0 mol 11 unq 0 iso 0 dist 6.56599 7.27588 5.25331 5.47299 3.66215 6.83186 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 6.35021 7.16699 4.79838 5.40468 3.56133 6.83186 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 7.24149 3.6629 6.99742 11.5313 10.2239 8.28202 numMergedOcc 0
3 mol 29 unq 0 iso 0 dist 8.69877 9.09595 5.34723 9.03639 5.64409 9.2087 numMergedOcc 0
4 mol 34 unq 0 iso 0 dist 9.53262 10.0741 7.05327 11.558 3.85603 6.38866 numMergedOcc 0
5 mol 34 unq 1 iso 0 dist 6.75771 11.144 9.25424 14.5807 11.418 6.38866 numMergedOcc 0
6 mol 34 unq 2 iso 0 dist 6.75771 8.52974 7.69101 8.73053 3.8237 9.48125 numMergedOcc 0
7 mol 34 unq 3 iso 0 dist 5.90246 9.15844 9.25424 13.881 11.418 6.38866 numMergedOcc 0
8 mol 34 unq 4 iso 0 dist 5.90246 5.27925 7.69101 7.07087 3.8237 9.48125 numMergedOcc 0
9 mol 34 unq 5 iso 0 dist 9.69279 5.27925 9.57665 7.07087 4.97937 9.48125 numMergedOcc 0
10 mol 113 unq 0 iso 0 dist 9.20053 14.5375 5.45882 12.2846 5.09579 4.49669 numMergedOcc 0
11 mol 113 unq 1 iso 0 dist 9.20053 14.5375 5.45882 11.4553 5.46299 5.88896 numMergedOcc 0
12 mol 113 unq 2 iso 0 dist 9.20053 13.2977 4.57487 12.2846 5.09579 6.00221 numMergedOcc 0
13 mol 141 unq 0 iso 0 dist 6.27859 6.1672 6.50336 5.28634 9.08526 4.88514 numMergedOcc 0
14 mol 141 unq 1 iso 0 dist 8.37295 10.3186 9.68074 13.2382 9.53687 5.60448 numMergedOcc 0
15 mol 193 unq 0 iso 0 dist 9.53066 4.8988 6.17074 9.73679 6.11405 8.30069 numMergedOcc 0
16 mol 193 unq 1 iso 0 dist 9.53066 4.8988 6.17074 12.0533 3.90046 8.83551 numMergedOcc 0
17 mol 204 unq 0 iso 0 dist 6.35305 6.42785 4.51124 12.8257 6.68247 8.32259 numMergedOcc 0
18 mol 204 unq 1 iso 0 dist 6.35305 6.42785 4.51124 13.4001 7.51762 9.93489 numMergedOcc 0
19 mol 204 unq 2 iso 0 dist 6.35305 10.9716 8.41517 12.8257 6.68247 8.54737 numMergedOcc 0
20 mol 204 unq 3 iso 0 dist 6.35305 10.9716 8.41517 13.4001 7.51762 7.64057 numMergedOcc 0
21 mol 204 unq 4 iso 0 dist 9.23348 7.66776 4.51124 13.697 6.68247 8.32259 numMergedOcc 0
22 mol 204 unq 5 iso 0 dist 9.23348 7.66776 4.51124 13.8337 7.51762 9.93489 numMergedOcc 0
23 mol 204 unq 6 iso 0 dist 9.23348 8.03926 8.41517 13.697 6.68247 8.54737 numMergedOcc 0
24 mol 204 unq 7 iso 0 dist 9.23348 8.03926 8.41517 13.8337 7.51762 7.64057 numMergedOcc 0
25 mol 213 unq 0 iso 0 dist 9.56792 6.05616 6.8984 15.149 14.229 9.71831 numMergedOcc 0
26 mol 232 unq 0 iso 0 dist 9.94653 14.705 8.49913 18.8486 9.20175 9.64861 numMergedOcc 0
27 mol 232 unq 1 iso 0 dist 7.97572 13.3914 8.49913 17.1116 9.20175 9.64861 numMergedOcc 0
28 mol 260 unq 0 iso 0 dist 5.85173 4.03195 5.30187 9.53846 5.91135 6.48099 numMergedOcc 0
29 mol 266 unq 0 iso 0 dist 9.85022 4.39553 9.6721 9.90506 16.2268 6.96692 numMergedOcc 0
30 mol 266 unq 1 iso 0 dist 9.85022 4.39553 9.6721 8.61077 16.7453 8.25286 numMergedOcc 0
31 mol 266 unq 2 iso 0 dist 9.85022 4.39553 9.6721 9.11585 17.4207 9.9965 numMergedOcc 0
