0 mol 0 unq 0 iso 0 dist 8.84413 8.74302 12.5665 7.46573 6.0681 14.4666 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 7.96742 5.55156 11.962 5.56616 6.0681 10.4002 numMergedOcc 0
2 mol 0 unq 2 iso 0 dist 8.82108 7.55723 5.13216 4.18909 5.83173 6.80636 numMergedOcc 0
3 mol 0 unq 3 iso 0 dist 8.82108 7.55723 5.13216 12.7194 9.94248 13.3498 numMergedOcc 0
4 mol 0 unq 4 iso 0 dist 8.90148 7.55723 5.16658 4.18909 8.903 6.80636 numMergedOcc 0
5 mol 0 unq 5 iso 0 dist 6.19218 9.5614 6.83587 7.4304 8.52471 10.4002 numMergedOcc 0
6 mol 0 unq 6 iso 0 dist 7.19397 5.55156 6.83587 5.56616 8.52471 10.4002 numMergedOcc 0
7 mol 19 unq 0 iso 0 dist 9.79426 7.78708 9.55318 6.31174 9.04865 12.3782 numMergedOcc 0
8 mol 19 unq 1 iso 0 dist 9.79426 7.84393 9.84922 6.31174 9.04865 8.73972 numMergedOcc 0
9 mol 48 unq 0 iso 0 dist 6.01454 5.36645 9.26483 4.16088 9.18584 8.09058 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 5.39171 4.24428 8.04817 5.14919 6.4154 5.64598 numMergedOcc 0
11 mol 73 unq 1 iso 0 dist 5.39171 6.30194 5.2774 5.14919 6.4154 4.65521 numMergedOcc 0
12 mol 73 unq 2 iso 0 dist 9.27355 4.24428 9.76331 18.2285 9.67601 17.4034 numMergedOcc 0
13 mol 73 unq 3 iso 0 dist 9.27355 6.30194 5.44275 18.2285 9.67601 13.8467 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 5.17734 5.97805 5.26273 9.07684 8.25207 11.444 numMergedOcc 0
15 mol 143 unq 0 iso 0 dist 6.68364 5.30872 5.4432 9.50497 5.90772 9.60643 numMergedOcc 0
16 mol 152 unq 0 iso 0 dist 7.53834 6.98781 7.24951 7.62564 8.85948 10.4459 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 9.94142 8.93307 11.5966 6.42195 9.9753 14.7405 numMergedOcc 0
18 mol 214 unq 0 iso 0 dist 9.81136 8.47248 4.82712 15.9026 6.35728 8.60247 numMergedOcc 0
19 mol 219 unq 0 iso 0 dist 4.67452 8.09769 10.0509 6.05882 9.52444 11.8471 numMergedOcc 0
20 mol 219 unq 1 iso 0 dist 4.67452 7.24832 5.48556 6.05882 9.52444 12.9372 numMergedOcc 0
21 mol 220 unq 0 iso 0 dist 7.57716 9.85951 9.86723 6.68039 9.55672 13.6512 numMergedOcc 0
22 mol 223 unq 0 iso 0 dist 5.75896 9.94212 7.19485 12.3056 9.67035 12.699 numMergedOcc 0
23 mol 223 unq 1 iso 0 dist 5.75896 7.34316 5.18719 12.3056 9.67035 11.0389 numMergedOcc 0
24 mol 224 unq 0 iso 0 dist 7.62593 4.79841 5.41021 7.32238 6.4508 6.67585 numMergedOcc 0
25 mol 227 unq 0 iso 0 dist 6.91184 6.095 5.0258 5.52229 9.69775 7.22914 numMergedOcc 0
26 mol 232 unq 0 iso 0 dist 5.92175 7.47238 4.90814 12.5026 9.00007 11.4727 numMergedOcc 0
27 mol 250 unq 0 iso 0 dist 8.38141 8.60184 7.64126 9.4791 9.91556 13.7198 numMergedOcc 0
28 mol 258 unq 0 iso 0 dist 6.08181 9.67877 5.09738 5.73199 9.9594 12.5546 numMergedOcc 0
29 mol 258 unq 1 iso 0 dist 6.08181 8.81059 13.8694 5.73199 9.9594 11.9425 numMergedOcc 0
30 mol 258 unq 2 iso 0 dist 6.08181 9.12006 14.0402 5.73199 9.9594 11.2799 numMergedOcc 0
31 mol 264 unq 0 iso 0 dist 7.61232 6.80096 5.11257 7.63354 9.71218 12.4292 numMergedOcc 0
32 mol 265 unq 0 iso 0 dist 4.03921 7.54805 5.11366 8.3872 9.01586 6.34034 numMergedOcc 0
33 mol 274 unq 0 iso 0 dist 7.21004 6.21831 4.97216 13.3277 9.36111 11.7787 numMergedOcc 0
34 mol 274 unq 1 iso 0 dist 8.75703 9.79674 10.7877 6.1159 9.36111 12.0104 numMergedOcc 0
35 mol 274 unq 2 iso 0 dist 8.75703 8.3291 4.97216 6.1159 9.36111 11.7787 numMergedOcc 0
36 mol 282 unq 0 iso 0 dist 5.62497 8.58671 4.85461 4.91806 5.2527 6.85028 numMergedOcc 0
