0 mol 7 unq 0 iso 0 dist 8.14952 9.02869 8.4061 5.83658 4.92824 5.37308 4.47024 5.86605 9.49158 6.58469 numMergedOcc 0
1 mol 8 unq 0 iso 0 dist 9.00925 8.68949 16.2669 8.89145 5.7343 13.2274 9.95165 14.4767 11.3943 12.1308 numMergedOcc 0
2 mol 8 unq 1 iso 0 dist 9.00925 8.68949 16.2669 6.92865 11.3728 8.33226 9.95165 14.4767 11.3943 5.02333 numMergedOcc 0
3 mol 19 unq 0 iso 0 dist 9.3147 8.75001 10.2713 7.78708 9.38012 5.18509 8.75332 4.99617 9.99008 6.62608 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 9.3147 8.75001 10.2713 7.84393 10.5285 12.48 8.75332 4.99617 9.99008 6.49317 numMergedOcc 0
5 mol 19 unq 2 iso 0 dist 9.79426 8.75001 12.053 7.78708 9.55318 5.18509 8.75332 13.9869 9.99008 6.62608 numMergedOcc 0
6 mol 19 unq 3 iso 0 dist 9.79426 8.75001 12.053 7.84393 9.84922 12.48 8.75332 13.9869 9.99008 6.49317 numMergedOcc 0
7 mol 48 unq 0 iso 0 dist 8.36915 9.53081 13.2937 5.36645 8.03277 12.299 7.31914 5.09588 8.84906 7.34452 numMergedOcc 0
8 mol 48 unq 1 iso 0 dist 6.01454 9.53081 5.41488 5.36645 9.26483 12.299 7.31914 5.01407 8.84906 7.34452 numMergedOcc 0
9 mol 69 unq 0 iso 0 dist 8.36667 8.70964 11.5923 8.24121 14.9981 6.57301 8.26633 12.6278 5.01451 4.85355 numMergedOcc 0
10 mol 69 unq 1 iso 0 dist 8.36667 8.70964 11.5923 8.52371 13.689 10.2661 8.26633 12.6278 5.01451 12.7346 numMergedOcc 0
11 mol 69 unq 2 iso 0 dist 8.36667 8.70964 11.5923 6.8198 5.23597 8.09841 8.26633 12.6278 5.01451 10.7616 numMergedOcc 0
12 mol 112 unq 0 iso 0 dist 9.42175 9.42014 5.44978 5.81552 9.60908 6.29923 6.48223 7.99528 5.9331 3.98564 numMergedOcc 0
13 mol 143 unq 0 iso 0 dist 6.68364 6.87456 7.87375 5.30872 5.4432 8.03483 8.07799 7.37131 7.56937 3.86476 numMergedOcc 0
14 mol 167 unq 0 iso 0 dist 9.82329 7.20545 9.97915 8.58946 13.1346 4.70374 9.69541 5.68139 6.13084 10.3157 numMergedOcc 0
15 mol 171 unq 0 iso 0 dist 9.47945 6.19457 10.2353 6.01711 5.53673 6.89436 6.81707 10.6959 5.04086 5.487 numMergedOcc 0
16 mol 220 unq 0 iso 0 dist 7.35148 6.39087 11.4142 7.30244 10.48 12.2765 8.31564 6.57369 8.13432 14.3172 numMergedOcc 0
17 mol 220 unq 1 iso 0 dist 7.35148 6.39087 11.4142 7.29796 5.23846 13.2427 8.31564 6.57369 8.13432 11.1607 numMergedOcc 0
18 mol 239 unq 0 iso 0 dist 8.34832 8.48545 14.2079 9.27989 11.4465 13.3838 9.36997 12.8764 12.0818 18.6229 numMergedOcc 0
19 mol 239 unq 1 iso 0 dist 8.34832 8.48545 14.2079 9.27989 11.4465 13.3838 9.97907 14.9673 5.77462 17.6269 numMergedOcc 0
20 mol 239 unq 2 iso 0 dist 8.34832 8.48545 14.2079 9.27989 11.4465 13.3838 8.83751 8.27455 10.4475 7.34872 numMergedOcc 0
21 mol 239 unq 3 iso 0 dist 8.34832 8.48545 14.2079 9.27989 11.4465 13.3838 8.77688 13.5505 5.68875 8.9361 numMergedOcc 0
22 mol 261 unq 0 iso 0 dist 9.70222 4.85199 10.6318 7.6414 11.544 4.25662 6.40153 7.25156 5.48835 8.57648 numMergedOcc 0
23 mol 261 unq 1 iso 0 dist 9.70222 9.72159 4.97878 7.6414 11.544 12.864 6.40153 7.25156 5.20812 8.57648 numMergedOcc 0
24 mol 274 unq 0 iso 0 dist 6.12202 9.34051 10.3702 9.81087 7.96313 7.24261 9.4626 7.47773 5.53273 7.52207 numMergedOcc 0
25 mol 279 unq 0 iso 0 dist 5.78017 8.03486 7.78018 6.47376 5.34376 4.51031 7.5355 7.91886 10.4013 6.15987 numMergedOcc 0
26 mol 279 unq 1 iso 0 dist 8.78203 8.03486 5.38411 6.47376 5.86731 4.51031 7.5355 9.00832 10.4013 6.15987 numMergedOcc 0
27 mol 281 unq 0 iso 0 dist 6.7897 6.58925 4.37855 9.48968 5.71767 9.49279 7.86146 9.96217 7.15594 12.462 numMergedOcc 0
