0 mol 76 unq 0 iso 0 dist 8.62536 7.75075 7.1203 11.534 4.86696 11.3326 numMergedOcc 0
1 mol 90 unq 0 iso 0 dist 8.6308 8.96446 3.78122 4.28396 5.28331 5.24346 numMergedOcc 0
2 mol 101 unq 0 iso 0 dist 9.1109 6.54699 5.42817 4.80201 8.83779 8.19144 numMergedOcc 0
3 mol 101 unq 1 iso 0 dist 5.51185 6.54699 4.19577 4.80201 8.91685 8.19144 numMergedOcc 0
4 mol 102 unq 0 iso 0 dist 7.73836 9.5434 8.94532 11.9665 9.61193 18.025 numMergedOcc 0
5 mol 141 unq 0 iso 0 dist 9.98097 7.43045 4.45608 5.76787 7.43587 5.60448 numMergedOcc 0
6 mol 141 unq 1 iso 0 dist 9.98097 7.74168 12.8725 5.76787 7.43587 12.2952 numMergedOcc 0
7 mol 141 unq 2 iso 0 dist 9.98097 8.16507 10.9613 5.76787 7.43587 12.0042 numMergedOcc 0
8 mol 176 unq 0 iso 0 dist 7.02608 9.95907 8.18142 11.5221 7.69241 14.2028 numMergedOcc 0
9 mol 176 unq 1 iso 0 dist 7.02608 9.95907 8.18142 5.5435 8.56192 9.09371 numMergedOcc 0
10 mol 176 unq 2 iso 0 dist 7.02608 9.95907 8.18142 10.9534 7.77962 15.8552 numMergedOcc 0
11 mol 176 unq 3 iso 0 dist 7.02608 9.95907 8.18142 12.9083 8.6431 16.5992 numMergedOcc 0
12 mol 184 unq 0 iso 0 dist 5.13722 9.511 9.62165 10.5517 8.98606 16.1579 numMergedOcc 0
13 mol 184 unq 1 iso 0 dist 5.13722 7.72354 9.27535 10.5517 8.98606 16.5245 numMergedOcc 0
14 mol 185 unq 0 iso 0 dist 6.11382 8.12894 6.49896 4.96002 4.91046 10.387 numMergedOcc 0
15 mol 193 unq 0 iso 0 dist 5.19654 6.10013 3.41036 4.40965 6.63784 8.30069 numMergedOcc 0
16 mol 193 unq 1 iso 0 dist 5.19654 6.10013 3.41036 6.04442 9.00934 8.83551 numMergedOcc 0
17 mol 231 unq 0 iso 0 dist 8.63896 9.05675 4.54338 6.09153 8.27156 11.3623 numMergedOcc 0
18 mol 249 unq 0 iso 0 dist 6.04688 5.7671 7.19269 5.63037 7.80866 11.0551 numMergedOcc 0
19 mol 260 unq 0 iso 0 dist 8.3298 4.20369 9.7119 9.8997 8.69923 12.9301 numMergedOcc 0
20 mol 260 unq 1 iso 0 dist 8.3298 6.4165 10.9484 9.8997 8.69923 15.7026 numMergedOcc 0
21 mol 274 unq 0 iso 0 dist 9.94705 8.90276 5.08779 10.2664 8.23254 11.9455 numMergedOcc 0
22 mol 274 unq 1 iso 0 dist 9.94705 8.15409 4.91864 10.2664 8.23254 10.1071 numMergedOcc 0
