0 mol 15 unq 0 iso 0 dist 8.37378 7.11548 6.03257 9.11751 6.19131 6.50647 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 5.56687 6.76331 6.93197 11.0406 6.78223 7.3022 numMergedOcc 0
2 mol 32 unq 0 iso 0 dist 8.07997 12.7517 8.5315 12.1797 5.52033 4.62858 numMergedOcc 0
3 mol 79 unq 0 iso 0 dist 5.33546 9.40625 9.78384 8.17967 6.49291 9.63599 numMergedOcc 0
4 mol 79 unq 1 iso 0 dist 5.33546 9.40625 9.78384 10.2454 6.4154 8.01743 numMergedOcc 0
5 mol 79 unq 2 iso 0 dist 5.72627 8.32896 9.26979 10.0611 5.97134 7.87237 numMergedOcc 0
6 mol 79 unq 3 iso 0 dist 7.68741 8.32896 9.05679 10.0611 9.00783 7.87237 numMergedOcc 0
7 mol 79 unq 4 iso 0 dist 9.76351 8.32896 4.93468 10.0611 4.52595 7.87237 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 9.58855 9.72019 8.42878 11.6254 16.0864 9.83981 numMergedOcc 0
9 mol 114 unq 1 iso 0 dist 9.58855 9.72019 8.42878 9.9778 11.1434 6.13559 numMergedOcc 0
10 mol 114 unq 2 iso 0 dist 9.58855 9.72019 8.42878 6.27701 4.41568 6.51395 numMergedOcc 0
11 mol 116 unq 0 iso 0 dist 8.3971 10.5909 8.38606 12.0097 6.10081 7.35992 numMergedOcc 0
12 mol 116 unq 1 iso 0 dist 8.3971 10.5909 8.38606 11.7331 4.94926 6.49383 numMergedOcc 0
13 mol 116 unq 2 iso 0 dist 6.74026 6.2875 8.38606 9.49798 6.10081 7.35992 numMergedOcc 0
14 mol 116 unq 3 iso 0 dist 6.74026 6.2875 8.38606 8.31955 4.94926 6.49383 numMergedOcc 0
15 mol 156 unq 0 iso 0 dist 8.75305 5.6621 8.21184 10.3998 11.9671 6.05323 numMergedOcc 0
16 mol 156 unq 1 iso 0 dist 5.13522 5.6621 5.9976 10.3998 8.69711 6.05323 numMergedOcc 0
17 mol 181 unq 0 iso 0 dist 8.90567 8.96857 8.86197 15.1211 8.15174 9.06217 numMergedOcc 0
18 mol 181 unq 1 iso 0 dist 8.90567 8.96857 8.86197 15.3047 11.047 7.13252 numMergedOcc 0
19 mol 192 unq 0 iso 0 dist 8.14859 9.72372 6.60053 11.3924 8.38671 7.33225 numMergedOcc 0
20 mol 192 unq 1 iso 0 dist 5.62421 9.72372 9.36796 11.3924 11.0721 7.33225 numMergedOcc 0
21 mol 238 unq 0 iso 0 dist 6.80544 4.04422 5.92374 10.136 9.71156 7.04753 numMergedOcc 0
22 mol 250 unq 0 iso 0 dist 5.92578 8.13148 9.70149 9.45903 7.73342 5.97993 numMergedOcc 0
23 mol 250 unq 1 iso 0 dist 5.92578 8.13148 9.70149 8.51531 5.66455 6.44252 numMergedOcc 0
24 mol 256 unq 0 iso 0 dist 9.74449 13.5199 6.37963 20.1119 10.4051 9.18903 numMergedOcc 0
25 mol 271 unq 0 iso 0 dist 6.85471 4.17949 5.92274 8.6344 4.51983 5.81266 numMergedOcc 0
26 mol 277 unq 0 iso 0 dist 9.35976 10.7039 8.20644 12.0741 6.56697 6.43034 numMergedOcc 0
