0 mol 8 unq 0 iso 0 dist 8.80278 8.37509 4.43686 8.76702 9.60336 5.7343 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 8.80278 8.37509 4.43686 6.27477 13.4423 11.3728 numMergedOcc 0
2 mol 8 unq 2 iso 0 dist 8.73998 8.37509 15.5539 8.76702 13.0138 5.7343 numMergedOcc 0
3 mol 8 unq 3 iso 0 dist 8.73998 8.37509 15.5539 6.27477 5.95251 11.3728 numMergedOcc 0
4 mol 18 unq 0 iso 0 dist 8.17979 5.94326 8.05216 7.23594 10.6394 5.73846 numMergedOcc 0
5 mol 42 unq 0 iso 0 dist 6.30589 8.71965 5.23686 7.06199 7.29621 9.81959 numMergedOcc 0
6 mol 61 unq 0 iso 0 dist 5.97418 8.46207 6.29462 8.60577 6.44323 10.2349 numMergedOcc 0
7 mol 64 unq 0 iso 0 dist 8.0009 9.51572 6.48377 8.93949 4.76091 8.20375 numMergedOcc 0
8 mol 64 unq 1 iso 0 dist 8.91298 9.51572 11.9543 8.93949 6.13923 8.20375 numMergedOcc 0
9 mol 66 unq 0 iso 0 dist 7.1612 7.48714 11.0946 8.04639 6.43842 12.1542 numMergedOcc 0
10 mol 66 unq 1 iso 0 dist 7.1612 7.48714 11.0946 7.69019 5.95767 6.66235 numMergedOcc 0
11 mol 86 unq 0 iso 0 dist 8.4254 9.34342 8.49831 5.49793 5.19926 4.98527 numMergedOcc 0
12 mol 103 unq 0 iso 0 dist 5.72494 6.13194 11.0116 5.94478 6.07628 7.24773 numMergedOcc 0
13 mol 103 unq 1 iso 0 dist 8.70106 6.13194 13.5214 5.94478 10.2138 7.24773 numMergedOcc 0
14 mol 127 unq 0 iso 0 dist 9.57623 6.46753 6.39358 9.79448 8.89539 9.75166 numMergedOcc 0
15 mol 130 unq 0 iso 0 dist 6.5114 7.04929 7.55204 9.78456 9.18721 5.10629 numMergedOcc 0
16 mol 131 unq 0 iso 0 dist 8.95717 6.30762 4.1643 9.64856 7.14559 5.29246 numMergedOcc 0
17 mol 131 unq 1 iso 0 dist 8.95717 6.30762 4.1643 6.38977 11.3296 8.25445 numMergedOcc 0
18 mol 131 unq 2 iso 0 dist 8.95717 6.30762 4.1643 9.69757 15.665 11.8349 numMergedOcc 0
19 mol 143 unq 0 iso 0 dist 9.76501 8.20024 4.25746 8.72463 7.03272 4.98373 numMergedOcc 0
20 mol 143 unq 1 iso 0 dist 9.76501 7.19059 8.05158 8.72463 7.03272 10.6381 numMergedOcc 0
21 mol 148 unq 0 iso 0 dist 8.60157 6.81055 13.8725 9.7168 5.77745 12.052 numMergedOcc 0
22 mol 148 unq 1 iso 0 dist 8.60157 6.81055 13.8725 7.38138 11.2162 5.2593 numMergedOcc 0
23 mol 148 unq 2 iso 0 dist 6.72591 6.81055 11.2206 9.7168 12.9245 12.052 numMergedOcc 0
24 mol 148 unq 3 iso 0 dist 6.72591 6.81055 11.2206 7.38138 10.5987 5.2593 numMergedOcc 0
25 mol 150 unq 0 iso 0 dist 8.59359 6.77966 13.845 9.61132 5.71213 11.9651 numMergedOcc 0
26 mol 150 unq 1 iso 0 dist 8.59359 6.77966 13.845 7.34423 11.2566 5.1918 numMergedOcc 0
27 mol 150 unq 2 iso 0 dist 6.80192 6.77966 11.1844 9.61132 12.8684 11.9651 numMergedOcc 0
28 mol 150 unq 3 iso 0 dist 6.80192 6.77966 11.1844 7.34423 10.4881 5.1918 numMergedOcc 0
29 mol 178 unq 0 iso 0 dist 7.33326 8.65373 10.3834 6.01118 5.84525 12.4317 numMergedOcc 0
