0 mol 27 unq 0 iso 0 dist 9.75252 5.27118 5.52651 5.33296 9.93104 8.05628 numMergedOcc 0
1 mol 27 unq 1 iso 0 dist 5.27118 9.75252 5.52651 5.33296 8.05628 9.93104 numMergedOcc 0
2 mol 33 unq 0 iso 0 dist 9.06004 9.34266 4.43305 11.1421 8.28474 11.5516 numMergedOcc 0
3 mol 34 unq 0 iso 0 dist 8.6127 9.25005 4.74094 11.7912 4.98509 8.91193 numMergedOcc 0
4 mol 34 unq 1 iso 0 dist 8.6127 9.25005 4.74094 17.9161 9.76633 13.0035 numMergedOcc 0
5 mol 34 unq 2 iso 0 dist 9.25005 8.6127 4.74094 11.7912 8.91193 4.98509 numMergedOcc 0
6 mol 46 unq 0 iso 0 dist 9.942 5.92771 14.4922 14.9992 8.06964 20.1571 numMergedOcc 0
7 mol 46 unq 1 iso 0 dist 9.942 5.92771 14.4922 9.89704 5.2568 15.5545 numMergedOcc 0
8 mol 55 unq 0 iso 0 dist 8.77395 6.91288 5.43051 9.62261 9.07741 8.0388 numMergedOcc 0
9 mol 55 unq 1 iso 0 dist 8.77395 8.60087 4.78168 9.62261 9.07741 9.7883 numMergedOcc 0
10 mol 55 unq 2 iso 0 dist 6.91288 8.77395 5.43051 9.62261 8.0388 9.07741 numMergedOcc 0
11 mol 55 unq 3 iso 0 dist 6.91288 8.60087 8.93213 9.62261 8.0388 9.7883 numMergedOcc 0
12 mol 55 unq 4 iso 0 dist 8.60087 8.77395 4.78168 9.62261 9.7883 9.07741 numMergedOcc 0
13 mol 55 unq 5 iso 0 dist 8.60087 6.91288 8.93213 9.62261 9.7883 8.0388 numMergedOcc 0
14 mol 83 unq 0 iso 0 dist 6.72584 7.25594 5.72008 11.9679 9.55089 7.22942 numMergedOcc 0
15 mol 83 unq 1 iso 0 dist 7.25594 6.72584 5.72008 4.21416 7.88522 9.78734 numMergedOcc 0
16 mol 83 unq 2 iso 0 dist 7.25594 6.72584 5.72008 11.9679 7.22942 9.55089 numMergedOcc 0
17 mol 153 unq 0 iso 0 dist 5.17415 8.379 5.1218 6.75709 8.16336 11.7732 numMergedOcc 0
18 mol 165 unq 0 iso 0 dist 6.72652 6.4503 4.90692 6.58447 5.03758 4.63353 numMergedOcc 0
19 mol 165 unq 1 iso 0 dist 6.4503 6.72652 4.90692 6.58447 4.63353 5.03758 numMergedOcc 0
20 mol 168 unq 0 iso 0 dist 6.24232 6.13116 5.29906 8.27929 7.93917 10.4028 numMergedOcc 0
21 mol 168 unq 1 iso 0 dist 8.1953 8.16253 5.29906 9.98174 7.93917 10.4028 numMergedOcc 0
22 mol 184 unq 0 iso 0 dist 8.20517 9.35481 14.6266 16.3549 8.98606 20.1553 numMergedOcc 0
23 mol 184 unq 1 iso 0 dist 8.20517 9.11936 8.05894 16.3549 8.98606 10.5052 numMergedOcc 0
24 mol 184 unq 2 iso 0 dist 9.15923 7.79098 8.04915 3.95306 8.98606 8.7823 numMergedOcc 0
25 mol 184 unq 3 iso 0 dist 6.03505 6.30144 8.04915 9.14602 8.98606 8.7823 numMergedOcc 0
26 mol 254 unq 0 iso 0 dist 8.4346 7.97728 2.67738 4.48859 9.70628 7.98511 numMergedOcc 0
27 mol 254 unq 1 iso 0 dist 7.97728 8.4346 2.67738 4.48859 7.98511 9.70628 numMergedOcc 0
28 mol 257 unq 0 iso 0 dist 6.19418 9.81401 5.38367 10.1886 9.62817 14.8847 numMergedOcc 0
29 mol 265 unq 0 iso 0 dist 7.71301 9.19805 5.7556 12.4974 6.80043 11.8276 numMergedOcc 0
30 mol 266 unq 0 iso 0 dist 7.48115 9.02396 3.00605 5.93859 7.66814 9.72896 numMergedOcc 0
