0 mol 7 unq 0 iso 0 dist 9.02869 5.83658 5.37308 4.47024 9.49158 6.58469 numMergedOcc 0
1 mol 8 unq 0 iso 0 dist 8.68949 8.89145 13.2274 9.95165 11.3943 12.1308 numMergedOcc 0
2 mol 8 unq 1 iso 0 dist 8.68949 6.92865 8.33226 9.95165 11.3943 5.02333 numMergedOcc 0
3 mol 19 unq 0 iso 0 dist 8.75001 7.78708 5.18509 8.75332 9.99008 6.62608 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 8.75001 7.84393 12.48 8.75332 9.99008 6.49317 numMergedOcc 0
5 mol 24 unq 0 iso 0 dist 7.69637 6.85331 9.1927 4.61828 5.84111 6.00575 numMergedOcc 0
6 mol 48 unq 0 iso 0 dist 9.53081 5.36645 12.299 7.31914 8.84906 7.34452 numMergedOcc 0
7 mol 53 unq 0 iso 0 dist 6.70095 8.94173 7.7232 8.83047 5.75171 13.3355 numMergedOcc 0
8 mol 56 unq 0 iso 0 dist 7.43409 8.04926 3.73188 6.78356 8.80788 6.32957 numMergedOcc 0
9 mol 67 unq 0 iso 0 dist 8.27009 7.9572 10.6864 6.0478 12.4017 5.6313 numMergedOcc 0
10 mol 67 unq 1 iso 0 dist 8.27009 8.64208 13.0612 6.0478 12.4017 4.72525 numMergedOcc 0
11 mol 67 unq 2 iso 0 dist 5.80736 7.9572 6.3173 6.0478 8.30757 5.6313 numMergedOcc 0
12 mol 67 unq 3 iso 0 dist 5.80736 8.64208 11.8891 6.0478 8.30757 4.72525 numMergedOcc 0
13 mol 69 unq 0 iso 0 dist 8.70964 8.24121 6.57301 8.26633 5.01451 4.85355 numMergedOcc 0
14 mol 69 unq 1 iso 0 dist 8.70964 8.52371 10.2661 8.26633 5.01451 12.7346 numMergedOcc 0
15 mol 69 unq 2 iso 0 dist 8.70964 6.8198 8.09841 8.26633 5.01451 10.7616 numMergedOcc 0
16 mol 109 unq 0 iso 0 dist 8.53914 7.4371 9.09837 7.73993 5.71872 11.8348 numMergedOcc 0
17 mol 112 unq 0 iso 0 dist 9.42014 5.81552 6.29923 6.48223 5.9331 3.98564 numMergedOcc 0
18 mol 124 unq 0 iso 0 dist 7.18976 7.23052 5.1738 4.83761 6.62221 9.70339 numMergedOcc 0
19 mol 143 unq 0 iso 0 dist 6.87456 5.30872 8.03483 8.07799 7.56937 3.86476 numMergedOcc 0
20 mol 167 unq 0 iso 0 dist 7.20545 8.58946 4.70374 9.69541 6.13084 10.3157 numMergedOcc 0
21 mol 171 unq 0 iso 0 dist 6.19457 6.01711 6.89436 6.81707 5.04086 5.487 numMergedOcc 0
22 mol 214 unq 0 iso 0 dist 7.82201 9.40003 17.1162 6.40445 4.34898 15.2 numMergedOcc 0
23 mol 214 unq 1 iso 0 dist 5.86911 9.4835 13.1789 8.67237 4.34898 15.3526 numMergedOcc 0
24 mol 214 unq 2 iso 0 dist 5.86911 9.4835 13.1789 7.49436 9.85943 6.00534 numMergedOcc 0
25 mol 214 unq 3 iso 0 dist 7.89258 9.4835 10.1543 8.67237 7.98253 15.3526 numMergedOcc 0
26 mol 214 unq 4 iso 0 dist 7.89258 9.4835 10.1543 7.49436 7.94395 6.00534 numMergedOcc 0
27 mol 220 unq 0 iso 0 dist 6.39087 7.30244 12.2765 8.31564 8.13432 14.3172 numMergedOcc 0
28 mol 220 unq 1 iso 0 dist 6.39087 7.29796 13.2427 8.31564 8.13432 11.1607 numMergedOcc 0
29 mol 239 unq 0 iso 0 dist 8.48545 9.27989 13.3838 9.36997 12.0818 18.6229 numMergedOcc 0
30 mol 239 unq 1 iso 0 dist 8.48545 9.27989 13.3838 9.97907 5.77462 17.6269 numMergedOcc 0
31 mol 239 unq 2 iso 0 dist 8.48545 9.27989 13.3838 8.83751 10.4475 7.34872 numMergedOcc 0
32 mol 239 unq 3 iso 0 dist 8.48545 9.27989 13.3838 8.77688 5.68875 8.9361 numMergedOcc 0
33 mol 240 unq 0 iso 0 dist 7.19218 6.83069 5.36005 9.30056 5.48054 10.6074 numMergedOcc 0
34 mol 240 unq 1 iso 0 dist 7.19218 9.30995 4.4564 9.30056 5.48054 9.23135 numMergedOcc 0
35 mol 261 unq 0 iso 0 dist 4.85199 7.6414 4.25662 6.40153 5.48835 8.57648 numMergedOcc 0
36 mol 261 unq 1 iso 0 dist 9.72159 7.6414 12.864 6.40153 5.20812 8.57648 numMergedOcc 0
37 mol 274 unq 0 iso 0 dist 9.34051 9.81087 7.24261 9.4626 5.53273 7.52207 numMergedOcc 0
38 mol 279 unq 0 iso 0 dist 8.03486 6.47376 4.51031 7.5355 10.4013 6.15987 numMergedOcc 0
39 mol 281 unq 0 iso 0 dist 6.58925 9.48968 9.49279 7.86146 7.15594 12.462 numMergedOcc 0
40 mol 284 unq 0 iso 0 dist 7.74965 8.08993 4.76222 5.68818 5.94174 6.4399 numMergedOcc 0
41 mol 284 unq 1 iso 0 dist 7.74965 7.34344 13.4636 5.68818 5.94174 13.016 numMergedOcc 0
