0 mol 7 unq 0 iso 0 dist 5.51421 6.769 6.8464 10.6104 8.41585 5.0893 4.60206 5.99972 9.85147 12.0193 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.38387 4.99287 8.03754 11.0096 8.80331 14.0204 7.13085 8.95682 11.3298 6.18002 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 8.38387 4.99287 8.03754 11.8286 6.20293 13.1056 7.13085 8.95682 11.3298 8.38399 numMergedOcc 0
3 mol 85 unq 0 iso 0 dist 6.58793 11.4201 9.67557 10.1919 7.95579 6.53819 3.88757 7.54568 13.5302 10.2865 numMergedOcc 0
4 mol 85 unq 1 iso 0 dist 6.58793 11.4201 9.67557 9.21014 6.19965 9.9705 3.88757 7.54568 13.5302 8.09967 numMergedOcc 0
5 mol 85 unq 2 iso 0 dist 6.58793 11.4201 9.67557 7.83419 7.66905 15.3279 3.88757 7.54568 13.5302 4.65335 numMergedOcc 0
6 mol 101 unq 0 iso 0 dist 5.22543 6.01775 8.65215 4.50603 6.57035 9.17843 5.08458 6.98314 4.93063 5.53055 numMergedOcc 0
7 mol 109 unq 0 iso 0 dist 8.3164 12.6973 9.41191 11.5656 8.69985 12.7291 4.81814 7.80523 13.7792 7.74599 numMergedOcc 0
8 mol 122 unq 0 iso 0 dist 6.78949 4.24711 8.75778 7.54208 8.37808 9.00329 6.93382 9.23819 10.8777 7.39059 numMergedOcc 0
9 mol 122 unq 1 iso 0 dist 6.78949 4.24711 8.75778 7.54208 8.37808 9.00329 4.21285 8.88537 6.78281 5.0355 numMergedOcc 0
10 mol 122 unq 2 iso 0 dist 9.40018 13.7131 8.75778 11.0216 8.37808 9.00329 4.81033 9.23819 10.8777 7.39059 numMergedOcc 0
11 mol 122 unq 3 iso 0 dist 9.40018 13.7131 8.75778 11.0216 8.37808 9.00329 9.33734 8.88537 6.78281 5.0355 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 9.50322 15.9933 9.1146 5.37072 7.11802 11.0256 16.7326 9.22232 15.0618 16.0138 numMergedOcc 0
13 mol 133 unq 1 iso 0 dist 9.50322 15.9933 9.1146 5.37072 7.11802 11.0256 10.2948 9.22661 9.68947 5.92062 numMergedOcc 0
14 mol 133 unq 2 iso 0 dist 9.50322 15.9933 9.1146 5.37072 7.11802 11.0256 11.6924 7.56378 5.10826 6.61891 numMergedOcc 0
15 mol 205 unq 0 iso 0 dist 5.96555 4.12904 8.52924 4.6995 6.03031 7.17157 3.99238 6.03688 5.63231 8.15057 numMergedOcc 0
16 mol 205 unq 1 iso 0 dist 5.96555 4.12904 8.52924 10.7091 7.26832 11.993 3.99238 6.03688 5.63231 12.4957 numMergedOcc 0
17 mol 205 unq 2 iso 0 dist 5.96555 4.12904 8.52924 5.87892 7.80463 9.67882 3.99238 6.03688 5.63231 6.09749 numMergedOcc 0
18 mol 206 unq 0 iso 0 dist 9.36079 15.9979 8.11407 13.6173 7.7366 7.72969 10.9922 6.16414 11.6019 6.45859 numMergedOcc 0
19 mol 206 unq 1 iso 0 dist 9.36079 15.9979 8.11407 13.6173 7.7366 7.72969 9.89331 7.33701 9.98867 4.40897 numMergedOcc 0
20 mol 206 unq 2 iso 0 dist 9.36079 15.9979 8.11407 13.6173 7.7366 7.72969 8.83984 8.0871 9.88398 7.62219 numMergedOcc 0
21 mol 206 unq 3 iso 0 dist 7.42904 13.397 8.11407 9.96254 7.7366 7.72969 8.16827 6.16414 11.6019 6.45859 numMergedOcc 0
22 mol 206 unq 4 iso 0 dist 7.42904 13.397 8.11407 9.96254 7.7366 7.72969 6.06766 7.33701 9.98867 4.40897 numMergedOcc 0
23 mol 206 unq 5 iso 0 dist 7.42904 13.397 8.11407 9.96254 7.7366 7.72969 5.82916 8.0871 9.88398 7.62219 numMergedOcc 0
24 mol 249 unq 0 iso 0 dist 6.37672 7.08836 6.26142 9.07501 7.57994 5.59015 4.20164 5.48118 9.55793 10.7772 numMergedOcc 0
25 mol 249 unq 1 iso 0 dist 6.37672 7.08836 6.26142 4.24014 6.18582 4.77325 4.20164 5.48118 9.55793 7.04666 numMergedOcc 0
26 mol 249 unq 2 iso 0 dist 8.94023 9.91022 6.26142 9.53929 7.57994 5.59015 5.93404 5.48118 9.55793 10.7772 numMergedOcc 0
27 mol 249 unq 3 iso 0 dist 8.94023 9.91022 6.26142 5.36989 6.18582 4.77325 5.93404 5.48118 9.55793 7.04666 numMergedOcc 0
