0 mol 9 unq 0 iso 0 dist 6.11048 5.67536 6.59312 9.27637 6.00657 5.71201 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 8.14998 6.96891 6.59312 11.2485 6.00657 5.71201 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.23075 5.11617 7.85986 4.93188 4.21283 4.90592 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 8.23075 5.11617 7.85986 14.156 15.6099 9.36461 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 4.7841 5.11617 4.30252 4.93188 4.97191 4.90592 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 4.7841 5.11617 4.30252 14.156 12.5557 9.36461 numMergedOcc 0
6 mol 26 unq 0 iso 0 dist 7.98005 10.9837 9.11311 8.44506 12.4814 9.5053 numMergedOcc 0
7 mol 28 unq 0 iso 0 dist 8.95154 8.4285 5.19518 7.28416 6.37119 7.40415 numMergedOcc 0
8 mol 58 unq 0 iso 0 dist 9.23438 10.2049 6.41008 14.62 6.21346 6.62229 numMergedOcc 0
9 mol 58 unq 1 iso 0 dist 7.17488 5.49591 6.41008 10.9864 6.21346 6.62229 numMergedOcc 0
10 mol 58 unq 2 iso 0 dist 6.79356 5.85698 6.41008 7.27383 6.21346 6.62229 numMergedOcc 0
11 mol 79 unq 0 iso 0 dist 5.25027 12.5946 8.96069 16.8777 11.6533 9.36156 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 4.80684 5.92984 6.21165 12.8231 8.90156 9.9151 numMergedOcc 0
13 mol 119 unq 1 iso 0 dist 7.60162 7.45148 6.21165 7.99623 8.90156 9.9151 numMergedOcc 0
14 mol 143 unq 0 iso 0 dist 8.64905 10.4028 7.2932 13.4668 5.42311 6.95372 numMergedOcc 0
15 mol 154 unq 0 iso 0 dist 8.89394 10.0639 8.90588 10.8041 4.83835 6.51014 numMergedOcc 0
16 mol 162 unq 0 iso 0 dist 7.93088 4.20425 5.67088 6.20182 5.21512 7.14263 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 5.90765 7.30024 8.72743 7.24795 9.28201 7.46987 numMergedOcc 0
18 mol 186 unq 1 iso 0 dist 9.65093 7.94756 8.2241 13.487 8.54557 7.02575 numMergedOcc 0
19 mol 232 unq 0 iso 0 dist 8.25985 4.9377 9.78273 7.83711 6.20756 6.57921 numMergedOcc 0
20 mol 232 unq 1 iso 0 dist 8.60731 14.3553 9.89191 16.3552 9.61604 7.38566 numMergedOcc 0
21 mol 253 unq 0 iso 0 dist 8.93741 6.0964 9.82605 11.6664 8.4971 8.15091 numMergedOcc 0
