0 mol 34 unq 0 iso 0 dist 7.38663 6.72594 8.39751 4.29643 10.2793 5.40582 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 5.44077 9.76585 8.43173 10.0424 12.7268 9.21978 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 5.44077 9.76585 8.43173 12.7554 10.2065 8.03754 numMergedOcc 0
3 mol 61 unq 0 iso 0 dist 6.71467 8.6338 7.92278 6.16737 10.755 8.44473 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 7.25561 9.33989 6.6711 11.9403 11.272 7.46657 numMergedOcc 0
5 mol 76 unq 1 iso 0 dist 8.97499 8.57953 6.6711 9.03147 11.272 7.46657 numMergedOcc 0
6 mol 133 unq 0 iso 0 dist 7.67877 9.48694 8.10796 16.0605 16.1714 9.19659 numMergedOcc 0
7 mol 133 unq 1 iso 0 dist 5.01269 9.48694 5.55073 16.0605 14.0418 9.19659 numMergedOcc 0
8 mol 133 unq 2 iso 0 dist 8.61448 5.84909 8.13581 5.36939 10.5219 9.1146 numMergedOcc 0
9 mol 147 unq 0 iso 0 dist 9.21476 5.47265 9.82809 6.91778 13.1465 9.88662 numMergedOcc 0
10 mol 154 unq 0 iso 0 dist 7.63904 8.65008 6.12711 5.5065 9.04554 6.36439 numMergedOcc 0
11 mol 155 unq 0 iso 0 dist 5.16143 8.02356 5.55092 5.01007 8.66709 8.57712 numMergedOcc 0
12 mol 163 unq 0 iso 0 dist 8.66172 9.24754 13.6047 4.12904 10.4941 8.32426 numMergedOcc 0
13 mol 163 unq 1 iso 0 dist 6.89529 9.24754 8.08989 4.12904 6.56115 8.32426 numMergedOcc 0
14 mol 167 unq 0 iso 0 dist 9.65404 8.39087 4.49322 6.32863 7.83781 9.23645 numMergedOcc 0
15 mol 185 unq 0 iso 0 dist 8.2968 5.7065 7.94486 12.0971 15.5013 8.8978 numMergedOcc 0
16 mol 185 unq 1 iso 0 dist 8.2968 5.7065 7.94486 4.53126 11.0376 5.03193 numMergedOcc 0
17 mol 205 unq 0 iso 0 dist 7.84215 9.44038 4.39855 13.5482 10.4618 7.51951 numMergedOcc 0
18 mol 210 unq 0 iso 0 dist 5.33103 5.70065 9.12311 3.84723 6.53736 6.13878 numMergedOcc 0
19 mol 210 unq 1 iso 0 dist 9.01301 5.70065 7.75472 3.84723 8.18851 6.13878 numMergedOcc 0
20 mol 236 unq 0 iso 0 dist 8.20542 9.51001 13.8826 16.4752 16.6071 9.44496 numMergedOcc 0
21 mol 236 unq 1 iso 0 dist 8.20542 9.51001 13.8826 4.15973 6.36941 7.87233 numMergedOcc 0
22 mol 236 unq 2 iso 0 dist 9.26313 6.94194 10.483 4.71394 13.3275 6.43046 numMergedOcc 0
23 mol 271 unq 0 iso 0 dist 7.29764 6.96986 5.25426 8.72109 12.5875 9.42899 numMergedOcc 0
24 mol 274 unq 0 iso 0 dist 6.28023 7.8547 6.75848 4.4049 9.81087 8.41236 numMergedOcc 0
