0 mol 4 unq 0 iso 0 dist 8.15534 7.58769 6.21697 12.7614 8.67981 14.676 numMergedOcc 0
1 mol 69 unq 0 iso 0 dist 9.16791 6.57452 11.6757 15.1514 9.00405 19.4738 numMergedOcc 0
2 mol 69 unq 1 iso 0 dist 9.16791 6.57452 11.6757 9.90874 5.06756 14.6828 numMergedOcc 0
3 mol 87 unq 0 iso 0 dist 8.21588 6.62798 5.38943 6.02518 6.97882 9.4868 numMergedOcc 0
4 mol 87 unq 1 iso 0 dist 8.21588 6.62798 5.38943 13.04 7.7858 10.847 numMergedOcc 0
5 mol 87 unq 2 iso 0 dist 6.62798 8.21588 5.38943 6.02518 9.4868 6.97882 numMergedOcc 0
6 mol 87 unq 3 iso 0 dist 8.15104 9.94718 5.38943 8.93266 6.97882 9.4868 numMergedOcc 0
7 mol 87 unq 4 iso 0 dist 8.15104 9.94718 5.38943 4.33498 7.7858 10.847 numMergedOcc 0
8 mol 87 unq 5 iso 0 dist 9.94718 8.15104 5.38943 8.93266 9.4868 6.97882 numMergedOcc 0
9 mol 102 unq 0 iso 0 dist 7.90927 6.7095 12.2274 5.57291 9.22651 11.4359 numMergedOcc 0
10 mol 102 unq 1 iso 0 dist 7.90927 6.7095 12.2274 6.91222 5.32892 13.237 numMergedOcc 0
11 mol 103 unq 0 iso 0 dist 5.8915 7.95136 6.73664 5.18043 7.52954 11.6041 numMergedOcc 0
12 mol 165 unq 0 iso 0 dist 7.22838 9.76113 11.3372 9.87383 9.8446 18.6384 numMergedOcc 0
13 mol 186 unq 0 iso 0 dist 9.35708 8.40313 5.95728 10.7753 5.31333 10.5988 numMergedOcc 0
14 mol 187 unq 0 iso 0 dist 9.55621 8.8048 12.8195 10.2744 5.82577 12.8654 numMergedOcc 0
15 mol 192 unq 0 iso 0 dist 8.82945 6.6011 6.07205 15.0721 8.86627 13.6997 numMergedOcc 0
16 mol 192 unq 1 iso 0 dist 8.82945 6.6011 6.07205 12.6382 9.10569 13.262 numMergedOcc 0
17 mol 205 unq 0 iso 0 dist 9.54443 9.37257 12.4294 8.10536 7.55333 15.2638 numMergedOcc 0
18 mol 207 unq 0 iso 0 dist 4.70143 5.65418 6.28447 10.9621 8.27274 13.5173 numMergedOcc 0
19 mol 236 unq 0 iso 0 dist 8.80671 9.81411 9.43276 10.8749 5.6568 14.0777 numMergedOcc 0
20 mol 266 unq 0 iso 0 dist 9.46926 7.72433 6.70676 5.43882 9.33791 10.8595 numMergedOcc 0
21 mol 280 unq 0 iso 0 dist 4.55639 8.64546 7.98762 6.49238 7.78355 14.3993 numMergedOcc 0
22 mol 280 unq 1 iso 0 dist 7.72152 3.97964 7.98762 12.6225 7.78355 14.3993 numMergedOcc 0
