7.47343 12.6515 6.65086 7.80879 8.8807 5.88134 9.35224 12.0662 9.60661 10.1589 15.8984 8.72704 10.5193 10.1499 6.23008 11.5088 9.76432 8.91882 4.03277 6.13211 numMergedOcc 0
6 mol 115 unq 0 iso 0 dist 5.83991 7.88312 8.02349 7.30858 10.8507 11.5723 7.69052 9.33865 6.11741 13.8473 11.7126 13.9977 6.99777 11.695 10.8292 5.03039 10.5599 11.8378 6.04595 11.1447 13.2709 numMergedOcc 0
7 mol 115 unq 1 iso 0 dist 5.83991 7.88312 8.02349 7.30858 10.8507 11.5723 7.69052 9.33865 6.11741 13.8473 4.62962 9.65429 9.14376 10.0603 6.12943 5.03039 10.5599 11.8378 6.04595 11.1447 5.53947 numMergedOcc 0
8 mol 115 unq 2 iso 0 dist 7.88312 5.83991 8.02349 7.30858 11.5723 10.8507 7.69052 6.11741 9.33865 13.8473 10.9739 12.9821 7.76729 17.6696 10.7942 5.03039 11.8378 10.5599 6.04595 11.1447 15.1254 numMergedOcc 0
9 mol 117 unq 0 iso 0 dist 7.90328 7.83136 7.22206 7.0603 9.3584 7.21564 13.1058 9.84395 16.5575 17.163 4.91401 6.62561 7.63616 10.6107 11.3679 3.55765 10.4223 8.19331 8.85711 15.7476 5.56883 numMergedOcc 0
10 mol 134 unq 0 iso 0 dist 8.94367 6.49416 8.80819 6.37586 5.49782 5.00817 6.81259 9.86662 12.5075 9.71307 5.41704 8.79571 8.6355 5.42582 6.17103 6.95573 13.9752 9.55584 9.33924 10.2026 6.0991 numMergedOcc 0
11 mol 134 unq 1 iso 0 dist 8.94367 6.49416 8.80819 6.37586 5.49782 5.00817 6.81259 9.86662 12.5075 9.71307 5.41704 8.79571 8.6355 5.42582 6.17103 8.06642 7.21868 11.988 7.93372 4.00092 5.67107 numMergedOcc 0
12 mol 134 unq 2 iso 0 dist 6.37586 6.49416 5.00817 8.94367 5.49782 8.80819 6.81259 9.71307 12.5075 9.86662 5.41704 5.42582 8.6355 8.79571 6.17103 8.06642 7.93372 11.988 7.21868 4.00092 5.67107 numMergedOcc 0
13 mol 134 unq 3 iso 0 dist 6.49416 8.94367 8.80819 6.37586 5.00817 5.49782 5.00526 6.54501 11.9139 9.5126 5.41704 8.6355 8.79571 5.42582 10.1448 6.95573 9.55584 13.9752 9.33924 9.45357 6.0991 numMergedOcc 0
14 mol 134 unq 4 iso 0 dist 6.49416 8.94367 8.80819 6.37586 5.00817 5.49782 5.00526 6.54501 11.9139 9.5126 5.41704 8.6355 8.79571 5.42582 10.1448 8.06642 11.988 7.21868 7.93372 12.847 5.67107 numMergedOcc 0
15 mol 134 unq 5 iso 0 dist 6.49416 6.37586 5.00817 8.94367 8.80819 5.49782 5.00526 6.54501 9.5126 11.9139 5.41704 8.6355 5.42582 8.79571 10.1448 8.06642 11.988 7.93372 7.21868 12.847 5.67107 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 5.98885 9.15386 5.16002 9.1374 8.88798 12.1628 10.1912 9.09537 12.9862 15.0228 8.25067 10.8351 9.6668 13.2702 17.441 12.9532 13.2783 18.2853 9.76212 12.7791 20.3687 numMergedOcc 0
17 mol 224 unq 0 iso 0 dist 6.57273 8.95269 4.70378 5.78342 8.49799 11.5372 5.0744 6.60589 9.99123 9.16166 9.36098 10.0414 7.06793 12.7072 12.5195 7.05804 8.79428 13.2325 6.8692 5.76843 16.0684 numMergedOcc 0
18 mol 224 unq 1 iso 0 dist 6.57273 8.95269 4.70378 5.78342 8.49799 11.5372 5.0744 6.60589 9.99123 9.16166 5.29877 6.65984 6.67585 10.667 6.12232 7.05804 8.79428 13.2325 6.8692 5.76843 10.9705 numMergedOcc 0
19 mol 224 unq 2 iso 0 dist 5.78342 8.95269 11.5372 6.57273 8.49799 4.70378 5.0744 9.16166 9.99123 6.60589 9.36098 12.7072 7.06793 10.0414 12.5195 7.05804 6.8692 13.2325 8.79428 5.76843 16.0684 numMergedOcc 0
20 mol 224 unq 3 iso 0 dist 5.78342 8.95269 11.5372 6.57273 8.49799 4.70378 5.0744 9.16166 9.99123 6.60589 5.29877 10.667 6.67585 6.65984 6.12232 7.05804 6.8692 13.2325 8.79428 5.76843 10.9705 numMergedOcc 0
21 mol 224 unq 4 iso 0 dist 5.78342 8.95269 11.5372 6.57273 8.49799 4.70378 5.60236 5.81334 14.0676 10.5128 9.36098 12.7072 7.06793 10.0414 14.7761 7.05804 6.8692 13.2325 8.79428 4.54188 16.0684 numMergedOcc 0
22 mol 224 unq 5 iso 0 dist 5.78342 8.95269 11.5372 6.57273 8.49799 4.70378 5.60236 5.81334 14.0676 10.5128 5.29877 10.667 6.67585 6.65984 10.449 7.05804 6.8692 13.2325 8.79428 4.54188 10.9705 numMergedOcc 0
23 mol 224 unq 6 iso 0 dist 9.16166 6.60589 8.49799 6.65832 11.328 6.77699 5.0744 5.78342 6.57273 10.103 6.12232 10.667 6.65984 11.0097 5.29877 5.76843 6.8692 8.79428 6.99769 7.05804 10.9705 numMergedOcc 0
24 mol 224 unq 7 iso 0 dist 9.16166 6.60589 8.49799 6.65832 11.328 6.77699 6.91102 5.81334 10.5128 10.9745 6.12232 10.667 6.65984 11.0097 10.449 5.76843 6.8692 8.79428 6.99769 4.54188 10.9705 numMergedOcc 0
25 mol 227 unq 0 iso 0 dist 7.22101 7.55216 12.4689 8.65997 5.22356 12.9332 4.39704 7.09863 10.0334 10.8157 11.662 15.9414 8.83563 18.8667 10.614 5.0317 5.23634 12.3663 6.91318 5.83175 15.9047 numMergedOcc 0
26 mol 252 unq 0 iso 0 dist 9.2288 8.33025 8.41807 7.19638 11.7918 14.9102 6.0987 8.1715 8.1148 10.5136 9.37715 10.165 7.66365 14.7097 4.23801 7.40852 10.5687 13.1298 7.15764 5.6214 9.43777 numMergedOcc 0
