0 mol 16 unq 0 iso 0 dist 7.46752 9.47421 5.94084 10.3638 9.79958 5.77753 12.558 12.5273 7.03948 5.38671 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 7.46752 9.47421 5.94084 10.3638 9.79958 5.77753 5.66097 7.63133 5.47769 5.45161 numMergedOcc 0
2 mol 16 unq 2 iso 0 dist 7.46752 9.47421 5.94084 10.3638 9.79958 5.77753 6.06561 5.46498 6.58035 6.43294 numMergedOcc 0
3 mol 19 unq 0 iso 0 dist 8.18518 5.36258 6.55187 6.1852 13.8602 9.04865 6.57145 4.54938 8.23643 12.4435 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 8.18518 5.36258 6.55187 6.1852 13.8602 9.04865 6.01189 7.82074 8.73972 9.84922 numMergedOcc 0
5 mol 59 unq 0 iso 0 dist 9.05547 8.10708 14.134 12.9966 19.4465 5.45575 7.43198 16.1832 6.23899 8.14829 numMergedOcc 0
6 mol 102 unq 0 iso 0 dist 7.48277 6.793 4.32286 5.51997 9.43411 9.50209 7.49575 12.0341 9.94856 5.54551 numMergedOcc 0
7 mol 102 unq 1 iso 0 dist 9.0361 6.793 5.498 5.51997 9.80678 9.50209 7.49575 7.36792 9.94856 5.54551 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 6.09472 8.81198 5.60178 9.42841 8.81562 5.60716 12.0855 11.8322 6.87861 5.56084 numMergedOcc 0
9 mol 115 unq 1 iso 0 dist 6.09472 8.81198 5.60178 9.42841 8.81562 5.60716 5.74878 4.99221 6.50039 5.71451 numMergedOcc 0
10 mol 115 unq 2 iso 0 dist 6.09472 8.81198 5.60178 5.14617 6.86946 5.52706 12.0855 11.8322 6.87861 6.98664 numMergedOcc 0
11 mol 115 unq 3 iso 0 dist 6.09472 8.81198 5.60178 5.14617 6.86946 5.52706 5.74878 4.99221 6.50039 5.889 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 8.96061 6.61636 12.8483 8.08082 14.1445 8.25207 14.1314 20.1365 7.92688 14.4683 numMergedOcc 0
13 mol 155 unq 0 iso 0 dist 6.53758 8.54318 5.77564 5.2941 7.02715 5.64806 10.0656 11.6934 7.16254 6.68061 numMergedOcc 0
14 mol 155 unq 1 iso 0 dist 6.53758 8.54318 5.77564 5.2941 7.02715 5.64806 12.7034 13.4817 9.14392 11.0287 numMergedOcc 0
15 mol 173 unq 0 iso 0 dist 8.70197 7.33162 13.5291 15.6753 21.459 9.25763 7.92818 15.6765 7.93331 15.2665 numMergedOcc 0
16 mol 173 unq 1 iso 0 dist 8.70197 7.33162 13.5291 15.6753 21.459 9.25763 8.40346 16.9856 6.98095 12.006 numMergedOcc 0
17 mol 173 unq 2 iso 0 dist 8.70197 7.33162 13.5291 15.6753 21.459 9.25763 11.3291 17.7194 8.31897 14.7376 numMergedOcc 0
18 mol 173 unq 3 iso 0 dist 8.70197 7.33162 13.5291 16.6412 22.9204 9.63102 7.92818 15.6765 7.93331 14.1226 numMergedOcc 0
19 mol 173 unq 4 iso 0 dist 8.70197 7.33162 13.5291 16.6412 22.9204 9.63102 8.40346 16.9856 6.98095 11.6705 numMergedOcc 0
20 mol 173 unq 5 iso 0 dist 8.70197 7.33162 13.5291 16.6412 22.9204 9.63102 11.3291 17.7194 8.31897 12.3698 numMergedOcc 0
21 mol 222 unq 0 iso 0 dist 7.27481 7.46845 7.61682 4.56782 8.7347 5.04916 5.90074 7.54212 7.18956 4.28891 numMergedOcc 0
22 mol 228 unq 0 iso 0 dist 9.4597 8.10816 5.37846 6.74578 11.1859 9.58356 5.85714 12.0155 8.06181 6.29965 numMergedOcc 0
23 mol 228 unq 1 iso 0 dist 9.4597 8.10816 5.37846 6.74578 11.1859 9.58356 10.5025 13.6274 8.38048 10.5936 numMergedOcc 0
24 mol 228 unq 2 iso 0 dist 9.4597 8.10816 5.37846 6.74578 11.1859 9.58356 14.2891 12.3795 7.65132 14.6816 numMergedOcc 0
25 mol 228 unq 3 iso 0 dist 9.4597 8.10816 5.37846 6.74578 11.1859 9.58356 10.0386 12.2899 8.53764 6.01863 numMergedOcc 0
26 mol 228 unq 4 iso 0 dist 9.29603 7.95486 5.03713 6.68691 11.0094 9.29522 5.79543 11.6303 7.77367 6.30523 numMergedOcc 0
27 mol 228 unq 5 iso 0 dist 9.29603 7.95486 5.03713 6.68691 11.0094 9.29522 10.4968 13.1857 8.20909 10.5683 numMergedOcc 0
28 mol 228 unq 6 iso 0 dist 9.29603 7.95486 5.03713 6.68691 11.0094 9.29522 14.5051 12.1713 7.94506 14.9669 numMergedOcc 0
29 mol 228 unq 7 iso 0 dist 9.29603 7.95486 5.03713 6.68691 11.0094 9.29522 10.0847 11.9104 8.15494 6.21036 numMergedOcc 0
30 mol 293 unq 0 iso 0 dist 8.78835 7.2668 7.0683 8.09709 13.8491 7.59622 5.67215 13.3844 9.97212 6.85131 numMergedOcc 0
