0 mol 61 unq 0 iso 0 dist 8.6338 8.61908 7.31677 6.16737 8.44473 4.90701 numMergedOcc 0
1 mol 61 unq 0 iso 1 dist 7.31677 8.61908 8.6338 4.90701 8.44473 6.16737 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 8.73093 3.44939 8.02104 8.60018 6.4104 7.06343 numMergedOcc 0
3 mol 73 unq 0 iso 1 dist 8.02104 3.44939 8.73093 7.06343 6.4104 8.60018 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 9.1622 3.44939 7.59013 16.5419 9.04731 13.6614 numMergedOcc 0
5 mol 73 unq 1 iso 1 dist 7.59013 3.44939 9.1622 13.6614 9.04731 16.5419 numMergedOcc 0
6 mol 73 unq 2 iso 0 dist 9.1622 3.44939 7.59013 5.96946 9.85884 3.27963 numMergedOcc 0
7 mol 73 unq 2 iso 1 dist 7.59013 3.44939 9.1622 3.27963 9.85884 5.96946 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 9.33989 3.94577 8.57953 11.9403 7.46657 9.03147 numMergedOcc 0
9 mol 76 unq 0 iso 1 dist 8.57953 3.94577 9.33989 9.03147 7.46657 11.9403 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 9.48694 15.4322 6.65267 16.0605 9.19659 4.45869 numMergedOcc 0
11 mol 133 unq 0 iso 1 dist 6.65267 15.4322 9.48694 4.45869 9.19659 16.0605 numMergedOcc 0
12 mol 133 unq 1 iso 0 dist 9.56319 10.5425 9.73038 14.4095 9.47554 5.37072 numMergedOcc 0
13 mol 133 unq 1 iso 1 dist 9.73038 10.5425 9.56319 5.37072 9.47554 14.4095 numMergedOcc 0
14 mol 167 unq 0 iso 0 dist 9.63473 7.49794 8.39087 12.9803 9.23645 6.32863 numMergedOcc 0
15 mol 167 unq 0 iso 1 dist 8.39087 7.49794 9.63473 6.32863 9.23645 12.9803 numMergedOcc 0
16 mol 185 unq 0 iso 0 dist 8.83768 5.81461 5.7065 11.3925 8.8978 12.0971 numMergedOcc 0
17 mol 185 unq 0 iso 1 dist 5.7065 5.81461 8.83768 12.0971 8.8978 11.3925 numMergedOcc 0
18 mol 185 unq 1 iso 0 dist 8.83768 5.81461 5.7065 6.14586 5.03193 4.53126 numMergedOcc 0
19 mol 185 unq 1 iso 1 dist 5.7065 5.81461 8.83768 4.53126 5.03193 6.14586 numMergedOcc 0
20 mol 205 unq 0 iso 0 dist 5.81277 5.80929 5.05912 4.78067 6.23932 4.2475 numMergedOcc 0
21 mol 205 unq 0 iso 1 dist 5.05912 5.80929 5.81277 4.2475 6.23932 4.78067 numMergedOcc 0
22 mol 205 unq 1 iso 0 dist 5.81277 9.66755 6.60429 4.78067 6.23932 6.8901 numMergedOcc 0
23 mol 205 unq 1 iso 1 dist 6.60429 9.66755 5.81277 6.8901 6.23932 4.78067 numMergedOcc 0
24 mol 205 unq 1 iso 0 dist 5.05912 4.20051 6.60429 4.2475 6.23932 6.8901 numMergedOcc 0
25 mol 205 unq 1 iso 1 dist 6.60429 4.20051 5.05912 6.8901 6.23932 4.2475 numMergedOcc 0
26 mol 212 unq 0 iso 0 dist 8.09185 9.449 7.27225 6.89695 9.55058 13.2173 numMergedOcc 0
27 mol 212 unq 0 iso 1 dist 7.27225 9.449 8.09185 13.2173 9.55058 6.89695 numMergedOcc 0
28 mol 212 unq 1 iso 0 dist 8.09185 5.23375 8.14212 6.89695 9.55058 7.25611 numMergedOcc 0
29 mol 212 unq 1 iso 1 dist 8.14212 5.23375 8.09185 7.25611 9.55058 6.89695 numMergedOcc 0
30 mol 212 unq 1 iso 0 dist 7.27225 7.17541 8.14212 13.2173 9.55058 7.25611 numMergedOcc 0
31 mol 212 unq 1 iso 1 dist 8.14212 7.17541 7.27225 7.25611 9.55058 13.2173 numMergedOcc 0
32 mol 236 unq 0 iso 0 dist 6.94194 4.83206 6.74849 4.71394 6.43046 4.3282 numMergedOcc 0
33 mol 236 unq 0 iso 1 dist 6.74849 4.83206 6.94194 4.3282 6.43046 4.71394 numMergedOcc 0
34 mol 239 unq 0 iso 0 dist 4.53228 6.04459 8.54078 8.37622 7.78671 5.55494 numMergedOcc 0
35 mol 239 unq 0 iso 1 dist 8.54078 6.04459 4.53228 5.55494 7.78671 8.37622 numMergedOcc 0
36 mol 265 unq 0 iso 0 dist 8.5774 10.4994 9.94957 4.39816 6.45326 10.4948 numMergedOcc 0
37 mol 265 unq 0 iso 1 dist 9.94957 10.4994 8.5774 10.4948 6.45326 4.39816 numMergedOcc 0
38 mol 265 unq 1 iso 0 dist 8.5774 5.78969 8.01664 4.39816 6.45326 7.73011 numMergedOcc 0
39 mol 265 unq 1 iso 1 dist 8.01664 5.78969 8.5774 7.73011 6.45326 4.39816 numMergedOcc 0
40 mol 265 unq 1 iso 0 dist 9.94957 5.97995 8.01664 10.4948 6.45326 7.73011 numMergedOcc 0
41 mol 265 unq 1 iso 1 dist 8.01664 5.97995 9.94957 7.73011 6.45326 10.4948 numMergedOcc 0
