0 mol 5 unq 0 iso 0 dist 5.2392 8.54255 9.13355 6.70655 4.59167 6.99733 numMergedOcc 0
1 mol 44 unq 0 iso 0 dist 7.61923 11.0602 5.87258 11.3936 4.6365 8.47518 numMergedOcc 0
2 mol 44 unq 1 iso 0 dist 5.11941 6.3575 5.87258 9.17447 4.6365 8.47518 numMergedOcc 0
3 mol 44 unq 2 iso 0 dist 5.84744 5.73343 5.87258 10.39 4.6365 8.47518 numMergedOcc 0
4 mol 44 unq 3 iso 0 dist 7.7864 3.97557 5.87258 11.1429 4.6365 8.47518 numMergedOcc 0
5 mol 46 unq 0 iso 0 dist 7.57749 7.35107 6.03151 8.18251 6.28248 8.32948 numMergedOcc 0
6 mol 46 unq 1 iso 0 dist 7.57749 7.35107 6.03151 5.02642 3.66253 7.43338 numMergedOcc 0
7 mol 46 unq 2 iso 0 dist 8.55202 8.85515 6.03151 12.488 6.28248 8.32948 numMergedOcc 0
8 mol 46 unq 3 iso 0 dist 8.55202 8.85515 6.03151 12.1688 3.66253 7.43338 numMergedOcc 0
9 mol 56 unq 0 iso 0 dist 7.93171 5.16581 5.62688 11.2938 8.68463 9.94735 numMergedOcc 0
10 mol 56 unq 1 iso 0 dist 7.93171 5.16581 5.62688 13.9783 10.5328 9.44388 numMergedOcc 0
11 mol 81 unq 0 iso 0 dist 5.73799 6.32585 7.81965 11.343 9.94655 9.24998 numMergedOcc 0
12 mol 89 unq 0 iso 0 dist 7.55644 4.78712 5.10735 11.5446 8.04878 6.86861 numMergedOcc 0
13 mol 98 unq 0 iso 0 dist 7.34638 11.1108 4.79891 13.7168 6.40382 5.26536 numMergedOcc 0
14 mol 98 unq 1 iso 0 dist 6.0995 9.17639 4.79891 12.1364 6.40382 5.26536 numMergedOcc 0
15 mol 129 unq 0 iso 0 dist 6.53559 8.56696 8.46972 11.3549 9.14454 7.26325 numMergedOcc 0
16 mol 129 unq 1 iso 0 dist 8.09774 9.22336 8.46972 14.0951 9.14454 7.26325 numMergedOcc 0
17 mol 130 unq 0 iso 0 dist 5.82945 5.76927 9.58844 5.74058 6.5713 6.21554 numMergedOcc 0
18 mol 134 unq 0 iso 0 dist 9.13697 12.0027 6.41759 15.9043 7.45747 6.00896 numMergedOcc 0
19 mol 155 unq 0 iso 0 dist 7.25009 11.1511 8.14405 16.39 10.5172 8.3622 numMergedOcc 0
20 mol 171 unq 0 iso 0 dist 6.51523 12.1824 8.09699 11.3235 5.35456 4.59484 numMergedOcc 0
21 mol 184 unq 0 iso 0 dist 8.27396 11.2463 9.07247 15.5561 13.4486 8.49577 numMergedOcc 0
22 mol 193 unq 0 iso 0 dist 7.85801 13.518 8.28942 12.915 7.03555 7.71716 numMergedOcc 0
23 mol 197 unq 0 iso 0 dist 6.90791 5.78569 6.66653 9.35708 3.35829 7.69352 numMergedOcc 0
24 mol 205 unq 0 iso 0 dist 8.69512 7.43264 7.84418 5.47586 10.4922 8.27071 numMergedOcc 0
25 mol 205 unq 1 iso 0 dist 8.69512 12.1402 6.92823 12.1567 6.22981 8.63185 numMergedOcc 0
26 mol 205 unq 2 iso 0 dist 8.69512 12.1402 6.92823 10.6964 4.7106 7.25362 numMergedOcc 0
27 mol 212 unq 0 iso 0 dist 5.03184 9.60101 8.43638 8.09185 7.52135 7.98724 numMergedOcc 0
28 mol 222 unq 0 iso 0 dist 8.86886 6.45821 7.61739 4.87053 6.4817 5.17916 numMergedOcc 0
29 mol 224 unq 0 iso 0 dist 6.32334 4.61429 5.31916 11.4177 5.81697 8.18749 numMergedOcc 0
30 mol 238 unq 0 iso 0 dist 6.96382 5.12308 5.41453 5.83514 4.70535 7.75366 numMergedOcc 0
31 mol 239 unq 0 iso 0 dist 7.96523 4.53635 6.0567 4.53228 7.26668 7.10828 numMergedOcc 0
32 mol 247 unq 0 iso 0 dist 9.01651 8.53302 5.52484 9.21409 3.42642 8.64941 numMergedOcc 0
33 mol 247 unq 1 iso 0 dist 8.83903 9.26852 5.52484 9.17812 3.42642 8.64941 numMergedOcc 0
34 mol 283 unq 0 iso 0 dist 8.4275 7.50871 8.39635 12.2633 7.87842 6.53354 numMergedOcc 0
35 mol 283 unq 1 iso 0 dist 8.4275 7.50871 8.39635 5.90728 5.55396 6.93798 numMergedOcc 0
