0 mol 33 unq 0 iso 0 dist 8.43688 7.11991 7.73662 12.8061 4.98625 9.68007 numMergedOcc 0
1 mol 69 unq 0 iso 0 dist 7.09393 11.6088 9.13371 3.87167 3.83043 9.43916 numMergedOcc 0
2 mol 69 unq 1 iso 0 dist 3.87167 11.6088 9.43916 7.09393 3.83043 9.13371 numMergedOcc 0
3 mol 130 unq 0 iso 0 dist 7.9663 7.12852 7.06547 13.1193 5.90718 9.88678 numMergedOcc 0
4 mol 130 unq 1 iso 0 dist 6.54338 3.79867 7.06547 11.1212 5.90718 9.88678 numMergedOcc 0
5 mol 130 unq 2 iso 0 dist 8.50054 9.23498 9.88678 7.47653 5.90718 7.06547 numMergedOcc 0
6 mol 130 unq 3 iso 0 dist 7.47653 9.23498 7.06547 8.50054 5.90718 9.88678 numMergedOcc 0
7 mol 148 unq 0 iso 0 dist 9.71692 8.01366 8.3656 15.2976 10.9577 9.93912 numMergedOcc 0
8 mol 178 unq 0 iso 0 dist 6.25455 5.71 9.26238 8.14441 5.82281 9.32853 numMergedOcc 0
9 mol 178 unq 1 iso 0 dist 8.14441 5.71 9.32853 6.25455 5.82281 9.26238 numMergedOcc 0
10 mol 192 unq 0 iso 0 dist 7.30965 12.8803 7.578 20.2546 13.9864 9.24926 numMergedOcc 0
11 mol 206 unq 0 iso 0 dist 8.63033 4.61338 5.83021 8.02214 7.07077 9.18711 numMergedOcc 0
12 mol 206 unq 1 iso 0 dist 8.02214 4.61338 9.18711 8.63033 7.07077 5.83021 numMergedOcc 0
13 mol 220 unq 0 iso 0 dist 7.57712 7.47274 7.27248 7.20255 5.88344 9.50216 numMergedOcc 0
14 mol 220 unq 1 iso 0 dist 7.20255 7.47274 9.50216 7.57712 5.88344 7.27248 numMergedOcc 0
15 mol 223 unq 0 iso 0 dist 6.03408 11.7563 8.85178 13.2171 7.42044 7.8233 numMergedOcc 0
16 mol 223 unq 1 iso 0 dist 6.03408 11.7563 8.85178 10.8794 7.12929 5.50267 numMergedOcc 0
17 mol 223 unq 2 iso 0 dist 7.80764 8.1388 8.85178 11.1639 7.42044 7.8233 numMergedOcc 0
18 mol 223 unq 3 iso 0 dist 7.80764 8.1388 8.85178 5.75896 7.12929 5.50267 numMergedOcc 0
19 mol 223 unq 4 iso 0 dist 5.75896 8.1388 5.50267 7.80764 7.12929 8.85178 numMergedOcc 0
20 mol 223 unq 5 iso 0 dist 5.75896 8.1388 5.50267 11.1639 6.06239 7.8233 numMergedOcc 0
21 mol 239 unq 0 iso 0 dist 8.34832 3.28983 6.64008 10.2234 10.5674 7.69491 numMergedOcc 0
22 mol 244 unq 0 iso 0 dist 6.51428 11.8733 8.42464 11.8474 5.61236 7.89247 numMergedOcc 0
23 mol 257 unq 0 iso 0 dist 8.98346 12.6474 5.81865 18.324 11.0128 8.25457 numMergedOcc 0
24 mol 279 unq 0 iso 0 dist 7.2783 6.83947 9.67649 11.0399 8.52622 8.16952 numMergedOcc 0
25 mol 279 unq 1 iso 0 dist 5.78017 4.91802 8.9352 8.78203 10.71 5.8845 numMergedOcc 0
26 mol 279 unq 2 iso 0 dist 6.12742 9.35656 8.9352 13.8375 10.71 5.8845 numMergedOcc 0
27 mol 279 unq 3 iso 0 dist 8.78203 4.91802 5.8845 5.78017 10.71 8.9352 numMergedOcc 0
28 mol 283 unq 0 iso 0 dist 7.53773 5.60193 9.4181 10.3912 11.6786 5.05882 numMergedOcc 0