30 mol 178 unq 1 iso 0 dist 7.33326 8.6561 6.29739 6.01118 5.84525 9.99051 numMergedOcc 0
31 mol 178 unq 2 iso 0 dist 7.33326 9.1197 4.95286 6.01118 5.84525 5.13245 numMergedOcc 0
32 mol 182 unq 0 iso 0 dist 7.03216 5.16184 4.39505 6.31492 9.72559 5.40949 numMergedOcc 0
33 mol 182 unq 1 iso 0 dist 9.42196 5.16184 11.2827 6.31492 13.9897 5.40949 numMergedOcc 0
34 mol 186 unq 0 iso 0 dist 8.98221 9.11273 4.96821 8.08787 9.13357 7.9704 numMergedOcc 0
35 mol 189 unq 0 iso 0 dist 8.81184 9.22035 6.53924 9.58744 13.1061 9.97708 numMergedOcc 0
36 mol 189 unq 1 iso 0 dist 9.71306 9.22035 17.3417 9.58744 11.7613 9.97708 numMergedOcc 0
37 mol 189 unq 2 iso 0 dist 9.20296 9.22035 14.0791 9.58744 6.36139 9.97708 numMergedOcc 0
38 mol 211 unq 0 iso 0 dist 5.02094 6.32818 7.02917 9.82765 11.3877 7.22929 numMergedOcc 0
39 mol 241 unq 0 iso 0 dist 8.89382 8.10617 5.71803 8.98617 4.68085 7.77159 numMergedOcc 0
40 mol 241 unq 1 iso 0 dist 8.89382 8.10617 5.71803 6.74552 10.8729 9.5998 numMergedOcc 0
41 mol 261 unq 0 iso 0 dist 9.0643 8.9569 12.8275 7.26647 6.80146 15.1428 numMergedOcc 0
42 mol 261 unq 1 iso 0 dist 9.0643 8.9569 12.8275 7.7309 9.00992 15.7709 numMergedOcc 0
43 mol 261 unq 2 iso 0 dist 7.4202 8.9569 7.11734 7.26647 12.9384 15.1428 numMergedOcc 0
44 mol 261 unq 3 iso 0 dist 7.4202 8.9569 7.11734 7.7309 11.479 15.7709 numMergedOcc 0
45 mol 279 unq 0 iso 0 dist 9.71938 8.85653 10.4766 8.27977 9.19671 6.03718 numMergedOcc 0
46 mol 282 unq 0 iso 0 dist 7.28238 9.40138 10.499 7.70229 6.17747 4.58403 numMergedOcc 0
47 mol 282 unq 1 iso 0 dist 7.28238 9.40138 10.499 7.90792 7.94567 5.04235 numMergedOcc 0
48 mol 282 unq 2 iso 0 dist 7.28238 8.37963 11.1224 7.70229 6.17747 14.9812 numMergedOcc 0
49 mol 282 unq 3 iso 0 dist 7.28238 8.37963 11.1224 7.90792 7.94567 15.4482 numMergedOcc 0
50 mol 282 unq 4 iso 0 dist 7.3389 9.40138 14.9652 7.70229 13.1327 4.58403 numMergedOcc 0
51 mol 282 unq 5 iso 0 dist 7.3389 9.40138 14.9652 7.90792 11.2762 5.04235 numMergedOcc 0
52 mol 282 unq 6 iso 0 dist 7.3389 8.37963 7.59308 7.70229 13.1327 14.9812 numMergedOcc 0
53 mol 282 unq 7 iso 0 dist 7.3389 8.37963 7.59308 7.90792 11.2762 15.4482 numMergedOcc 0
54 mol 284 unq 0 iso 0 dist 9.75137 7.71744 12.4757 9.27402 5.36955 9.00582 numMergedOcc 0
55 mol 284 unq 1 iso 0 dist 9.75137 7.71744 12.4757 9.26573 10.6793 7.29392 numMergedOcc 0
56 mol 284 unq 2 iso 0 dist 9.75137 4.70976 8.00007 9.27402 5.36955 5.21448 numMergedOcc 0
57 mol 284 unq 3 iso 0 dist 9.75137 4.70976 8.00007 9.26573 10.6793 5.10189 numMergedOcc 0
58 mol 293 unq 0 iso 0 dist 6.02106 9.50932 6.64058 8.90008 8.15525 5.13597 numMergedOcc 0
59 mol 293 unq 1 iso 0 dist 8.27274 9.50932 10.2071 8.90008 9.35524 5.13597 numMergedOcc 0
