0 mol 24 unq 0 iso 0 dist 7.18124 6.47026 6.0925 3.4435 7.85986 4.30252 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.47026 7.18124 6.0925 9.4199 7.03544 12.1223 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 6.47026 7.18124 6.0925 3.4435 4.30252 7.85986 numMergedOcc 0
3 mol 28 unq 0 iso 0 dist 8.90935 8.96154 3.70336 3.69138 8.69709 10.1459 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 9.43843 7.67463 16.5258 4.58085 6.46549 10.3185 numMergedOcc 0
5 mol 113 unq 0 iso 0 dist 8.46167 6.13175 5.7147 8.69658 7.40338 10.4064 numMergedOcc 0
6 mol 113 unq 1 iso 0 dist 8.46167 6.13175 5.7147 11.1416 6.23759 11.148 numMergedOcc 0
7 mol 113 unq 2 iso 0 dist 8.46167 4.34107 8.09465 8.69658 7.40338 11.5441 numMergedOcc 0
8 mol 113 unq 3 iso 0 dist 8.46167 4.34107 8.09465 11.1416 6.23759 12.8832 numMergedOcc 0
9 mol 123 unq 0 iso 0 dist 8.20345 5.38148 8.77423 5.25923 9.42762 7.30244 numMergedOcc 0
10 mol 123 unq 1 iso 0 dist 5.38148 8.20345 8.77423 5.25923 7.30244 9.42762 numMergedOcc 0
11 mol 135 unq 0 iso 0 dist 7.74087 8.53533 9.60019 11.7342 7.02963 12.1259 numMergedOcc 0
12 mol 141 unq 0 iso 0 dist 4.70342 8.23543 10.7858 6.30849 6.90583 6.75593 numMergedOcc 0
13 mol 141 unq 1 iso 0 dist 8.23543 4.70342 10.7858 6.30849 6.75593 6.90583 numMergedOcc 0
14 mol 169 unq 0 iso 0 dist 9.39809 8.38775 5.23644 8.16591 7.85698 10.573 numMergedOcc 0
15 mol 169 unq 1 iso 0 dist 9.39809 8.38775 5.23644 10.2799 6.35799 10.8214 numMergedOcc 0
16 mol 184 unq 0 iso 0 dist 5.62851 8.04472 9.91264 8.11291 7.02762 15.5228 numMergedOcc 0
17 mol 205 unq 0 iso 0 dist 9.66947 5.69652 10.1158 6.29383 6.81516 9.17562 numMergedOcc 0
18 mol 205 unq 1 iso 0 dist 5.69652 9.66947 10.1158 8.16279 5.59832 15.0916 numMergedOcc 0
19 mol 205 unq 2 iso 0 dist 5.69652 9.66947 10.1158 6.29383 9.17562 6.81516 numMergedOcc 0
20 mol 230 unq 0 iso 0 dist 9.28671 8.46558 13.2396 13.7681 8.91416 19.3146 numMergedOcc 0
21 mol 230 unq 1 iso 0 dist 9.28671 9.96417 5.64621 13.7681 8.91416 14.3399 numMergedOcc 0
22 mol 254 unq 0 iso 0 dist 6.34051 8.07881 4.69077 12.3017 9.50951 13.8349 numMergedOcc 0
23 mol 254 unq 1 iso 0 dist 6.34051 5.44351 3.15539 12.3017 9.50951 11.5842 numMergedOcc 0
24 mol 258 unq 0 iso 0 dist 5.3772 7.59138 8.91869 3.63667 8.31526 7.08328 numMergedOcc 0
25 mol 258 unq 1 iso 0 dist 7.59138 5.3772 8.91869 3.63667 7.08328 8.31526 numMergedOcc 0
