0 mol 37 unq 0 iso 0 dist 7.23016 5.21001 8.28713 4.82875 6.48296 4.2096 numMergedOcc 0
1 mol 53 unq 0 iso 0 dist 6.22911 9.18121 7.57267 6.31644 9.26043 11.8682 numMergedOcc 0
2 mol 53 unq 1 iso 0 dist 6.22911 9.18121 7.57267 12.4671 7.72123 6.43175 numMergedOcc 0
3 mol 53 unq 2 iso 0 dist 6.76484 6.53895 7.57267 11.6996 9.26043 11.8682 numMergedOcc 0
4 mol 53 unq 3 iso 0 dist 6.76484 6.53895 7.57267 8.86683 7.72123 6.43175 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 9.24862 10.9926 7.52742 6.32628 6.27877 4.75717 numMergedOcc 0
6 mol 91 unq 0 iso 0 dist 9.19143 11.9399 8.42914 10.9008 8.01351 10.1359 numMergedOcc 0
7 mol 91 unq 1 iso 0 dist 9.19143 11.9399 8.42914 9.6451 8.98201 12.3884 numMergedOcc 0
8 mol 91 unq 2 iso 0 dist 9.19143 11.9399 8.42914 5.76563 6.4026 8.18224 numMergedOcc 0
9 mol 91 unq 3 iso 0 dist 9.19143 14.4901 8.17327 10.9008 8.01351 11.3866 numMergedOcc 0
10 mol 91 unq 4 iso 0 dist 9.19143 14.4901 8.17327 9.6451 8.98201 12.7683 numMergedOcc 0
11 mol 91 unq 5 iso 0 dist 9.19143 14.4901 8.17327 5.76563 6.4026 9.97979 numMergedOcc 0
12 mol 91 unq 6 iso 0 dist 9.19143 15.0526 9.52936 10.9008 8.01351 9.36488 numMergedOcc 0
13 mol 91 unq 7 iso 0 dist 9.19143 15.0526 9.52936 9.6451 8.98201 15.773 numMergedOcc 0
14 mol 91 unq 8 iso 0 dist 9.19143 15.0526 9.52936 5.76563 6.4026 11.8427 numMergedOcc 0
15 mol 91 unq 9 iso 0 dist 9.23907 15.5613 8.42914 14.1047 8.01351 10.1359 numMergedOcc 0
16 mol 91 unq 10 iso 0 dist 9.23907 15.5613 8.42914 7.54043 8.98201 12.3884 numMergedOcc 0
17 mol 91 unq 11 iso 0 dist 9.23907 15.5613 8.42914 8.05785 6.4026 8.18224 numMergedOcc 0
18 mol 91 unq 12 iso 0 dist 9.23907 16.4816 8.17327 14.1047 8.01351 11.3866 numMergedOcc 0
19 mol 91 unq 13 iso 0 dist 9.23907 16.4816 8.17327 7.54043 8.98201 12.7683 numMergedOcc 0
20 mol 91 unq 14 iso 0 dist 9.23907 16.4816 8.17327 8.05785 6.4026 9.97979 numMergedOcc 0
21 mol 91 unq 15 iso 0 dist 9.23907 18.1522 9.52936 14.1047 8.01351 9.36488 numMergedOcc 0
22 mol 91 unq 16 iso 0 dist 9.23907 18.1522 9.52936 7.54043 8.98201 15.773 numMergedOcc 0
23 mol 91 unq 17 iso 0 dist 9.23907 18.1522 9.52936 8.05785 6.4026 11.8427 numMergedOcc 0
24 mol 104 unq 0 iso 0 dist 6.12716 9.22115 9.71834 6.48717 9.0159 15.4887 numMergedOcc 0
25 mol 104 unq 1 iso 0 dist 6.12716 9.22115 9.71834 8.78204 5.46461 7.70689 numMergedOcc 0
26 mol 125 unq 0 iso 0 dist 9.505 9.1432 7.0188 8.53187 6.31546 11.9038 numMergedOcc 0
27 mol 125 unq 1 iso 0 dist 5.33187 6.82442 7.0188 6.65567 6.31546 11.9038 numMergedOcc 0
28 mol 252 unq 0 iso 0 dist 6.4889 4.26558 8.80432 8.64467 7.56716 9.13204 numMergedOcc 0
29 mol 278 unq 0 iso 0 dist 6.25295 8.78056 6.08019 5.10052 9.79758 11.0702 numMergedOcc 0
30 mol 279 unq 0 iso 0 dist 7.07268 11.9125 9.5174 4.91933 7.69328 15.2194 numMergedOcc 0
31 mol 279 unq 1 iso 0 dist 7.07268 11.9125 9.5174 8.89193 8.93979 7.34826 numMergedOcc 0
32 mol 283 unq 0 iso 0 dist 9.24924 16.0925 9.74822 12.7769 9.16563 5.96063 numMergedOcc 0
33 mol 283 unq 1 iso 0 dist 9.72248 15.535 9.74822 10.8956 9.16563 5.96063 numMergedOcc 0
