0 mol 34 unq 0 iso 0 dist 7.61802 7.32472 12.7313 9.79566 7.01952 16.8828 numMergedOcc 0
1 mol 34 unq 1 iso 0 dist 7.61802 7.32472 12.7313 8.89606 4.58552 15.2804 numMergedOcc 0
2 mol 59 unq 0 iso 0 dist 5.82829 4.74574 7.21298 4.80894 8.66724 6.23509 numMergedOcc 0
3 mol 76 unq 0 iso 0 dist 5.65006 5.61831 3.35924 10.0759 9.08825 12.0937 numMergedOcc 0
4 mol 79 unq 0 iso 0 dist 7.56 6.29801 3.07021 6.06978 8.51259 9.21761 numMergedOcc 0
5 mol 107 unq 0 iso 0 dist 8.2411 4.99934 5.88785 4.11617 6.11492 6.49371 numMergedOcc 0
6 mol 135 unq 0 iso 0 dist 8.55869 5.60595 4.98191 12.5648 9.79585 9.71732 numMergedOcc 0
7 mol 168 unq 0 iso 0 dist 5.69346 8.47439 6.65321 5.5458 8.32353 11.9693 numMergedOcc 0
8 mol 198 unq 0 iso 0 dist 8.18482 9.55667 3.70259 11.3881 9.91727 7.04521 numMergedOcc 0
9 mol 225 unq 0 iso 0 dist 4.58113 6.15671 5.31124 7.03597 6.46405 11.3832 numMergedOcc 0
10 mol 225 unq 1 iso 0 dist 9.48525 7.22151 12.315 12.5148 9.3502 18.561 numMergedOcc 0
11 mol 225 unq 2 iso 0 dist 9.48525 7.22151 12.315 8.62768 9.34821 11.2467 numMergedOcc 0
12 mol 225 unq 3 iso 0 dist 9.48525 7.22151 12.315 4.57447 6.46405 10.6109 numMergedOcc 0
13 mol 243 unq 0 iso 0 dist 7.42359 8.35328 7.66826 5.69077 8.30024 11.0685 numMergedOcc 0
14 mol 243 unq 1 iso 0 dist 7.42359 8.35328 7.66826 9.70906 8.20943 14.5062 numMergedOcc 0
15 mol 277 unq 0 iso 0 dist 8.20902 7.34927 10.5214 14.6762 7.16209 13.9096 numMergedOcc 0
16 mol 277 unq 1 iso 0 dist 8.20902 7.34927 10.5214 11.68 4.62936 11.5963 numMergedOcc 0
17 mol 292 unq 0 iso 0 dist 8.51266 7.61675 12.6536 6.03672 7.89938 13.5571 numMergedOcc 0
