0 mol 48 unq 0 iso 0 dist 8.05728 7.40694 6.39496 8.572 9.60669 5.87697 numMergedOcc 0
1 mol 59 unq 0 iso 0 dist 8.61357 8.69443 12.9966 4.90216 9.95453 12.2061 numMergedOcc 0
2 mol 59 unq 1 iso 0 dist 8.61357 8.69443 12.9966 9.84217 5.6003 11.2603 numMergedOcc 0
3 mol 62 unq 0 iso 0 dist 6.35789 9.3913 10.1544 8.7531 5.94657 5.47272 numMergedOcc 0
4 mol 62 unq 1 iso 0 dist 6.35789 9.3913 10.1544 7.25138 13.0684 12.5032 numMergedOcc 0
5 mol 67 unq 0 iso 0 dist 8.34804 6.23298 10.2575 8.4702 8.43533 11.6017 numMergedOcc 0
6 mol 68 unq 0 iso 0 dist 5.73908 6.88786 9.86454 5.57551 5.08181 5.37935 numMergedOcc 0
7 mol 68 unq 1 iso 0 dist 6.77421 6.88786 6.30184 5.57551 8.41751 5.37935 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 5.37819 5.57712 5.88809 8.14427 5.63423 10.2236 numMergedOcc 0
9 mol 101 unq 0 iso 0 dist 7.22737 5.5199 6.63446 6.67863 4.4529 4.19577 numMergedOcc 0
10 mol 117 unq 0 iso 0 dist 9.83596 6.81489 5.13142 6.01857 6.41211 5.11935 numMergedOcc 0
11 mol 123 unq 0 iso 0 dist 8.56386 9.28454 10.9839 8.30974 13.0523 5.58056 numMergedOcc 0
12 mol 123 unq 1 iso 0 dist 8.56386 7.97266 9.13867 8.30974 13.0523 10.0663 numMergedOcc 0
13 mol 123 unq 2 iso 0 dist 7.15869 9.28454 7.44999 8.30974 6.41552 5.58056 numMergedOcc 0
14 mol 123 unq 3 iso 0 dist 7.15869 7.97266 7.70166 8.30974 6.41552 10.0663 numMergedOcc 0
15 mol 147 unq 0 iso 0 dist 9.21476 6.00651 4.93993 8.76449 9.03848 6.99467 numMergedOcc 0
16 mol 147 unq 1 iso 0 dist 9.21476 6.00651 4.93993 8.36182 5.58015 4.53687 numMergedOcc 0
17 mol 147 unq 2 iso 0 dist 9.21476 8.52428 7.55402 8.76449 9.03848 10.4515 numMergedOcc 0
18 mol 147 unq 3 iso 0 dist 9.21476 8.52428 7.55402 8.36182 5.58015 9.02691 numMergedOcc 0
19 mol 151 unq 0 iso 0 dist 5.62891 9.74969 7.72755 6.12972 4.5975 4.17025 numMergedOcc 0
20 mol 162 unq 0 iso 0 dist 8.37231 9.51731 3.96207 9.067 5.29862 3.57652 numMergedOcc 0
21 mol 183 unq 0 iso 0 dist 9.15795 5.83335 11.7914 7.16035 7.09962 9.54202 numMergedOcc 0
22 mol 183 unq 1 iso 0 dist 9.15795 5.83335 11.7914 6.2675 10.5443 4.96829 numMergedOcc 0
23 mol 183 unq 2 iso 0 dist 9.15795 9.92635 6.08414 7.16035 7.09962 10.7786 numMergedOcc 0
24 mol 183 unq 3 iso 0 dist 9.15795 9.92635 6.08414 6.2675 10.5443 14.145 numMergedOcc 0
25 mol 183 unq 4 iso 0 dist 8.72128 9.86506 15.1826 9.61725 7.09962 16.7354 numMergedOcc 0
26 mol 183 unq 5 iso 0 dist 8.72128 9.86506 15.1826 9.52042 10.5443 13.683 numMergedOcc 0
27 mol 183 unq 6 iso 0 dist 8.72128 7.86724 11.7914 9.61725 7.09962 9.54202 numMergedOcc 0
28 mol 183 unq 7 iso 0 dist 8.72128 7.86724 11.7914 9.52042 10.5443 4.96829 numMergedOcc 0
29 mol 183 unq 8 iso 0 dist 8.72128 7.85507 6.08414 9.61725 7.09962 10.7786 numMergedOcc 0
30 mol 183 unq 9 iso 0 dist 8.72128 7.85507 6.08414 9.52042 10.5443 14.145 numMergedOcc 0
31 mol 204 unq 0 iso 0 dist 8.40718 5.67196 11.2342 8.29256 13.1706 3.72258 numMergedOcc 0
32 mol 204 unq 1 iso 0 dist 8.40718 5.67196 11.2342 7.8274 5.79978 7.27203 numMergedOcc 0
33 mol 217 unq 0 iso 0 dist 8.72578 5.89788 10.8948 8.99517 12.1223 5.14933 numMergedOcc 0
34 mol 217 unq 1 iso 0 dist 8.80103 5.89788 5.21449 8.99517 5.32856 5.14933 numMergedOcc 0
35 mol 250 unq 0 iso 0 dist 5.43868 7.55313 7.05949 9.7302 7.10919 6.63175 numMergedOcc 0
36 mol 250 unq 1 iso 0 dist 5.43868 8.62074 4.69451 9.7302 7.10919 9.00103 numMergedOcc 0
37 mol 250 unq 2 iso 0 dist 7.02096 7.55313 6.34979 9.7302 4.7951 6.63175 numMergedOcc 0
38 mol 250 unq 3 iso 0 dist 7.02096 8.62074 10.5803 9.7302 4.7951 9.00103 numMergedOcc 0
39 mol 250 unq 4 iso 0 dist 9.80833 7.55313 13.2963 9.7302 10.5301 6.63175 numMergedOcc 0
40 mol 250 unq 5 iso 0 dist 9.80833 8.62074 10.0219 9.7302 10.5301 9.00103 numMergedOcc 0
41 mol 258 unq 0 iso 0 dist 9.17911 6.18894 11.4659 6.61322 13.3447 10.613 numMergedOcc 0
42 mol 294 unq 0 iso 0 dist 8.55037 5.27236 9.06411 7.48987 13.8815 4.99494 numMergedOcc 0
43 mol 294 unq 1 iso 0 dist 8.55037 5.27236 9.06411 8.35637 12.3727 9.15036 numMergedOcc 0
44 mol 294 unq 2 iso 0 dist 5.71656 5.27236 7.05161 7.48987 5.13965 4.99494 numMergedOcc 0
45 mol 294 unq 3 iso 0 dist 5.71656 5.27236 7.05161 8.35637 7.32602 9.15036 numMergedOcc 0
