0 mol 44 unq 0 iso 0 dist 9.96265 7.61923 6.16718 11.0602 9.74935 5.87258 11.3936 8.36953 4.6365 8.47518 numMergedOcc 0
1 mol 44 unq 1 iso 0 dist 9.70459 5.11941 6.16718 6.3575 9.74935 5.87258 9.17447 8.36953 4.6365 8.47518 numMergedOcc 0
2 mol 44 unq 2 iso 0 dist 7.78905 5.84744 6.16718 5.73343 9.74935 5.87258 10.39 8.36953 4.6365 8.47518 numMergedOcc 0
3 mol 56 unq 0 iso 0 dist 7.20538 7.93171 9.96534 5.16581 10.9983 5.62688 11.2938 11.4314 8.68463 9.94735 numMergedOcc 0
4 mol 56 unq 1 iso 0 dist 7.20538 7.93171 9.96534 5.16581 10.9983 5.62688 13.9783 18.0328 10.5328 9.44388 numMergedOcc 0
5 mol 98 unq 0 iso 0 dist 5.9747 7.34638 7.03983 11.1108 8.05602 4.79891 13.7168 12.5137 6.40382 5.26536 numMergedOcc 0
6 mol 98 unq 1 iso 0 dist 4.50572 6.0995 7.03983 9.17639 8.05602 4.79891 12.1364 12.5137 6.40382 5.26536 numMergedOcc 0
7 mol 129 unq 0 iso 0 dist 6.38163 6.53559 6.28232 8.56696 6.23966 8.46972 11.3549 5.12351 9.14454 7.26325 numMergedOcc 0
8 mol 130 unq 0 iso 0 dist 5.49877 5.82945 4.97996 5.76927 9.77934 9.58844 5.74058 5.21262 6.5713 6.21554 numMergedOcc 0
9 mol 155 unq 0 iso 0 dist 4.44292 7.25009 7.10286 11.1511 13.3396 8.14405 16.39 17.5523 10.5172 8.3622 numMergedOcc 0
10 mol 171 unq 0 iso 0 dist 6.07091 6.51523 7.5383 12.1824 14.7738 8.09699 11.3235 12.4928 5.35456 4.59484 numMergedOcc 0
11 mol 205 unq 0 iso 0 dist 8.10287 8.69512 6.37317 7.43264 10.8041 7.84418 5.47586 7.78052 10.4922 8.27071 numMergedOcc 0
12 mol 205 unq 1 iso 0 dist 8.10287 8.69512 6.37317 12.1402 11.5674 6.92823 12.1567 12.3312 6.22981 8.63185 numMergedOcc 0
13 mol 205 unq 2 iso 0 dist 8.10287 8.69512 6.37317 12.1402 11.5674 6.92823 10.6964 5.47046 4.7106 7.25362 numMergedOcc 0
14 mol 205 unq 3 iso 0 dist 5.4913 8.69512 12.8695 7.43264 12.0942 7.84418 5.47586 5.58339 10.4922 8.27071 numMergedOcc 0
15 mol 205 unq 4 iso 0 dist 5.4913 8.69512 12.8695 12.1402 16.6431 6.92823 12.1567 17.2191 6.22981 8.63185 numMergedOcc 0
16 mol 205 unq 5 iso 0 dist 5.4913 8.69512 12.8695 12.1402 16.6431 6.92823 10.6964 13.5332 4.7106 7.25362 numMergedOcc 0
17 mol 212 unq 0 iso 0 dist 5.87223 5.03184 3.9436 9.60101 10.0663 8.43638 8.09185 5.3615 7.52135 7.98724 numMergedOcc 0
18 mol 222 unq 0 iso 0 dist 7.85877 8.86886 8.34852 6.45821 11.7367 7.61739 4.87053 9.84386 6.4817 5.17916 numMergedOcc 0
19 mol 224 unq 0 iso 0 dist 8.39002 6.32334 7.05804 4.61429 9.73411 5.31916 11.4177 11.2298 5.81697 8.18749 numMergedOcc 0
20 mol 224 unq 1 iso 0 dist 8.46129 6.32334 5.76843 4.61429 10.1632 5.31916 11.4177 10.5034 5.81697 8.18749 numMergedOcc 0
21 mol 224 unq 2 iso 0 dist 9.2053 6.32334 4.54188 4.61429 7.75485 5.31916 11.4177 5.95421 5.81697 8.18749 numMergedOcc 0
22 mol 238 unq 0 iso 0 dist 9.66555 6.96382 6.82305 5.12308 4.87108 5.41453 5.83514 10.3683 4.70535 7.75366 numMergedOcc 0
