0 mol 27 unq 0 iso 0 dist 6.68662 5.80623 5.92112 8.21453 10.754 7.18409 numMergedOcc 0
1 mol 27 unq 1 iso 0 dist 6.68662 5.80623 5.92112 6.8422 11.2063 6.21163 numMergedOcc 0
2 mol 27 unq 2 iso 0 dist 9.11084 7.24775 5.92112 14.1996 10.754 7.18409 numMergedOcc 0
3 mol 27 unq 3 iso 0 dist 9.11084 7.24775 5.92112 10.2292 11.2063 6.21163 numMergedOcc 0
4 mol 71 unq 0 iso 0 dist 6.01135 5.70431 4.07844 10.9987 7.79718 9.03987 numMergedOcc 0
5 mol 71 unq 1 iso 0 dist 6.01135 5.70431 4.07844 5.14057 7.30552 8.63476 numMergedOcc 0
6 mol 83 unq 0 iso 0 dist 8.57448 9.42195 6.54198 8.63955 12.9488 9.50228 numMergedOcc 0
7 mol 100 unq 0 iso 0 dist 9.74416 6.6157 4.50298 8.46662 9.21675 9.95103 numMergedOcc 0
8 mol 100 unq 1 iso 0 dist 9.64454 7.37771 4.50298 10.5049 9.21675 9.95103 numMergedOcc 0
9 mol 120 unq 0 iso 0 dist 5.71964 8.41086 6.93115 6.56678 9.35573 9.37051 numMergedOcc 0
10 mol 120 unq 1 iso 0 dist 6.82156 8.41086 10.3855 6.56678 11.9315 9.37051 numMergedOcc 0
11 mol 167 unq 0 iso 0 dist 9.08844 7.93807 9.40319 10.8805 15.9543 9.69399 numMergedOcc 0
12 mol 184 unq 0 iso 0 dist 7.79858 5.92785 9.96392 9.14602 14.8416 5.0207 numMergedOcc 0
13 mol 184 unq 1 iso 0 dist 7.19946 5.92785 5.65874 9.14602 10.5586 5.0207 numMergedOcc 0
14 mol 192 unq 0 iso 0 dist 6.08455 7.35424 6.91699 8.0557 10.7624 9.99783 numMergedOcc 0
15 mol 196 unq 0 iso 0 dist 8.94535 6.67699 3.68546 10.6599 13.0437 9.47404 numMergedOcc 0
16 mol 227 unq 0 iso 0 dist 9.92621 5.87056 5.78036 9.22288 13.1297 8.61546 numMergedOcc 0
17 mol 227 unq 1 iso 0 dist 9.92621 8.85568 16.4453 9.22288 13.1297 7.17024 numMergedOcc 0
18 mol 260 unq 0 iso 0 dist 8.67447 6.8795 10.9471 5.75427 7.76322 9.56846 numMergedOcc 0
