0 mol 8 unq 0 iso 0 dist 8.68949 6.92865 8.33226 8.95363 12.8778 7.8922 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 8.75001 7.84393 12.48 4.93362 12.4926 6.36455 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 9.22152 5.87895 6.7228 9.6739 15.9056 9.24958 numMergedOcc 0
3 mol 33 unq 0 iso 0 dist 8.37901 5.66319 7.83082 6.24385 8.7979 8.00177 numMergedOcc 0
4 mol 71 unq 0 iso 0 dist 8.92529 8.21553 6.10737 11.7226 11.0196 7.77916 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 8.90896 5.79954 4.78435 5.67493 10.4296 7.04044 numMergedOcc 0
6 mol 109 unq 0 iso 0 dist 8.53914 7.4371 9.09837 5.02505 8.71813 8.67766 numMergedOcc 0
7 mol 112 unq 0 iso 0 dist 9.42014 5.81552 6.29923 7.79791 14.8658 8.729 numMergedOcc 0
8 mol 124 unq 0 iso 0 dist 7.18976 7.23052 5.1738 10.0311 11.7497 8.58188 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 8.76088 8.96061 8.99025 5.94764 11.1999 8.56003 numMergedOcc 0
10 mol 143 unq 0 iso 0 dist 5.40826 7.5984 9.02772 11.1239 10.7934 8.41611 numMergedOcc 0
11 mol 143 unq 1 iso 0 dist 5.40826 7.5984 9.02772 14.3979 15.3086 7.63338 numMergedOcc 0
12 mol 143 unq 2 iso 0 dist 5.40826 7.5984 9.02772 9.05442 13.5804 9.03707 numMergedOcc 0
13 mol 143 unq 3 iso 0 dist 5.40826 7.5984 9.02772 12.1804 15.4028 7.25673 numMergedOcc 0
14 mol 167 unq 0 iso 0 dist 7.20545 8.58946 4.70374 9.00245 12.5392 9.94125 numMergedOcc 0
15 mol 189 unq 0 iso 0 dist 6.38294 8.57361 6.35993 8.53414 10.8828 8.56355 numMergedOcc 0
16 mol 214 unq 0 iso 0 dist 4.36421 7.77535 7.98893 4.08418 5.96047 7.05523 numMergedOcc 0
17 mol 214 unq 1 iso 0 dist 7.82201 9.40003 17.1162 12.2978 18.7866 6.38157 numMergedOcc 0
18 mol 220 unq 0 iso 0 dist 9.89039 8.9077 13.6952 5.41948 12.6994 5.45036 numMergedOcc 0
19 mol 220 unq 1 iso 0 dist 9.89039 8.9077 13.6952 15.1445 22.9853 9.97586 numMergedOcc 0
20 mol 220 unq 2 iso 0 dist 8.57174 8.9077 13.8822 5.41948 12.3489 5.45036 numMergedOcc 0
21 mol 220 unq 3 iso 0 dist 8.57174 8.9077 13.8822 15.1445 16.3594 9.97586 numMergedOcc 0
22 mol 223 unq 0 iso 0 dist 6.97426 9.94212 15.9255 6.33419 13.2888 6.13306 numMergedOcc 0
23 mol 223 unq 1 iso 0 dist 8.87456 9.94212 17.7343 6.33419 14.513 6.13306 numMergedOcc 0
24 mol 229 unq 0 iso 0 dist 7.48693 8.0007 8.75723 7.57247 10.0674 5.77318 numMergedOcc 0
25 mol 230 unq 0 iso 0 dist 9.24729 8.33847 12.2372 5.02022 6.86851 6.41286 numMergedOcc 0
26 mol 236 unq 0 iso 0 dist 8.63249 6.36941 7.45579 7.05684 5.6241 8.50331 numMergedOcc 0
27 mol 240 unq 0 iso 0 dist 7.19218 6.83069 5.36005 8.30926 8.67485 9.47583 numMergedOcc 0
28 mol 240 unq 1 iso 0 dist 7.19218 9.30995 4.4564 8.30926 8.67485 8.44909 numMergedOcc 0
29 mol 258 unq 0 iso 0 dist 8.10903 8.81059 5.90131 15.4617 12.869 7.99477 numMergedOcc 0
30 mol 258 unq 1 iso 0 dist 8.10903 8.81059 5.90131 11.0527 12.8643 7.86627 numMergedOcc 0
31 mol 258 unq 2 iso 0 dist 8.10903 9.12006 9.68064 11.0527 12.8643 7.93574 numMergedOcc 0
32 mol 258 unq 3 iso 0 dist 8.70193 7.9357 4.51422 11.517 12.3875 7.99477 numMergedOcc 0
33 mol 258 unq 4 iso 0 dist 8.70193 7.9357 4.51422 5.04382 10.8981 7.86627 numMergedOcc 0
34 mol 258 unq 5 iso 0 dist 8.70193 5.79537 4.99997 5.04382 10.8981 7.93574 numMergedOcc 0
35 mol 258 unq 6 iso 0 dist 7.25618 8.81059 4.51422 15.4617 12.3875 7.99477 numMergedOcc 0
36 mol 258 unq 7 iso 0 dist 7.25618 8.81059 4.51422 11.0527 10.8981 7.86627 numMergedOcc 0
37 mol 258 unq 8 iso 0 dist 7.25618 9.12006 4.99997 11.0527 10.8981 7.93574 numMergedOcc 0
38 mol 261 unq 0 iso 0 dist 7.58385 8.50313 6.88989 11.2562 10.2554 8.60026 numMergedOcc 0
39 mol 261 unq 1 iso 0 dist 6.0437 8.50313 4.25662 11.2562 11.2569 8.60026 numMergedOcc 0
40 mol 261 unq 2 iso 0 dist 4.85199 7.6414 4.25662 13.4429 11.2569 8.60026 numMergedOcc 0
41 mol 261 unq 3 iso 0 dist 9.72159 7.6414 12.864 13.4429 21.1638 8.60026 numMergedOcc 0
