0 mol 10 unq 0 iso 0 dist 7.93277 8.88888 14.0762 12.2644 7.14537 17.2683 numMergedOcc 0
1 mol 39 unq 0 iso 0 dist 7.92518 8.61287 5.16998 5.88717 5.27182 9.30877 numMergedOcc 0
2 mol 56 unq 0 iso 0 dist 9.23105 6.14494 3.83454 3.54989 7.53964 5.76961 numMergedOcc 0
3 mol 56 unq 1 iso 0 dist 6.14494 9.23105 3.83454 3.54989 5.76961 7.53964 numMergedOcc 0
4 mol 56 unq 2 iso 0 dist 6.14494 9.23105 3.83454 4.67834 9.47401 12.6801 numMergedOcc 0
5 mol 66 unq 0 iso 0 dist 8.65033 7.8807 3.70876 3.7783 9.6145 8.32859 numMergedOcc 0
6 mol 66 unq 1 iso 0 dist 7.8807 8.65033 3.70876 3.7783 8.32859 9.6145 numMergedOcc 0
7 mol 79 unq 0 iso 0 dist 8.26763 7.82966 7.00818 4.0291 8.64934 10.9778 numMergedOcc 0
8 mol 79 unq 1 iso 0 dist 8.26763 6.30814 6.48468 4.0291 8.64934 8.7515 numMergedOcc 0
9 mol 79 unq 2 iso 0 dist 8.26763 7.318 13.1821 4.0291 8.64934 11.1337 numMergedOcc 0
10 mol 79 unq 3 iso 0 dist 6.30814 7.82966 5.16215 4.0291 8.7515 10.9778 numMergedOcc 0
11 mol 79 unq 4 iso 0 dist 6.30814 8.26763 6.48468 4.0291 8.7515 8.64934 numMergedOcc 0
12 mol 79 unq 5 iso 0 dist 6.30814 7.318 9.61175 4.0291 8.7515 11.1337 numMergedOcc 0
13 mol 79 unq 6 iso 0 dist 7.318 7.82966 8.14284 5.71097 8.51259 12.4485 numMergedOcc 0
14 mol 79 unq 7 iso 0 dist 7.318 8.26763 13.1821 5.71097 8.51259 13.629 numMergedOcc 0
15 mol 79 unq 8 iso 0 dist 7.318 6.30814 9.61175 5.71097 8.51259 10.0103 numMergedOcc 0
16 mol 134 unq 0 iso 0 dist 4.73115 8.73668 6.05407 6.98491 5.78982 11.4619 numMergedOcc 0
17 mol 157 unq 0 iso 0 dist 6.07906 8.72717 5.28985 5.43167 8.40821 9.86925 numMergedOcc 0
18 mol 157 unq 1 iso 0 dist 8.72717 6.07906 5.28985 5.43167 9.86925 8.40821 numMergedOcc 0
19 mol 158 unq 0 iso 0 dist 9.1854 7.68074 10.0033 5.47558 9.10671 11.4226 numMergedOcc 0
20 mol 195 unq 0 iso 0 dist 9.20541 6.65077 10.558 14.0091 8.22795 17.8773 numMergedOcc 0
21 mol 195 unq 1 iso 0 dist 6.65077 9.20541 10.558 6.04748 6.396 14.0891 numMergedOcc 0
22 mol 217 unq 0 iso 0 dist 8.99484 7.00456 6.12994 4.76575 9.37602 10.3247 numMergedOcc 0
23 mol 217 unq 1 iso 0 dist 8.99484 7.00456 6.12994 11.715 8.26522 12.9082 numMergedOcc 0
24 mol 222 unq 0 iso 0 dist 7.99441 6.71817 3.58181 6.4817 8.14294 5.72 numMergedOcc 0
25 mol 222 unq 1 iso 0 dist 7.99441 8.41524 8.23638 6.4817 8.14294 6.84052 numMergedOcc 0
26 mol 222 unq 2 iso 0 dist 6.71817 7.99441 3.58181 6.4817 5.72 8.14294 numMergedOcc 0
27 mol 222 unq 3 iso 0 dist 6.71817 8.41524 4.79329 6.4817 5.72 6.84052 numMergedOcc 0
28 mol 222 unq 4 iso 0 dist 8.41524 7.99441 8.23638 6.4817 6.84052 8.14294 numMergedOcc 0
29 mol 222 unq 5 iso 0 dist 8.41524 7.99441 8.23638 8.05936 9.58086 13.4455 numMergedOcc 0
30 mol 222 unq 6 iso 0 dist 8.41524 6.71817 4.79329 6.4817 6.84052 5.72 numMergedOcc 0
31 mol 222 unq 7 iso 0 dist 8.41524 6.71817 4.79329 8.05936 9.58086 10.6631 numMergedOcc 0
32 mol 227 unq 0 iso 0 dist 9.34023 5.77762 5.30101 5.92282 8.85955 6.09335 numMergedOcc 0
33 mol 227 unq 1 iso 0 dist 5.77762 9.34023 5.30101 5.92282 6.09335 8.85955 numMergedOcc 0
34 mol 292 unq 0 iso 0 dist 8.67283 9.63325 5.26492 5.90311 7.89938 10.186 numMergedOcc 0
