0 mol 24 unq 0 iso 0 dist 9.54519 8.6586 6.7846 13.2653 5.54419 8.23075 12.1061 8.4051 7.85986 5.11617 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 9.54519 8.6586 6.7846 13.2653 5.54419 8.23075 6.53276 8.23446 7.8619 13.1779 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 9.54519 8.6586 6.7846 13.2653 5.54419 8.23075 6.81998 8.75662 11.0098 10.8238 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 9.54519 8.6586 6.7846 5.80023 7.36323 10.551 12.1061 8.4051 7.85986 13.2229 numMergedOcc 0
4 mol 24 unq 4 iso 0 dist 9.54519 8.6586 6.7846 5.80023 7.36323 10.551 6.53276 8.23446 7.8619 6.38336 numMergedOcc 0
5 mol 24 unq 5 iso 0 dist 9.54519 8.6586 6.7846 5.80023 7.36323 10.551 6.81998 8.75662 11.0098 6.7828 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 5.9747 9.68556 13.6536 4.75138 5.08437 14.3025 7.43001 6.65501 16.876 4.4057 numMergedOcc 0
7 mol 98 unq 1 iso 0 dist 5.9747 9.68556 13.6536 10.4417 6.48948 17.4636 7.43001 6.65501 16.876 7.42446 numMergedOcc 0
8 mol 98 unq 2 iso 0 dist 5.9747 9.68556 13.6536 11.3628 6.10456 18.9347 7.43001 6.65501 16.876 9.67482 numMergedOcc 0
9 mol 101 unq 0 iso 0 dist 5.22543 6.67863 6.2696 4.50603 6.57035 10.7342 5.08458 6.98314 9.44645 5.53055 numMergedOcc 0
10 mol 113 unq 0 iso 0 dist 8.89481 9.86767 13.0914 4.36935 5.86073 9.59585 11.2266 8.8822 9.34113 10.1816 numMergedOcc 0
11 mol 113 unq 1 iso 0 dist 8.89481 9.86767 13.0914 4.36935 5.86073 9.59585 9.01097 9.66219 5.35711 8.42718 numMergedOcc 0
12 mol 129 unq 0 iso 0 dist 6.38163 7.04904 10.3933 8.61575 9.61051 13.1959 7.03404 6.28565 8.98175 6.30169 numMergedOcc 0
13 mol 129 unq 1 iso 0 dist 6.38163 7.04904 10.3933 8.61575 9.61051 13.1959 4.92611 7.58957 11.6264 5.68211 numMergedOcc 0
14 mol 129 unq 2 iso 0 dist 6.38163 7.04904 10.3933 10.0961 5.83384 12.0878 7.03404 6.28565 8.98175 4.55551 numMergedOcc 0
15 mol 129 unq 3 iso 0 dist 6.38163 7.04904 10.3933 10.0961 5.83384 12.0878 4.92611 7.58957 11.6264 10.5488 numMergedOcc 0
16 mol 129 unq 4 iso 0 dist 6.38163 5.06053 9.27274 8.61575 9.61051 12.7909 7.03404 6.28565 9.41849 6.30169 numMergedOcc 0
17 mol 129 unq 5 iso 0 dist 6.38163 5.06053 9.27274 8.61575 9.61051 12.7909 4.92611 7.58957 9.93115 5.68211 numMergedOcc 0
18 mol 129 unq 6 iso 0 dist 6.38163 5.06053 9.27274 10.0961 5.83384 12.4085 7.03404 6.28565 9.41849 4.55551 numMergedOcc 0
19 mol 129 unq 7 iso 0 dist 6.38163 5.06053 9.27274 10.0961 5.83384 12.4085 4.92611 7.58957 9.93115 10.5488 numMergedOcc 0
20 mol 133 unq 0 iso 0 dist 9.3894 4.82356 6.12885 4.84607 6.5107 5.78814 11.5759 6.66772 10.218 7.12976 numMergedOcc 0
21 mol 133 unq 1 iso 0 dist 9.3894 4.82356 6.12885 13.0836 9.52634 11.6108 11.5759 6.66772 10.218 4.34568 numMergedOcc 0
22 mol 133 unq 2 iso 0 dist 9.50322 8.52036 10.3893 5.37072 7.11802 10.3827 16.7326 9.22232 15.8934 16.0138 numMergedOcc 0
23 mol 133 unq 3 iso 0 dist 9.50322 8.52036 10.3893 5.37072 7.11802 10.3827 10.2948 9.22661 11.4123 5.92062 numMergedOcc 0
24 mol 133 unq 4 iso 0 dist 9.50322 8.52036 10.3893 5.37072 7.11802 10.3827 11.6924 7.56378 15.4707 6.61891 numMergedOcc 0
25 mol 180 unq 0 iso 0 dist 9.88732 7.58661 4.38407 6.54937 9.62337 9.63576 10.6052 5.85827 9.14663 8.78204 numMergedOcc 0
26 mol 180 unq 1 iso 0 dist 9.88732 6.53993 9.89998 6.54937 9.62337 11.5859 10.6052 5.85827 13.5342 8.78204 numMergedOcc 0
27 mol 180 unq 2 iso 0 dist 5.77949 5.81023 4.38407 6.91082 9.62337 9.63576 5.62869 5.85827 9.14663 8.78204 numMergedOcc 0
28 mol 180 unq 3 iso 0 dist 5.77949 8.4285 9.89998 6.91082 9.62337 11.5859 5.62869 5.85827 13.5342 8.78204 numMergedOcc 0
29 mol 180 unq 4 iso 0 dist 8.68403 7.80553 4.38407 10.1423 9.62337 9.63576 8.39191 5.85827 9.14663 8.78204 numMergedOcc 0
30 mol 180 unq 5 iso 0 dist 8.68403 8.39019 9.89998 10.1423 9.62337 11.5859 8.39191 5.85827 13.5342 8.78204 numMergedOcc 0
31 mol 232 unq 0 iso 0 dist 9.29752 9.67243 5.61663 9.60401 8.27212 12.5802 6.36084 9.40808 11.6437 4.9377 numMergedOcc 0
32 mol 239 unq 0 iso 0 dist 6.44212 5.17335 4.61469 7.97883 6.16342 9.68695 8.28901 8.84636 11.637 4.30299 numMergedOcc 0
33 mol 241 unq 0 iso 0 dist 9.10633 8.49869 4.07839 7.20238 7.4631 10.0267 4.85571 7.89524 8.73192 4.45049 numMergedOcc 0
