0 mol 9 unq 0 iso 0 dist 8.47421 8.27962 9.29529 3.98483 8.04924 7.98363 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 8.47421 11.4878 7.2199 3.98483 8.04924 10.4204 numMergedOcc 0
2 mol 9 unq 2 iso 0 dist 6.33889 5.60154 7.2199 11.0722 9.82483 6.81435 numMergedOcc 0
3 mol 9 unq 3 iso 0 dist 6.33889 4.61049 6.9513 11.0722 9.82483 12.6271 numMergedOcc 0
4 mol 9 unq 4 iso 0 dist 6.33889 6.64015 9.16116 11.0722 9.82483 17.0455 numMergedOcc 0
5 mol 9 unq 5 iso 0 dist 6.33889 13.7377 8.47109 11.0722 9.82483 10.0146 numMergedOcc 0
6 mol 45 unq 0 iso 0 dist 6.99408 7.39653 8.13782 6.18811 7.95778 4.52443 numMergedOcc 0
7 mol 45 unq 1 iso 0 dist 9.3403 10.6095 8.13782 6.67086 7.95778 4.52443 numMergedOcc 0
8 mol 58 unq 0 iso 0 dist 8.63333 10.6476 6.96494 6.89191 7.93481 5.60902 numMergedOcc 0
9 mol 58 unq 1 iso 0 dist 8.63333 5.92889 7.01363 6.89191 7.93481 6.11542 numMergedOcc 0
10 mol 58 unq 2 iso 0 dist 8.89374 12.7331 6.96494 11.0355 7.93481 5.60902 numMergedOcc 0
11 mol 58 unq 3 iso 0 dist 8.89374 7.05413 7.01363 11.0355 7.93481 6.11542 numMergedOcc 0
12 mol 58 unq 4 iso 0 dist 6.46761 8.74789 6.96494 11.3547 7.93481 5.60902 numMergedOcc 0
13 mol 58 unq 5 iso 0 dist 6.46761 6.61756 7.01363 11.3547 7.93481 6.11542 numMergedOcc 0
14 mol 58 unq 6 iso 0 dist 9.73139 7.02095 6.96494 11.9834 7.93481 5.60902 numMergedOcc 0
15 mol 58 unq 7 iso 0 dist 9.73139 8.94672 7.01363 11.9834 7.93481 6.11542 numMergedOcc 0
16 mol 69 unq 0 iso 0 dist 7.04352 11.1718 9.70189 4.85355 9.52877 12.2777 numMergedOcc 0
17 mol 105 unq 0 iso 0 dist 8.36733 6.25861 6.52726 6.32377 8.76002 7.47184 numMergedOcc 0
18 mol 105 unq 1 iso 0 dist 8.36733 5.88211 9.12363 6.32377 8.76002 8.22974 numMergedOcc 0
19 mol 105 unq 2 iso 0 dist 8.36733 9.02292 6.50017 6.32377 8.76002 9.76939 numMergedOcc 0
20 mol 114 unq 0 iso 0 dist 6.73814 12.1324 9.86739 5.6074 8.11094 7.70536 numMergedOcc 0
21 mol 114 unq 1 iso 0 dist 6.73814 6.95201 8.39249 5.6074 8.11094 4.69847 numMergedOcc 0
22 mol 114 unq 2 iso 0 dist 6.73814 5.9968 8.93623 5.6074 8.11094 5.83121 numMergedOcc 0
23 mol 133 unq 0 iso 0 dist 7.92688 11.8989 9.94276 8.6769 9.4062 5.21856 numMergedOcc 0
24 mol 133 unq 1 iso 0 dist 7.92688 15.0734 9.05357 8.6769 9.4062 10.0359 numMergedOcc 0
25 mol 133 unq 2 iso 0 dist 7.92688 9.58627 5.99299 8.6769 9.4062 9.07371 numMergedOcc 0
26 mol 173 unq 0 iso 0 dist 7.93331 13.3053 9.79554 6.65184 7.54706 8.21295 numMergedOcc 0
27 mol 173 unq 1 iso 0 dist 6.98095 8.94065 9.79554 4.68119 7.54706 8.21295 numMergedOcc 0
28 mol 173 unq 2 iso 0 dist 8.31897 14.2537 9.79554 6.6407 7.54706 8.21295 numMergedOcc 0
