0 mol 11 unq 0 iso 0 dist 5.90781 8.06254 6.06216 6.32552 7.8058 12.2977 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 5.90781 8.06254 6.06216 7.93648 6.34927 10.3939 numMergedOcc 0
2 mol 12 unq 0 iso 0 dist 8.8993 7.4036 10.5333 10.964 9.42122 12.511 numMergedOcc 0
3 mol 53 unq 0 iso 0 dist 6.22911 5.80996 6.40941 9.18121 7.57267 11.0998 numMergedOcc 0
4 mol 53 unq 1 iso 0 dist 6.76484 5.66861 6.40941 6.53895 7.57267 11.0998 numMergedOcc 0
5 mol 54 unq 0 iso 0 dist 6.46263 5.0478 7.21561 6.11985 5.76314 6.54052 numMergedOcc 0
6 mol 61 unq 0 iso 0 dist 8.22841 5.39827 5.3464 9.33927 9.4196 10.2725 numMergedOcc 0
7 mol 61 unq 1 iso 0 dist 5.74014 5.39827 6.19026 9.33927 7.61513 10.2725 numMergedOcc 0
8 mol 62 unq 0 iso 0 dist 9.09269 5.44722 6.12554 11.5076 8.19721 12.3465 numMergedOcc 0
9 mol 91 unq 0 iso 0 dist 8.56547 7.74952 9.18905 7.15993 8.42914 4.86532 numMergedOcc 0
10 mol 91 unq 1 iso 0 dist 5.23177 7.74952 8.00102 7.15993 8.17327 4.86532 numMergedOcc 0
11 mol 91 unq 2 iso 0 dist 6.77052 7.74952 11.1564 7.15993 9.52936 4.86532 numMergedOcc 0
12 mol 100 unq 0 iso 0 dist 7.3098 8.22984 6.8344 6.99392 9.86236 11.1428 numMergedOcc 0
13 mol 100 unq 1 iso 0 dist 9.90038 6.6157 6.8344 10.5642 9.86236 11.1428 numMergedOcc 0
14 mol 125 unq 0 iso 0 dist 9.06392 8.6317 11.2575 5.29844 7.0188 5.05869 numMergedOcc 0
15 mol 141 unq 0 iso 0 dist 7.65424 9.14007 9.90045 12.8035 9.1717 14.1512 numMergedOcc 0
16 mol 141 unq 1 iso 0 dist 7.65424 9.14007 9.90045 9.85394 8.8319 15.5018 numMergedOcc 0
17 mol 182 unq 0 iso 0 dist 6.06892 8.04856 5.91922 10.5943 7.37431 12.3472 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 8.3417 9.38735 9.9497 6.33629 6.23859 12.987 numMergedOcc 0
19 mol 186 unq 1 iso 0 dist 8.3417 8.89293 10.094 6.33629 6.23859 10.6751 numMergedOcc 0
20 mol 196 unq 0 iso 0 dist 7.21836 6.67699 7.68725 6.29554 9.67795 9.42877 numMergedOcc 0
21 mol 278 unq 0 iso 0 dist 5.76372 5.79682 6.60208 8.78056 7.81282 9.62872 numMergedOcc 0
22 mol 278 unq 1 iso 0 dist 6.25295 5.79682 4.19643 8.78056 6.08019 9.62872 numMergedOcc 0
23 mol 287 unq 0 iso 0 dist 7.80478 5.62568 8.18822 11.5033 5.06731 11.8219 numMergedOcc 0
24 mol 288 unq 0 iso 0 dist 7.80478 5.62568 8.18822 11.5033 5.06731 11.8219 numMergedOcc 0
25 mol 289 unq 0 iso 0 dist 7.80478 5.62568 8.18822 11.5033 5.06731 11.8219 numMergedOcc 0
