0 mol 20 unq 0 iso 0 dist 6.29711 4.6621 4.74809 13.1378 7.14069 10.5097 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 6.29711 4.6621 4.74809 14.7372 8.58641 12.7656 numMergedOcc 0
2 mol 20 unq 2 iso 0 dist 6.29711 4.6621 4.74809 11.8326 5.99466 10.2902 numMergedOcc 0
3 mol 20 unq 3 iso 0 dist 6.29711 11.5288 7.43882 13.1378 7.14069 10.3149 numMergedOcc 0
4 mol 20 unq 4 iso 0 dist 6.29711 11.5288 7.43882 14.7372 8.58641 9.84883 numMergedOcc 0
5 mol 20 unq 5 iso 0 dist 6.29711 11.5288 7.43882 11.8326 5.99466 5.22924 numMergedOcc 0
6 mol 20 unq 6 iso 0 dist 6.29711 9.3565 7.31198 13.1378 7.14069 11.2406 numMergedOcc 0
7 mol 20 unq 7 iso 0 dist 6.29711 9.3565 7.31198 14.7372 8.58641 13.0235 numMergedOcc 0
8 mol 20 unq 8 iso 0 dist 6.29711 9.3565 7.31198 11.8326 5.99466 9.92781 numMergedOcc 0
9 mol 20 unq 9 iso 0 dist 6.19906 4.6621 5.86181 11.8326 9.07213 10.2902 numMergedOcc 0
10 mol 20 unq 10 iso 0 dist 6.19906 11.5288 6.3253 11.8326 9.07213 5.22924 numMergedOcc 0
11 mol 20 unq 11 iso 0 dist 6.19906 9.3565 5.80568 11.8326 9.07213 9.92781 numMergedOcc 0
12 mol 26 unq 0 iso 0 dist 8.35396 4.27162 6.56527 12.1179 6.7142 10.0347 numMergedOcc 0
13 mol 48 unq 0 iso 0 dist 5.78969 5.68596 8.29857 5.87411 6.03404 9.02536 numMergedOcc 0
14 mol 48 unq 1 iso 0 dist 5.7898 5.69576 8.19993 5.92474 6.07052 9.12073 numMergedOcc 0
15 mol 100 unq 0 iso 0 dist 8.4705 11.7384 9.5057 6.13237 6.59691 12.48 numMergedOcc 0
16 mol 141 unq 0 iso 0 dist 7.90709 8.90481 9.83945 14.9396 7.42144 16.2294 numMergedOcc 0
17 mol 141 unq 1 iso 0 dist 7.90709 8.90481 9.83945 13.1743 6.27658 15.9806 numMergedOcc 0
18 mol 141 unq 2 iso 0 dist 9.03842 8.90481 6.75376 3.29302 9.27009 6.93828 numMergedOcc 0
19 mol 171 unq 0 iso 0 dist 6.73995 12.8052 7.22518 4.08831 9.34834 14.0016 numMergedOcc 0
20 mol 171 unq 1 iso 0 dist 6.73995 12.8052 7.22518 5.47078 5.74846 11.4302 numMergedOcc 0
21 mol 171 unq 2 iso 0 dist 6.73995 9.23265 5.25109 4.08831 9.34834 10.0655 numMergedOcc 0
22 mol 171 unq 3 iso 0 dist 6.73995 9.23265 5.25109 5.47078 5.74846 4.88147 numMergedOcc 0
23 mol 171 unq 4 iso 0 dist 8.619 14.7924 7.22518 7.327 9.34834 14.0016 numMergedOcc 0
24 mol 171 unq 5 iso 0 dist 8.619 14.7924 7.22518 3.4213 5.74846 11.4302 numMergedOcc 0
25 mol 171 unq 6 iso 0 dist 8.619 7.86006 5.25109 7.327 9.34834 10.0655 numMergedOcc 0
26 mol 171 unq 7 iso 0 dist 8.619 7.86006 5.25109 3.4213 5.74846 4.88147 numMergedOcc 0
27 mol 184 unq 0 iso 0 dist 9.02161 5.9935 7.54099 5.25033 7.58375 4.67256 numMergedOcc 0
28 mol 184 unq 1 iso 0 dist 8.38137 8.11291 7.54099 3.56524 7.58375 4.67256 numMergedOcc 0
29 mol 192 unq 0 iso 0 dist 5.47004 3.72014 8.26288 8.28507 9.40971 11.3394 numMergedOcc 0
30 mol 192 unq 1 iso 0 dist 5.47004 7.05918 6.60053 8.28507 9.40971 5.80651 numMergedOcc 0
31 mol 192 unq 2 iso 0 dist 7.36742 7.05918 9.36796 8.28507 9.8428 5.80651 numMergedOcc 0
32 mol 196 unq 0 iso 0 dist 9.80811 9.42947 9.62455 10.9116 8.48879 5.40367 numMergedOcc 0
33 mol 196 unq 1 iso 0 dist 9.80811 9.42947 9.62455 12.7653 5.89591 11.2785 numMergedOcc 0
34 mol 196 unq 2 iso 0 dist 9.80811 9.42947 9.62455 17.7292 9.72376 17.7382 numMergedOcc 0
35 mol 225 unq 0 iso 0 dist 7.93342 6.88681 8.37739 9.03441 6.94762 3.94409 numMergedOcc 0
36 mol 225 unq 1 iso 0 dist 7.93342 6.88681 8.37739 3.53631 9.89167 8.31193 numMergedOcc 0
37 mol 225 unq 2 iso 0 dist 7.93342 4.55231 9.47237 9.03441 6.94762 6.88465 numMergedOcc 0
38 mol 225 unq 3 iso 0 dist 7.93342 4.55231 9.47237 3.53631 9.89167 6.8122 numMergedOcc 0
39 mol 232 unq 0 iso 0 dist 6.02641 6.25229 9.8664 3.42966 6.59036 4.68548 numMergedOcc 0
40 mol 274 unq 0 iso 0 dist 9.71673 10.4158 6.88827 16.599 8.60027 13.3632 numMergedOcc 0
41 mol 274 unq 1 iso 0 dist 9.71673 14.9486 9.16942 16.599 8.60027 5.39432 numMergedOcc 0
42 mol 277 unq 0 iso 0 dist 9.04531 6.17749 8.20644 14.6245 9.26157 16.0346 numMergedOcc 0