29 mol 175 unq 0 iso 0 dist 9.31887 8.22779 4.79852 13.9336 7.01126 5.95187 numMergedOcc 0
30 mol 175 unq 1 iso 0 dist 9.31887 8.22779 4.79852 11.873 6.58434 5.46129 numMergedOcc 0
31 mol 213 unq 0 iso 0 dist 4.26212 4.93472 6.17451 5.90341 7.78247 4.78434 numMergedOcc 0
32 mol 213 unq 1 iso 0 dist 4.26212 4.93472 6.17451 5.84474 7.37935 10.7667 numMergedOcc 0
33 mol 218 unq 0 iso 0 dist 7.17547 4.54272 8.57853 10.3246 9.67381 7.02365 numMergedOcc 0
34 mol 218 unq 1 iso 0 dist 7.17547 4.54272 8.57853 5.7776 6.61099 5.84583 numMergedOcc 0
35 mol 218 unq 2 iso 0 dist 7.17547 10.2673 6.75035 10.3246 9.67381 5.31559 numMergedOcc 0
36 mol 218 unq 3 iso 0 dist 7.17547 10.2673 6.75035 5.7776 6.61099 8.21424 numMergedOcc 0
37 mol 218 unq 4 iso 0 dist 7.13323 6.8949 8.57853 9.8301 9.67381 7.02365 numMergedOcc 0
38 mol 218 unq 5 iso 0 dist 7.13323 6.8949 8.57853 9.97783 6.61099 5.84583 numMergedOcc 0
39 mol 218 unq 6 iso 0 dist 7.13323 6.60235 6.75035 9.8301 9.67381 5.31559 numMergedOcc 0
40 mol 218 unq 7 iso 0 dist 7.13323 6.60235 6.75035 9.97783 6.61099 8.21424 numMergedOcc 0
41 mol 227 unq 0 iso 0 dist 8.17891 13.3557 7.95168 10.5813 7.1372 5.95112 numMergedOcc 0
42 mol 227 unq 1 iso 0 dist 6.95902 8.8709 7.95168 7.22396 7.1372 5.95112 numMergedOcc 0
43 mol 238 unq 0 iso 0 dist 8.96531 4.65297 6.65088 7.69482 7.47235 5.8041 numMergedOcc 0
44 mol 238 unq 1 iso 0 dist 7.02475 8.82861 6.65088 7.83352 7.47235 5.8041 numMergedOcc 0
45 mol 238 unq 2 iso 0 dist 7.67322 8.82861 6.5772 11.0349 7.61203 5.88491 numMergedOcc 0
46 mol 238 unq 3 iso 0 dist 9.90142 15.7973 8.70193 10.7508 6.92409 5.88491 numMergedOcc 0
47 mol 238 unq 4 iso 0 dist 5.9216 10.438 8.70193 5.87253 6.92409 5.88491 numMergedOcc 0
48 mol 238 unq 5 iso 0 dist 7.49471 12.1252 6.17025 13.0113 6.89694 5.88491 numMergedOcc 0
49 mol 238 unq 6 iso 0 dist 7.49471 12.1252 6.17025 10.216 6.44735 5.8041 numMergedOcc 0
50 mol 238 unq 7 iso 0 dist 7.19008 8.82861 6.17025 11.0349 6.89694 5.88491 numMergedOcc 0
51 mol 238 unq 8 iso 0 dist 7.19008 8.82861 6.17025 7.83352 6.44735 5.8041 numMergedOcc 0
52 mol 239 unq 0 iso 0 dist 7.39747 7.04058 6.34801 5.66732 7.18771 10.151 numMergedOcc 0
53 mol 243 unq 0 iso 0 dist 8.61104 6.55284 9.1101 6.34358 6.01071 8.16841 numMergedOcc 0
54 mol 243 unq 1 iso 0 dist 8.61104 10.5389 8.93338 6.34358 6.01071 6.03041 numMergedOcc 0
55 mol 284 unq 0 iso 0 dist 7.52785 7.29657 7.5746 7.09757 7.94959 4.44855 numMergedOcc 0
56 mol 294 unq 0 iso 0 dist 9.03492 6.46298 7.72845 5.25615 8.32473 8.98519 numMergedOcc 0
