0 mol 16 unq 0 iso 0 dist 7.46752 9.47421 5.94084 12.558 12.5273 7.03948 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 7.46752 9.47421 5.94084 5.66097 7.63133 5.47769 numMergedOcc 0
2 mol 16 unq 2 iso 0 dist 7.46752 9.47421 5.94084 6.06561 5.46498 6.58035 numMergedOcc 0
3 mol 19 unq 0 iso 0 dist 8.18518 5.36258 6.55187 6.57145 4.54938 8.23643 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 8.18518 5.36258 6.55187 6.01189 7.82074 8.73972 numMergedOcc 0
5 mol 59 unq 0 iso 0 dist 9.05547 8.10708 14.134 7.43198 16.1832 6.23899 numMergedOcc 0
6 mol 68 unq 0 iso 0 dist 9.7754 8.18002 13.6262 13.0823 20.0174 7.96497 numMergedOcc 0
7 mol 75 unq 0 iso 0 dist 7.16583 7.14313 10.0425 5.2027 11.673 6.33365 numMergedOcc 0
8 mol 75 unq 1 iso 0 dist 7.16583 7.14313 10.0425 6.77761 7.79912 5.15851 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 6.30103 8.24447 11.145 5.60777 10.2618 7.96555 numMergedOcc 0
10 mol 100 unq 0 iso 0 dist 9.57498 6.0026 7.2495 6.89762 6.45675 8.72704 numMergedOcc 0
11 mol 102 unq 0 iso 0 dist 7.48277 6.793 4.32286 7.49575 12.0341 9.94856 numMergedOcc 0
12 mol 102 unq 1 iso 0 dist 9.0361 6.793 5.498 7.49575 7.36792 9.94856 numMergedOcc 0
13 mol 115 unq 0 iso 0 dist 6.09472 8.81198 5.60178 12.0855 11.8322 6.87861 numMergedOcc 0
14 mol 115 unq 1 iso 0 dist 6.09472 8.81198 5.60178 5.74878 4.99221 6.50039 numMergedOcc 0
15 mol 133 unq 0 iso 0 dist 8.96061 6.61636 12.8483 14.1314 20.1365 7.92688 numMergedOcc 0
16 mol 155 unq 0 iso 0 dist 6.53758 8.54318 5.77564 10.0656 11.6934 7.16254 numMergedOcc 0
17 mol 155 unq 1 iso 0 dist 6.53758 8.54318 5.77564 12.7034 13.4817 9.14392 numMergedOcc 0
18 mol 173 unq 0 iso 0 dist 8.70197 7.33162 13.5291 7.92818 15.6765 7.93331 numMergedOcc 0
19 mol 173 unq 1 iso 0 dist 8.70197 7.33162 13.5291 8.40346 16.9856 6.98095 numMergedOcc 0
20 mol 173 unq 2 iso 0 dist 8.70197 7.33162 13.5291 11.3291 17.7194 8.31897 numMergedOcc 0
21 mol 220 unq 0 iso 0 dist 9.85951 9.49722 5.21956 14.13 12.9375 7.82944 numMergedOcc 0
22 mol 222 unq 0 iso 0 dist 7.27481 7.46845 7.61682 5.90074 7.54212 7.18956 numMergedOcc 0
23 mol 228 unq 0 iso 0 dist 9.4597 4.55699 8.6798 5.85714 12.0155 9.42615 numMergedOcc 0
24 mol 228 unq 1 iso 0 dist 9.4597 8.10816 5.37846 5.85714 12.0155 8.06181 numMergedOcc 0
25 mol 228 unq 2 iso 0 dist 9.4597 8.10816 5.37846 10.5025 13.6274 8.38048 numMergedOcc 0
26 mol 228 unq 3 iso 0 dist 9.4597 8.10816 5.37846 14.2891 12.3795 7.65132 numMergedOcc 0
27 mol 228 unq 4 iso 0 dist 9.4597 8.10816 5.37846 10.0386 12.2899 8.53764 numMergedOcc 0
28 mol 228 unq 5 iso 0 dist 9.29603 7.95486 5.03713 5.79543 11.6303 7.77367 numMergedOcc 0
29 mol 228 unq 6 iso 0 dist 9.29603 7.95486 5.03713 10.4968 13.1857 8.20909 numMergedOcc 0
30 mol 228 unq 7 iso 0 dist 9.29603 7.95486 5.03713 14.5051 12.1713 7.94506 numMergedOcc 0
31 mol 228 unq 8 iso 0 dist 9.29603 7.95486 5.03713 10.0847 11.9104 8.15494 numMergedOcc 0
32 mol 228 unq 9 iso 0 dist 9.29603 4.42593 8.37385 5.79543 11.6303 9.06121 numMergedOcc 0
33 mol 236 unq 0 iso 0 dist 6.73134 5.77356 6.40312 5.27568 8.35971 7.17676 numMergedOcc 0
34 mol 236 unq 1 iso 0 dist 6.73134 5.77356 6.40312 7.77821 11.2141 5.34718 numMergedOcc 0
35 mol 236 unq 2 iso 0 dist 6.73134 9.24309 6.2568 5.27568 8.35971 6.68463 numMergedOcc 0
36 mol 248 unq 0 iso 0 dist 6.44967 9.83514 6.48757 9.48478 7.69895 6.07192 numMergedOcc 0
37 mol 293 unq 0 iso 0 dist 8.78835 5.88449 4.74164 5.67215 13.3844 9.47908 numMergedOcc 0
38 mol 293 unq 1 iso 0 dist 8.78835 5.88449 4.74164 11.4201 12.7742 8.56847 numMergedOcc 0
39 mol 293 unq 2 iso 0 dist 8.78835 7.2668 7.0683 5.67215 13.3844 9.97212 numMergedOcc 0
