0 mol 26 unq 0 iso 0 dist 8.8533 10.1933 5.69955 11.9181 8.6385 9.78225 13.0107 6.81213 7.51406 14.9006 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 6.87744 10.4881 5.69955 10.4441 8.6385 9.78225 9.41865 6.81213 7.51406 14.9006 numMergedOcc 0
2 mol 30 unq 0 iso 0 dist 6.40398 10.9094 8.7817 11.8694 7.55415 5.26258 8.69758 5.77009 8.21595 9.60744 numMergedOcc 0
3 mol 30 unq 1 iso 0 dist 6.40398 11.8694 7.55415 10.9094 8.7817 5.26258 8.69758 5.77009 9.60744 8.21595 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 9.17687 14.4151 9.93832 10.3283 8.60739 8.13395 16.8547 8.33667 9.17086 10.615 numMergedOcc 0
5 mol 70 unq 0 iso 0 dist 9.33262 9.66495 6.54023 9.9009 9.31969 5.22626 9.60641 6.69775 7.63663 12.2091 numMergedOcc 0
6 mol 70 unq 1 iso 0 dist 4.67358 5.33532 6.54023 9.17087 9.31969 5.22626 7.68652 6.69775 7.63663 12.2091 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 9.17137 12.602 5.88354 14.9745 7.89665 4.50554 17.2049 10.8678 7.00285 10.3108 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 9.17137 12.602 5.88354 14.9745 7.89665 4.50554 18.912 13.5865 8.02354 10.1372 numMergedOcc 0
9 mol 98 unq 2 iso 0 dist 9.17137 12.602 5.88354 6.80307 5.39354 7.40461 17.2049 10.8678 7.00285 13.7866 numMergedOcc 0
10 mol 98 unq 3 iso 0 dist 9.17137 12.602 5.88354 6.80307 5.39354 7.40461 18.912 13.5865 8.02354 14.6816 numMergedOcc 0
11 mol 98 unq 4 iso 0 dist 9.17137 12.602 5.88354 5.37332 5.74854 7.72877 17.2049 10.8678 7.00285 11.8527 numMergedOcc 0
12 mol 98 unq 5 iso 0 dist 9.17137 12.602 5.88354 5.37332 5.74854 7.72877 18.912 13.5865 8.02354 13.7128 numMergedOcc 0
13 mol 98 unq 6 iso 0 dist 9.17137 12.602 5.88354 12.921 8.76566 10.51 17.2049 10.8678 7.00285 17.2653 numMergedOcc 0
14 mol 98 unq 7 iso 0 dist 9.17137 12.602 5.88354 12.921 8.76566 10.51 18.912 13.5865 8.02354 17.8475 numMergedOcc 0
15 mol 98 unq 8 iso 0 dist 9.17137 12.602 5.88354 10.4811 8.8368 13.5683 17.2049 10.8678 7.00285 19.5694 numMergedOcc 0
16 mol 98 unq 9 iso 0 dist 9.17137 12.602 5.88354 10.4811 8.8368 13.5683 18.912 13.5865 8.02354 21.577 numMergedOcc 0
17 mol 98 unq 10 iso 0 dist 9.17137 10.4811 8.8368 12.602 5.88354 13.5683 13.044 9.70366 9.00692 15.3566 numMergedOcc 0
18 mol 98 unq 11 iso 0 dist 9.17137 10.4811 8.8368 12.602 5.88354 13.5683 10.0359 7.63357 6.26542 13.5014 numMergedOcc 0
19 mol 98 unq 12 iso 0 dist 9.17137 10.4811 8.8368 14.9745 7.89665 13.0697 13.044 9.70366 9.00692 16.4982 numMergedOcc 0
20 mol 98 unq 13 iso 0 dist 9.17137 10.4811 8.8368 14.9745 7.89665 13.0697 10.0359 7.63357 6.26542 14.6204 numMergedOcc 0
21 mol 98 unq 14 iso 0 dist 9.17137 10.4811 8.8368 6.80307 5.39354 8.31884 13.044 9.70366 9.00692 13.0945 numMergedOcc 0
22 mol 98 unq 15 iso 0 dist 9.17137 10.4811 8.8368 6.80307 5.39354 8.31884 10.0359 7.63357 6.26542 10.0471 numMergedOcc 0
23 mol 98 unq 16 iso 0 dist 9.17137 10.4811 8.8368 5.37332 5.74854 11.569 13.044 9.70366 9.00692 13.036 numMergedOcc 0
24 mol 98 unq 17 iso 0 dist 9.17137 10.4811 8.8368 5.37332 5.74854 11.569 10.0359 7.63357 6.26542 10.465 numMergedOcc 0
25 mol 98 unq 18 iso 0 dist 9.17137 10.4811 8.8368 12.921 8.76566 6.66172 13.044 9.70366 9.00692 13.8315 numMergedOcc 0
26 mol 98 unq 19 iso 0 dist 9.17137 10.4811 8.8368 12.921 8.76566 6.66172 10.0359 7.63357 6.26542 11.3239 numMergedOcc 0
27 mol 171 unq 0 iso 0 dist 9.95454 6.1522 5.10618 6.5015 7.71426 7.31409 13.1953 6.15895 7.13441 12.2067 numMergedOcc 0
28 mol 171 unq 1 iso 0 dist 9.95454 6.1522 5.10618 16.1675 9.86681 13.7214 13.1953 6.15895 7.13441 14.894 numMergedOcc 0
29 mol 195 unq 0 iso 0 dist 8.22643 13.577 7.62942 4.98231 6.60567 10.7531 17.886 9.80071 8.3705 15.8199 numMergedOcc 0
30 mol 205 unq 0 iso 0 dist 9.88251 13.9684 5.60393 14.4147 8.44861 7.38516 13.2201 6.37333 6.15806 12.9169 numMergedOcc 0
31 mol 238 unq 0 iso 0 dist 5.5826 11.1632 6.66971 11.0996 6.4398 5.40359 11.3851 6.85179 5.67917 8.96639 numMergedOcc 0
32 mol 238 unq 1 iso 0 dist 5.5826 11.1632 6.66971 5.18833 7.32982 10.0191 11.3851 6.85179 5.67917 12.6253 numMergedOcc 0
33 mol 238 unq 2 iso 0 dist 5.5826 11.0996 6.4398 11.1632 6.66971 5.40359 11.3851 6.85179 8.96639 5.67917 numMergedOcc 0
34 mol 238 unq 3 iso 0 dist 5.5826 11.0996 6.4398 5.18833 7.32982 10.1648 11.3851 6.85179 8.96639 12.6253 numMergedOcc 0
35 mol 240 unq 0 iso 0 dist 5.46783 14.5429 9.47583 13.8996 8.44909 4.28414 20.9186 17.2138 9.68888 13.7335 numMergedOcc 0
36 mol 278 unq 0 iso 0 dist 9.03362 12.6489 7.67245 14.7348 9.12395 5.74345 16.246 12.325 7.58272 13.0289 numMergedOcc 0
