0 mol 16 unq 0 iso 0 dist 8.63347 5.38671 6.57331 5.77753 4.68733 7.03948 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 8.63347 5.45161 8.43054 5.77753 4.68733 5.47769 numMergedOcc 0
2 mol 39 unq 0 iso 0 dist 9.35025 9.80217 8.70192 11.7667 6.58458 7.33969 numMergedOcc 0
3 mol 39 unq 1 iso 0 dist 9.35025 9.80217 8.70192 15.0792 10.5834 7.45237 numMergedOcc 0
4 mol 39 unq 2 iso 0 dist 8.66992 7.14422 8.70192 8.28439 6.58458 7.33969 numMergedOcc 0
5 mol 39 unq 3 iso 0 dist 8.66992 7.14422 8.70192 11.1408 10.5834 7.45237 numMergedOcc 0
6 mol 45 unq 0 iso 0 dist 8.81519 5.2876 5.94756 6.94727 4.51883 6.99408 numMergedOcc 0
7 mol 68 unq 0 iso 0 dist 6.37273 7.1369 7.39665 10.008 7.39155 7.96497 numMergedOcc 0
8 mol 72 unq 0 iso 0 dist 9.86502 7.06403 7.66093 13.7102 6.40102 9.02278 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 5.79157 5.72472 8.72682 11.1317 10.1413 7.13087 numMergedOcc 0
10 mol 73 unq 1 iso 0 dist 7.91605 5.72472 5.61588 11.1317 8.97361 7.13087 numMergedOcc 0
11 mol 73 unq 2 iso 0 dist 6.43707 5.72472 7.83244 11.1317 10.2983 7.13087 numMergedOcc 0
12 mol 88 unq 0 iso 0 dist 6.89706 8.44462 7.51139 12.4392 8.40245 9.10189 numMergedOcc 0
13 mol 88 unq 1 iso 0 dist 6.89706 6.07226 7.80898 11.8749 7.15936 8.66514 numMergedOcc 0
14 mol 88 unq 2 iso 0 dist 6.89706 6.07226 7.80898 14.2341 10.8763 9.25235 numMergedOcc 0
15 mol 92 unq 0 iso 0 dist 8.67475 10.7572 8.3773 11.3299 7.94489 5.81965 numMergedOcc 0
16 mol 127 unq 0 iso 0 dist 9.17001 11.1351 7.79505 12.6731 6.15949 6.63981 numMergedOcc 0
17 mol 142 unq 0 iso 0 dist 8.21936 9.20754 7.18002 16.3549 12.2806 7.15475 numMergedOcc 0
18 mol 218 unq 0 iso 0 dist 8.38813 12.0573 7.33709 18.9194 11.6662 8.53199 numMergedOcc 0
19 mol 219 unq 0 iso 0 dist 8.38773 10.0509 4.33238 10.719 3.78261 4.87541 numMergedOcc 0
20 mol 235 unq 0 iso 0 dist 8.31344 15.2767 8.19317 8.60471 4.47008 6.98084 numMergedOcc 0
21 mol 235 unq 1 iso 0 dist 8.31344 11.9322 5.1823 8.60471 4.47008 7.32211 numMergedOcc 0
22 mol 248 unq 0 iso 0 dist 7.90773 4.53213 9.05018 12.7138 13.1523 8.50864 numMergedOcc 0
23 mol 257 unq 0 iso 0 dist 5.81865 5.86413 8.83833 9.46934 10.0311 7.14834 numMergedOcc 0
24 mol 257 unq 1 iso 0 dist 8.25457 13.8679 8.83833 17.6268 10.0311 7.14834 numMergedOcc 0
25 mol 276 unq 0 iso 0 dist 7.11952 9.95911 8.6759 17.9035 13.5196 8.76347 numMergedOcc 0
26 mol 292 unq 0 iso 0 dist 7.02679 13.9754 9.9182 12.2569 8.68456 9.454 numMergedOcc 0
27 mol 292 unq 1 iso 0 dist 9.08889 13.9754 8.9221 12.2569 7.29981 9.454 numMergedOcc 0
