0 mol 115 unq 0 iso 0 dist 6.3982 5.93926 6.7225 5.29965 5.11551 5.39296 5.2929 5.3967 7.67341 8.35604 numMergedOcc 0
1 mol 129 unq 0 iso 0 dist 6.1421 7.55004 6.29026 7.86921 8.54584 11.5533 10.2926 4.80675 7.07421 10.1938 numMergedOcc 0
2 mol 129 unq 1 iso 0 dist 9.54663 8.10347 6.29026 6.95124 8.54584 11.5533 9.83241 4.80675 7.07421 10.1938 numMergedOcc 0
3 mol 182 unq 0 iso 0 dist 7.21035 6.16006 7.86625 8.27436 9.31746 5.40949 7.67974 4.85077 8.94671 12.503 numMergedOcc 0
4 mol 197 unq 0 iso 0 dist 9.00273 17.3985 8.64255 12.3192 8.56633 11.8861 15.9925 8.58314 8.51118 16.0172 numMergedOcc 0
5 mol 197 unq 1 iso 0 dist 7.19387 14.5201 8.64255 11.7609 8.56633 11.8861 11.2486 8.58314 8.51118 16.0172 numMergedOcc 0
6 mol 214 unq 0 iso 0 dist 9.33638 13.5629 8.49704 15.9383 9.65138 12.4611 18.7842 17.404 9.81136 18.7061 numMergedOcc 0
7 mol 214 unq 1 iso 0 dist 9.33638 13.5629 8.49704 7.31241 7.14453 11.832 18.7842 17.404 9.81136 17.5046 numMergedOcc 0
8 mol 214 unq 2 iso 0 dist 9.33638 13.5629 8.49704 17.0758 8.85478 10.644 18.7842 17.404 9.81136 18.1374 numMergedOcc 0
9 mol 220 unq 0 iso 0 dist 9.05754 11.6352 7.31105 15.9524 9.23153 14.6296 9.97248 6.19375 7.57712 15.0279 numMergedOcc 0
10 mol 220 unq 1 iso 0 dist 9.05754 11.6352 7.31105 10.0641 8.24498 9.52692 9.97248 6.19375 7.57712 13.2107 numMergedOcc 0
11 mol 236 unq 0 iso 0 dist 6.67907 10.4934 9.10613 5.81354 8.04248 6.0258 7.73969 5.52669 9.13126 6.73134 numMergedOcc 0
12 mol 249 unq 0 iso 0 dist 9.14351 10.0482 7.29898 12.1004 7.57994 6.6173 13.5489 12.5843 6.18866 12.4678 numMergedOcc 0
13 mol 249 unq 1 iso 0 dist 9.14351 10.0482 7.29898 9.40115 6.18582 8.95486 13.5489 12.5843 6.18866 15.0782 numMergedOcc 0
14 mol 249 unq 2 iso 0 dist 9.14351 14.5045 8.91685 12.1004 7.57994 5.25611 13.5489 12.5843 9.3807 12.4678 numMergedOcc 0
15 mol 249 unq 3 iso 0 dist 9.14351 14.5045 8.91685 9.40115 6.18582 9.66184 13.5489 12.5843 9.3807 15.0782 numMergedOcc 0
16 mol 259 unq 0 iso 0 dist 9.89728 16.8866 7.93997 5.07898 7.46176 14.8465 14.1251 8.63445 9.45077 14.4933 numMergedOcc 0
17 mol 259 unq 1 iso 0 dist 9.89728 16.8866 7.93997 5.07898 7.46176 14.8465 15.3515 6.18571 4.55368 13.6279 numMergedOcc 0
18 mol 277 unq 0 iso 0 dist 6.86014 9.93994 6.90434 4.83355 9.7748 13.2927 9.60879 7.44724 6.23539 14.2462 numMergedOcc 0
19 mol 277 unq 1 iso 0 dist 5.97073 9.83255 6.90434 11.2857 9.7748 13.2927 12.8843 7.44724 6.23539 14.2462 numMergedOcc 0
20 mol 277 unq 2 iso 0 dist 6.49176 11.3539 6.90434 14.4976 9.7748 13.2927 12.2822 7.44724 6.23539 14.2462 numMergedOcc 0
21 mol 278 unq 0 iso 0 dist 8.62414 18.1946 9.82774 12.2316 8.44326 10.5903 16.0862 8.66976 8.87405 15.1476 numMergedOcc 0
