0 mol 26 unq 0 iso 0 dist 5.497 14.3325 9.5053 9.06516 4.76998 6.38243 numMergedOcc 0
1 mol 45 unq 0 iso 0 dist 5.55096 4.52443 8.80014 5.81001 4.06745 7.72462 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 7.34031 10.2706 7.59316 18.4826 17.3353 9.80137 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 7.34031 10.2706 7.59316 17.5171 15.8613 8.34893 numMergedOcc 0
4 mol 48 unq 2 iso 0 dist 7.281 10.3548 7.51285 18.4467 17.3314 9.85865 numMergedOcc 0
5 mol 48 unq 3 iso 0 dist 7.281 10.3548 7.51285 17.9431 16.1572 8.74946 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 7.6481 5.36808 6.62229 8.13051 5.45005 6.87028 numMergedOcc 0
7 mol 58 unq 1 iso 0 dist 9.11258 9.17656 6.62229 10.1478 5.45005 6.87028 numMergedOcc 0
8 mol 98 unq 0 iso 0 dist 6.0129 13.6622 8.43352 6.61111 3.94967 8.75597 numMergedOcc 0
9 mol 114 unq 0 iso 0 dist 8.809 7.70536 9.17466 10.4222 4.08391 7.59156 numMergedOcc 0
10 mol 114 unq 1 iso 0 dist 5.79343 4.69847 9.17466 5.51885 4.08391 7.59156 numMergedOcc 0
11 mol 116 unq 0 iso 0 dist 7.35992 7.50935 8.79367 10.5436 3.82942 9.31005 numMergedOcc 0
12 mol 116 unq 1 iso 0 dist 6.49383 12.4955 8.79367 10.1719 3.82942 9.31005 numMergedOcc 0
13 mol 126 unq 0 iso 0 dist 7.36017 5.83002 5.94233 9.93613 5.50104 8.66815 numMergedOcc 0
14 mol 126 unq 1 iso 0 dist 5.14819 5.83002 8.56219 9.93613 7.02562 8.66815 numMergedOcc 0
15 mol 134 unq 0 iso 0 dist 8.55616 8.05714 9.30061 10.0977 16.1483 8.48313 numMergedOcc 0
16 mol 134 unq 1 iso 0 dist 8.55616 8.05714 9.30061 6.44575 11.5269 6.99345 numMergedOcc 0
17 mol 134 unq 2 iso 0 dist 8.55616 8.05714 9.30061 7.43401 6.93712 5.11043 numMergedOcc 0
18 mol 134 unq 3 iso 0 dist 8.73604 9.65798 9.30061 15.8119 16.1483 8.48313 numMergedOcc 0
19 mol 134 unq 4 iso 0 dist 8.73604 9.65798 9.30061 14.0978 11.5269 6.99345 numMergedOcc 0
20 mol 134 unq 5 iso 0 dist 8.73604 9.65798 9.30061 11.7151 6.93712 5.11043 numMergedOcc 0
21 mol 141 unq 0 iso 0 dist 5.26989 8.00633 6.94988 12.0433 10.1551 6.77921 numMergedOcc 0
22 mol 143 unq 0 iso 0 dist 9.30424 7.12863 6.95372 12.1784 6.11087 7.16698 numMergedOcc 0
23 mol 143 unq 1 iso 0 dist 9.30424 7.12863 6.95372 7.46803 4.06908 8.68663 numMergedOcc 0
24 mol 158 unq 0 iso 0 dist 9.6096 10.6936 5.8628 11.9435 4.09908 5.48379 numMergedOcc 0
25 mol 186 unq 0 iso 0 dist 8.97471 6.20673 7.02575 10.7045 8.65911 7.04815 numMergedOcc 0
26 mol 186 unq 1 iso 0 dist 8.97471 6.20673 7.02575 7.25339 3.87082 6.07389 numMergedOcc 0
27 mol 193 unq 0 iso 0 dist 7.60625 5.91268 7.8141 10.4153 9.96737 7.39445 numMergedOcc 0
28 mol 194 unq 0 iso 0 dist 8.52969 7.69247 5.68348 11.4718 4.002 5.53324 numMergedOcc 0
29 mol 194 unq 1 iso 0 dist 8.52969 7.69247 5.68348 7.10155 7.41775 6.72182 numMergedOcc 0
30 mol 227 unq 0 iso 0 dist 9.28891 4.3387 7.95359 12.1795 4.29073 9.71916 numMergedOcc 0
31 mol 234 unq 0 iso 0 dist 9.25517 6.56378 6.00582 6.86569 5.96499 8.52295 numMergedOcc 0
32 mol 234 unq 1 iso 0 dist 7.22019 5.3976 6.00582 10.9508 5.96499 8.52295 numMergedOcc 0
33 mol 250 unq 0 iso 0 dist 6.28538 7.62569 5.93798 10.6146 6.40609 6.93875 numMergedOcc 0
