0 mol 17 unq 0 iso 0 dist 8.62221 9.84476 3.14198 5.04858 4.64234 6.26254 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 9.84476 8.62221 3.14198 5.04858 6.26254 4.64234 numMergedOcc 0
2 mol 46 unq 0 iso 0 dist 9.942 5.92771 14.4922 5.79552 8.79378 11.5946 numMergedOcc 0
3 mol 46 unq 1 iso 0 dist 9.942 5.92771 14.4922 14.6072 9.7691 19.2823 numMergedOcc 0
4 mol 83 unq 0 iso 0 dist 6.72584 7.25594 5.72008 10.5201 9.94528 13.5083 numMergedOcc 0
5 mol 83 unq 1 iso 0 dist 6.72584 7.25594 5.72008 7.36012 8.94777 12.8722 numMergedOcc 0
6 mol 83 unq 2 iso 0 dist 6.72584 7.25594 5.72008 14.1233 9.47551 10.8332 numMergedOcc 0
7 mol 123 unq 0 iso 0 dist 8.09329 5.80266 9.29446 7.43229 8.30974 12.6783 numMergedOcc 0
8 mol 123 unq 1 iso 0 dist 6.13025 5.18305 7.48549 7.19969 8.30974 11.5662 numMergedOcc 0
9 mol 123 unq 2 iso 0 dist 6.13025 6.78431 9.29446 7.19969 8.30974 12.6783 numMergedOcc 0
10 mol 168 unq 0 iso 0 dist 6.24232 6.13116 5.29906 10.8619 6.48066 11.6064 numMergedOcc 0
11 mol 168 unq 1 iso 0 dist 8.1953 8.16253 5.29906 12.8199 6.48066 11.6064 numMergedOcc 0
12 mol 168 unq 2 iso 0 dist 6.13116 6.24232 5.29906 4.48341 8.47543 10.4746 numMergedOcc 0
13 mol 168 unq 3 iso 0 dist 8.16253 8.1953 5.29906 15.3661 8.47543 10.4746 numMergedOcc 0
14 mol 169 unq 0 iso 0 dist 9.03941 8.69094 5.75027 13.2649 7.50458 9.62632 numMergedOcc 0
15 mol 184 unq 0 iso 0 dist 9.35481 9.11936 10.9743 7.11382 7.65214 13.1399 numMergedOcc 0
16 mol 184 unq 1 iso 0 dist 9.35481 8.20517 14.6266 7.11382 7.65214 15.1361 numMergedOcc 0
17 mol 254 unq 0 iso 0 dist 8.4346 7.97728 2.67738 8.84597 9.09568 9.99168 numMergedOcc 0
18 mol 254 unq 1 iso 0 dist 8.4346 7.97728 2.67738 13.2094 7.84221 9.67383 numMergedOcc 0
19 mol 254 unq 2 iso 0 dist 7.97728 8.4346 2.67738 8.84597 9.99168 9.09568 numMergedOcc 0
20 mol 254 unq 3 iso 0 dist 7.97728 8.4346 2.67738 13.2094 9.67383 7.84221 numMergedOcc 0
21 mol 257 unq 0 iso 0 dist 6.19418 9.81401 5.38367 10.3089 9.82105 12.5291 numMergedOcc 0
22 mol 265 unq 0 iso 0 dist 7.71301 9.19805 5.7556 9.37522 5.8898 9.81436 numMergedOcc 0
23 mol 277 unq 0 iso 0 dist 9.00122 6.47907 3.75238 6.11777 8.72101 8.75619 numMergedOcc 0
24 mol 277 unq 1 iso 0 dist 9.00122 6.47907 3.75238 11.7535 5.11998 5.79925 numMergedOcc 0
25 mol 277 unq 2 iso 0 dist 6.47907 9.00122 3.75238 6.11777 8.75619 8.72101 numMergedOcc 0
26 mol 277 unq 3 iso 0 dist 6.47907 9.00122 3.75238 11.7535 5.79925 5.11998 numMergedOcc 0
27 mol 277 unq 4 iso 0 dist 6.47907 9.00122 3.75238 10.9916 8.55906 11.3414 numMergedOcc 0
28 mol 277 unq 5 iso 0 dist 6.47907 9.00122 3.75238 4.65535 5.55523 8.87837 numMergedOcc 0
29 mol 287 unq 0 iso 0 dist 6.23874 6.68956 4.68872 11.5428 8.71974 11.3164 numMergedOcc 0
30 mol 287 unq 1 iso 0 dist 6.23874 6.68956 4.68872 13.0637 8.82649 12.9568 numMergedOcc 0
31 mol 287 unq 2 iso 0 dist 6.23874 6.68956 4.68872 7.33382 7.35776 9.59195 numMergedOcc 0
32 mol 287 unq 3 iso 0 dist 6.68956 6.23874 4.68872 7.33382 9.59195 7.35776 numMergedOcc 0
33 mol 288 unq 0 iso 0 dist 6.23874 6.68956 4.68872 11.5428 8.71974 11.3164 numMergedOcc 0
34 mol 288 unq 1 iso 0 dist 6.23874 6.68956 4.68872 13.0637 8.82649 12.9568 numMergedOcc 0
35 mol 288 unq 2 iso 0 dist 6.23874 6.68956 4.68872 7.33382 7.35776 9.59195 numMergedOcc 0
36 mol 288 unq 3 iso 0 dist 6.68956 6.23874 4.68872 7.33382 9.59195 7.35776 numMergedOcc 0
37 mol 289 unq 0 iso 0 dist 6.23874 6.68956 4.68872 11.5428 8.71974 11.3164 numMergedOcc 0
38 mol 289 unq 1 iso 0 dist 6.23874 6.68956 4.68872 13.0637 8.82649 12.9568 numMergedOcc 0
39 mol 289 unq 2 iso 0 dist 6.23874 6.68956 4.68872 7.33382 7.35776 9.59195 numMergedOcc 0
40 mol 289 unq 3 iso 0 dist 6.68956 6.23874 4.68872 7.33382 9.59195 7.35776 numMergedOcc 0
41 mol 294 unq 0 iso 0 dist 6.70519 5.00754 4.59062 9.32871 7.48987 9.42655 numMergedOcc 0
