0 mol 22 unq 0 iso 0 dist 9.00263 8.05386 4.17649 6.00963 10.0195 6.59771 numMergedOcc 0
1 mol 22 unq 1 iso 0 dist 9.00263 8.05386 4.17649 7.13897 12.5122 9.71427 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 9.26742 8.69224 8.97662 4.97972 8.73572 7.72372 numMergedOcc 0
3 mol 29 unq 0 iso 0 dist 9.42943 8.00338 11.4567 4.80937 13.2565 6.80828 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 8.11977 6.45955 5.03002 4.86856 6.98862 8.08224 numMergedOcc 0
5 mol 120 unq 0 iso 0 dist 9.66306 6.84006 7.47617 4.30031 9.18835 7.06763 numMergedOcc 0
6 mol 120 unq 1 iso 0 dist 8.84182 9.08322 7.47617 9.03773 9.18835 7.06763 numMergedOcc 0
7 mol 152 unq 0 iso 0 dist 8.41938 9.3776 6.37913 6.27142 12.0249 9.07315 numMergedOcc 0
8 mol 152 unq 1 iso 0 dist 6.53428 7.71959 4.19899 6.30491 5.59682 6.68265 numMergedOcc 0
9 mol 152 unq 2 iso 0 dist 6.53428 7.71959 4.19899 4.48776 7.71277 7.78842 numMergedOcc 0
10 mol 176 unq 0 iso 0 dist 9.74021 5.23992 8.5262 7.86601 13.0224 8.79752 numMergedOcc 0
11 mol 176 unq 1 iso 0 dist 9.74021 9.1617 9.81633 7.86601 13.0224 7.58281 numMergedOcc 0
12 mol 185 unq 0 iso 0 dist 7.7352 9.62449 6.6815 4.97475 10.5835 9.61525 numMergedOcc 0
13 mol 186 unq 0 iso 0 dist 5.17005 7.82717 4.25519 8.15466 8.39345 6.97766 numMergedOcc 0
14 mol 186 unq 1 iso 0 dist 5.17005 8.19926 6.35206 8.15466 8.39345 4.79423 numMergedOcc 0
15 mol 186 unq 2 iso 0 dist 5.17005 9.02402 10.6883 10.5408 14.949 8.0943 numMergedOcc 0
16 mol 206 unq 0 iso 0 dist 7.03594 9.54448 4.22218 4.7722 4.51269 5.73198 numMergedOcc 0
17 mol 249 unq 0 iso 0 dist 7.34573 5.3865 10.5184 5.7486 11.7754 6.62413 numMergedOcc 0
18 mol 252 unq 0 iso 0 dist 9.19372 4.15692 8.56684 10.2256 15.2079 9.09279 numMergedOcc 0
19 mol 284 unq 0 iso 0 dist 9.5276 5.06373 4.93279 10.1082 11.0108 8.2236 numMergedOcc 0
20 mol 285 unq 0 iso 0 dist 9.5953 9.84651 11.4213 6.56958 11.9766 6.07843 numMergedOcc 0
21 mol 285 unq 1 iso 0 dist 8.64527 9.84651 10.0892 6.56958 8.63954 6.07843 numMergedOcc 0
22 mol 285 unq 2 iso 0 dist 9.0062 8.88717 3.97296 5.29647 4.74716 6.07843 numMergedOcc 0
23 mol 285 unq 3 iso 0 dist 8.72607 9.84651 3.97296 6.56958 4.74716 6.07843 numMergedOcc 0
