0 mol 7 unq 0 iso 0 dist 9.14481 5.78919 5.03847 9.9698 8.41585 10.3148 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.14481 8.04923 12.0193 9.9698 8.41585 5.99972 numMergedOcc 0
2 mol 59 unq 0 iso 0 dist 5.59153 9.85934 6.02587 7.95615 8.95999 13.5202 numMergedOcc 0
3 mol 59 unq 1 iso 0 dist 8.3906 9.85934 9.52595 10.4426 6.85766 15.7563 numMergedOcc 0
4 mol 59 unq 2 iso 0 dist 8.3906 9.85934 9.52595 7.8601 7.71095 12.4441 numMergedOcc 0
5 mol 59 unq 3 iso 0 dist 7.41568 9.85934 4.67603 7.8601 8.25513 12.4441 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 7.11094 6.56503 4.4057 6.59988 5.08437 6.65501 numMergedOcc 0
7 mol 98 unq 1 iso 0 dist 7.91249 9.92781 7.06961 5.04286 5.08437 6.7117 numMergedOcc 0
8 mol 98 unq 2 iso 0 dist 7.91249 9.92781 7.06961 13.8365 6.48948 9.42961 numMergedOcc 0
9 mol 98 unq 3 iso 0 dist 7.91249 9.92781 7.06961 10.4243 6.10456 4.47349 numMergedOcc 0
10 mol 98 unq 4 iso 0 dist 7.21175 6.56503 7.42446 6.59988 6.48948 6.65501 numMergedOcc 0
11 mol 98 unq 5 iso 0 dist 7.94919 6.56349 7.06961 10.5282 5.08437 6.7117 numMergedOcc 0
12 mol 98 unq 6 iso 0 dist 7.94919 6.56349 7.06961 5.5392 6.48948 9.42961 numMergedOcc 0
13 mol 98 unq 7 iso 0 dist 7.94919 6.56349 7.06961 6.5508 6.10456 4.47349 numMergedOcc 0
14 mol 113 unq 0 iso 0 dist 6.70974 8.26447 10.1816 7.84178 5.86073 8.8822 numMergedOcc 0
15 mol 113 unq 1 iso 0 dist 6.70974 6.71684 8.42718 7.84178 5.86073 9.66219 numMergedOcc 0
16 mol 120 unq 0 iso 0 dist 6.68587 8.13828 8.2619 7.18082 8.75408 11.9051 numMergedOcc 0
17 mol 120 unq 1 iso 0 dist 6.68587 8.13828 8.2619 8.16257 6.44653 13.082 numMergedOcc 0
18 mol 133 unq 0 iso 0 dist 5.47457 6.20073 5.81428 9.36947 8.22656 13.5737 numMergedOcc 0
19 mol 133 unq 1 iso 0 dist 5.47457 6.20073 5.81428 6.64892 6.82262 10.9779 numMergedOcc 0
20 mol 169 unq 0 iso 0 dist 6.67261 8.46537 10.3792 11.0609 8.49164 13.9834 numMergedOcc 0
21 mol 169 unq 1 iso 0 dist 6.67261 7.05602 8.6888 11.0609 8.49164 14.7367 numMergedOcc 0
22 mol 175 unq 0 iso 0 dist 9.88039 6.95556 8.29015 12.7327 9.0018 10.4182 numMergedOcc 0
23 mol 175 unq 1 iso 0 dist 9.88039 6.95556 8.29015 12.0917 5.6234 11.6765 numMergedOcc 0
24 mol 175 unq 2 iso 0 dist 9.88039 6.95556 8.29015 7.46731 6.57069 9.77896 numMergedOcc 0
25 mol 224 unq 0 iso 0 dist 8.26029 9.96809 11.5752 12.3287 5.78342 14.5387 numMergedOcc 0
26 mol 224 unq 1 iso 0 dist 8.26029 9.96809 11.5752 13.3966 9.16166 13.4196 numMergedOcc 0
27 mol 224 unq 2 iso 0 dist 8.26029 9.96809 11.5752 7.84931 5.81334 12.8311 numMergedOcc 0
28 mol 248 unq 0 iso 0 dist 8.32148 8.33005 4.30004 6.55266 9.56569 7.16525 numMergedOcc 0
29 mol 264 unq 0 iso 0 dist 7.62761 8.56593 5.00209 8.12266 6.24356 7.16853 numMergedOcc 0
30 mol 273 unq 0 iso 0 dist 9.54195 8.14068 10.8141 6.22293 6.92774 11.6152 numMergedOcc 0
31 mol 273 unq 1 iso 0 dist 6.35853 8.14068 4.60101 6.22293 9.01049 11.6152 numMergedOcc 0
32 mol 273 unq 2 iso 0 dist 7.67515 8.14068 12.2502 6.22293 9.2983 11.6152 numMergedOcc 0
