0 mol 4 unq 0 iso 0 dist 8.15534 7.58769 6.21697 12.7614 8.67981 14.676 5.12159 6.12485 6.86951 11.5212 numMergedOcc 0
1 mol 4 unq 1 iso 0 dist 8.15534 7.58769 6.21697 12.7614 8.67981 14.676 10.7952 9.04027 14.3341 3.6405 numMergedOcc 0
2 mol 87 unq 0 iso 0 dist 8.21588 6.62798 5.38943 6.02518 6.97882 9.4868 5.34066 5.62336 5.63748 6.27329 numMergedOcc 0
3 mol 87 unq 1 iso 0 dist 8.21588 6.62798 5.38943 13.04 7.7858 10.847 5.34066 5.62336 5.63748 7.88443 numMergedOcc 0
4 mol 87 unq 2 iso 0 dist 6.62798 8.21588 5.38943 6.02518 9.4868 6.97882 10.7803 9.90256 14.3873 15.7737 numMergedOcc 0
5 mol 87 unq 3 iso 0 dist 6.62798 8.21588 5.38943 6.02518 9.4868 6.97882 5.34066 5.63748 5.62336 6.27329 numMergedOcc 0
6 mol 87 unq 4 iso 0 dist 8.15104 9.94718 5.38943 8.93266 6.97882 9.4868 5.22028 5.62336 5.63748 6.27329 numMergedOcc 0
7 mol 87 unq 5 iso 0 dist 8.15104 9.94718 5.38943 4.33498 7.7858 10.847 5.22028 5.62336 5.63748 7.88443 numMergedOcc 0
8 mol 87 unq 6 iso 0 dist 9.94718 8.15104 5.38943 8.93266 9.4868 6.97882 13.2349 9.90256 14.3873 15.7737 numMergedOcc 0
9 mol 87 unq 7 iso 0 dist 9.94718 8.15104 5.38943 8.93266 9.4868 6.97882 5.22028 5.63748 5.62336 6.27329 numMergedOcc 0
10 mol 102 unq 0 iso 0 dist 7.90927 6.7095 12.2274 5.57291 9.22651 11.4359 11.8843 8.03869 17.5964 12.1115 numMergedOcc 0
11 mol 102 unq 1 iso 0 dist 7.90927 6.7095 12.2274 6.91222 5.32892 13.237 11.8843 8.03869 17.5964 7.26176 numMergedOcc 0
12 mol 103 unq 0 iso 0 dist 5.8915 7.95136 6.73664 5.18043 7.52954 11.6041 5.29804 8.078 7.66418 6.38538 numMergedOcc 0
13 mol 103 unq 1 iso 0 dist 5.8915 7.95136 6.73664 5.18043 7.52954 11.6041 8.4824 6.56481 13.1619 6.78021 numMergedOcc 0
14 mol 165 unq 0 iso 0 dist 7.22838 9.76113 11.3372 9.87383 9.8446 18.6384 5.97663 6.85551 14.8935 4.08841 numMergedOcc 0
15 mol 186 unq 0 iso 0 dist 9.35708 8.40313 5.95728 10.7753 5.31333 10.5988 12.3139 9.2254 14.4113 4.43567 numMergedOcc 0
16 mol 187 unq 0 iso 0 dist 9.55621 8.8048 12.8195 10.2744 5.82577 12.8654 9.61673 5.58167 14.98 10.7172 numMergedOcc 0
17 mol 187 unq 1 iso 0 dist 9.55621 8.8048 12.8195 10.2744 5.82577 12.8654 12.9459 8.0501 17.3296 4.75665 numMergedOcc 0
18 mol 192 unq 0 iso 0 dist 8.82945 6.6011 6.07205 15.0721 8.86627 13.6997 7.41218 7.36571 9.3964 8.61606 numMergedOcc 0
19 mol 192 unq 1 iso 0 dist 8.82945 6.6011 6.07205 15.0721 8.86627 13.6997 16.7139 9.80122 13.7273 4.25327 numMergedOcc 0
20 mol 192 unq 2 iso 0 dist 8.82945 6.6011 6.07205 15.0721 8.86627 13.6997 14.6803 9.17137 14.7669 4.97164 numMergedOcc 0
21 mol 192 unq 3 iso 0 dist 8.82945 6.6011 6.07205 12.6382 9.10569 13.262 7.41218 7.36571 9.3964 5.41356 numMergedOcc 0
22 mol 192 unq 4 iso 0 dist 8.82945 6.6011 6.07205 12.6382 9.10569 13.262 16.7139 9.80122 13.7273 8.1874 numMergedOcc 0
23 mol 192 unq 5 iso 0 dist 8.82945 6.6011 6.07205 12.6382 9.10569 13.262 14.6803 9.17137 14.7669 4.87986 numMergedOcc 0
24 mol 205 unq 0 iso 0 dist 9.54443 9.37257 12.4294 8.10536 7.55333 15.2638 12.5471 5.86839 17.889 6.67537 numMergedOcc 0
25 mol 236 unq 0 iso 0 dist 8.80671 9.81411 9.43276 10.8749 5.6568 14.0777 14.8289 7.74348 16.1333 4.24722 numMergedOcc 0
26 mol 266 unq 0 iso 0 dist 9.46926 7.72433 6.70676 5.43882 9.33791 10.8595 4.95934 8.8646 7.9555 8.55958 numMergedOcc 0
