0 mol 24 unq 0 iso 0 dist 9.01567 13.0212 8.49709 11.1214 6.25108 6.01284 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.4051 13.6174 5.80953 11.2485 6.99746 8.24948 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 7.29868 5.69214 5.80953 10.7114 6.99746 8.24948 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 8.60554 5.11636 5.80953 6.72502 6.99746 8.24948 numMergedOcc 0
4 mol 24 unq 4 iso 0 dist 8.23446 5.50396 4.44526 11.9933 9.22115 7.96195 numMergedOcc 0
5 mol 24 unq 5 iso 0 dist 8.75662 5.50396 9.586 11.9933 9.15493 7.96195 numMergedOcc 0
6 mol 24 unq 6 iso 0 dist 9.44691 14.4081 9.586 10.9839 9.15493 7.96195 numMergedOcc 0
7 mol 26 unq 0 iso 0 dist 6.46104 5.56139 6.07276 10.4035 5.30297 6.73167 numMergedOcc 0
8 mol 26 unq 1 iso 0 dist 7.36856 7.73394 6.07276 8.6385 5.30297 6.73167 numMergedOcc 0
9 mol 41 unq 0 iso 0 dist 8.51663 13.4019 6.21128 9.57606 4.85777 7.56029 numMergedOcc 0
10 mol 98 unq 0 iso 0 dist 6.65501 10.4782 8.46823 15.6191 11.4207 6.83746 numMergedOcc 0
11 mol 98 unq 1 iso 0 dist 6.65501 10.4782 8.46823 12.285 8.26478 9.14707 numMergedOcc 0
12 mol 98 unq 2 iso 0 dist 6.65501 3.9764 4.62494 7.26086 11.2092 8.75597 numMergedOcc 0
13 mol 98 unq 3 iso 0 dist 6.65501 3.9764 4.62494 12.285 8.26478 9.18457 numMergedOcc 0
14 mol 119 unq 0 iso 0 dist 6.73586 4.39676 8.67537 12.6868 14.8901 9.57341 numMergedOcc 0
15 mol 141 unq 0 iso 0 dist 9.97343 13.4066 6.65731 7.86572 5.38571 6.77921 numMergedOcc 0
16 mol 141 unq 1 iso 0 dist 9.70413 8.54432 6.65731 10.271 5.38571 6.77921 numMergedOcc 0
17 mol 143 unq 0 iso 0 dist 7.78652 4.78563 5.06564 7.25673 6.60479 8.612 numMergedOcc 0
18 mol 143 unq 1 iso 0 dist 8.91301 4.78563 7.5373 7.25673 7.54337 8.612 numMergedOcc 0
19 mol 159 unq 0 iso 0 dist 8.4858 4.48323 9.35202 7.25742 7.97232 6.07821 numMergedOcc 0
20 mol 170 unq 0 iso 0 dist 9.10511 4.12764 6.47164 9.05166 7.29587 5.13268 numMergedOcc 0
21 mol 170 unq 1 iso 0 dist 6.35982 4.78249 6.47164 8.15099 7.29587 5.13268 numMergedOcc 0
22 mol 170 unq 2 iso 0 dist 7.51126 4.78249 9.65126 8.15099 8.73585 5.13268 numMergedOcc 0
23 mol 171 unq 0 iso 0 dist 9.61462 7.5383 7.47964 14.5662 11.6944 8.999 numMergedOcc 0
24 mol 188 unq 0 iso 0 dist 7.14503 9.71636 8.66624 8.57261 5.0782 7.79115 numMergedOcc 0
25 mol 194 unq 0 iso 0 dist 8.65535 10.0756 4.19371 6.26839 5.92931 5.53324 numMergedOcc 0
26 mol 194 unq 1 iso 0 dist 6.72379 4.66791 9.00322 8.83356 7.50057 6.72182 numMergedOcc 0
27 mol 195 unq 0 iso 0 dist 7.36683 5.41635 6.22742 6.60567 6.0634 6.34234 numMergedOcc 0
28 mol 195 unq 1 iso 0 dist 9.26504 6.04871 6.22742 7.62942 6.0634 6.34234 numMergedOcc 0
29 mol 212 unq 0 iso 0 dist 8.69988 3.9436 9.10288 6.29767 12.8059 5.50658 numMergedOcc 0
30 mol 212 unq 1 iso 0 dist 8.69988 3.9436 9.10288 11.1501 7.75271 9.10095 numMergedOcc 0
31 mol 212 unq 2 iso 0 dist 8.69988 3.9436 9.10288 8.74585 4.21442 9.22129 numMergedOcc 0
32 mol 212 unq 3 iso 0 dist 8.55903 3.9436 6.19798 6.29767 10.7914 5.50658 numMergedOcc 0
33 mol 212 unq 4 iso 0 dist 8.55903 3.9436 6.19798 11.1501 4.01146 9.10095 numMergedOcc 0
34 mol 212 unq 5 iso 0 dist 8.55903 3.9436 6.19798 8.74585 6.69225 9.22129 numMergedOcc 0
35 mol 227 unq 0 iso 0 dist 7.43071 5.0317 9.18728 8.03442 12.8075 9.43618 numMergedOcc 0
36 mol 227 unq 1 iso 0 dist 5.41321 5.0317 8.91971 8.03442 4.59123 9.43618 numMergedOcc 0
37 mol 227 unq 2 iso 0 dist 6.02296 5.83175 9.18728 12.2278 12.8075 9.43618 numMergedOcc 0
38 mol 234 unq 0 iso 0 dist 7.32499 13.1872 7.77911 12.4869 9.35405 9.08151 numMergedOcc 0
39 mol 279 unq 0 iso 0 dist 9.09855 4.14939 8.98854 6.43341 5.89415 7.37478 numMergedOcc 0
40 mol 279 unq 1 iso 0 dist 7.23721 10.7629 9.42255 15.7719 15.1378 7.37478 numMergedOcc 0
