0 mol 61 unq 0 iso 0 dist 8.6338 8.61908 7.31677 10.0633 8.8795 6.30737 numMergedOcc 0
1 mol 61 unq 0 iso 1 dist 7.31677 8.61908 8.6338 6.30737 8.8795 10.0633 numMergedOcc 0
2 mol 69 unq 0 iso 0 dist 7.00234 7.55848 7.30652 5.57378 7.03224 10.3741 numMergedOcc 0
3 mol 69 unq 0 iso 1 dist 7.30652 7.55848 7.00234 10.3741 7.03224 5.57378 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 8.73093 3.44939 8.02104 12.3943 7.48556 9.57143 numMergedOcc 0
5 mol 73 unq 0 iso 1 dist 8.02104 3.44939 8.73093 9.57143 7.48556 12.3943 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 9.1622 3.44939 7.59013 17.0484 8.07498 14.8028 numMergedOcc 0
7 mol 73 unq 1 iso 1 dist 7.59013 3.44939 9.1622 14.8028 8.07498 17.0484 numMergedOcc 0
8 mol 73 unq 2 iso 0 dist 9.1622 3.44939 7.59013 12.3943 9.47045 9.57143 numMergedOcc 0
9 mol 73 unq 2 iso 1 dist 7.59013 3.44939 9.1622 9.57143 9.47045 12.3943 numMergedOcc 0
10 mol 76 unq 0 iso 0 dist 8.92491 12.5963 7.41861 8.04327 5.73235 7.7047 numMergedOcc 0
11 mol 76 unq 0 iso 1 dist 7.41861 12.5963 8.92491 7.7047 5.73235 8.04327 numMergedOcc 0
12 mol 76 unq 1 iso 0 dist 8.92491 12.5963 7.41861 14.685 7.48127 4.00834 numMergedOcc 0
13 mol 76 unq 1 iso 1 dist 7.41861 12.5963 8.92491 4.00834 7.48127 14.685 numMergedOcc 0
14 mol 83 unq 0 iso 0 dist 6.77845 6.07706 5.48555 9.39588 7.2118 12.0034 numMergedOcc 0
15 mol 83 unq 0 iso 1 dist 5.48555 6.07706 6.77845 12.0034 7.2118 9.39588 numMergedOcc 0
16 mol 83 unq 1 iso 0 dist 6.77845 5.8054 5.39805 9.39588 7.2118 6.61275 numMergedOcc 0
17 mol 83 unq 1 iso 1 dist 5.39805 5.8054 6.77845 6.61275 7.2118 9.39588 numMergedOcc 0
18 mol 83 unq 1 iso 0 dist 5.48555 7.55807 5.39805 12.0034 7.2118 6.61275 numMergedOcc 0
19 mol 83 unq 1 iso 1 dist 5.39805 7.55807 5.48555 6.61275 7.2118 12.0034 numMergedOcc 0
20 mol 133 unq 0 iso 0 dist 6.9268 7.57921 8.19166 8.75242 5.79195 6.45333 numMergedOcc 0
21 mol 133 unq 0 iso 1 dist 8.19166 7.57921 6.9268 6.45333 5.79195 8.75242 numMergedOcc 0
22 mol 133 unq 1 iso 0 dist 6.9268 7.57921 8.19166 14.0828 9.2759 11.5586 numMergedOcc 0
23 mol 133 unq 1 iso 1 dist 8.19166 7.57921 6.9268 11.5586 9.2759 14.0828 numMergedOcc 0
24 mol 133 unq 2 iso 0 dist 6.9268 7.57921 8.19166 15.4372 8.76088 14.3705 numMergedOcc 0
25 mol 133 unq 2 iso 1 dist 8.19166 7.57921 6.9268 14.3705 8.76088 15.4372 numMergedOcc 0
26 mol 133 unq 3 iso 0 dist 9.56319 10.5425 9.73038 14.3149 8.8353 17.9749 numMergedOcc 0
27 mol 133 unq 3 iso 1 dist 9.73038 10.5425 9.56319 17.9749 8.8353 14.3149 numMergedOcc 0
28 mol 167 unq 0 iso 0 dist 6.28957 3.81938 7.34285 5.44954 7.20545 9.15105 numMergedOcc 0
29 mol 167 unq 0 iso 1 dist 7.34285 3.81938 6.28957 9.15105 7.20545 5.44954 numMergedOcc 0
30 mol 183 unq 0 iso 0 dist 7.67623 8.32506 7.99897 10.7145 8.29364 4.0252 numMergedOcc 0
31 mol 183 unq 0 iso 1 dist 7.99897 8.32506 7.67623 4.0252 8.29364 10.7145 numMergedOcc 0
32 mol 183 unq 1 iso 0 dist 7.67623 10.199 7.58913 10.7145 8.29364 5.66126 numMergedOcc 0
33 mol 183 unq 1 iso 1 dist 7.58913 10.199 7.67623 5.66126 8.29364 10.7145 numMergedOcc 0
34 mol 183 unq 1 iso 0 dist 7.99897 8.1541 7.58913 4.0252 8.29364 5.66126 numMergedOcc 0
35 mol 183 unq 1 iso 1 dist 7.58913 8.1541 7.99897 5.66126 8.29364 4.0252 numMergedOcc 0
36 mol 205 unq 0 iso 0 dist 8.47833 4.20051 5.47586 11.2438 6.43519 7.47443 numMergedOcc 0
37 mol 205 unq 0 iso 1 dist 5.47586 4.20051 8.47833 7.47443 6.43519 11.2438 numMergedOcc 0
38 mol 217 unq 0 iso 0 dist 9.82478 4.03696 7.80898 7.95492 7.60302 4.10975 numMergedOcc 0
39 mol 217 unq 0 iso 1 dist 7.80898 4.03696 9.82478 4.10975 7.60302 7.95492 numMergedOcc 0
40 mol 239 unq 0 iso 0 dist 4.53228 6.04459 8.54078 10.9464 8.26312 10.4394 numMergedOcc 0
41 mol 239 unq 0 iso 1 dist 8.54078 6.04459 4.53228 10.4394 8.26312 10.9464 numMergedOcc 0
42 mol 239 unq 1 iso 0 dist 4.53228 6.04459 8.54078 6.54316 7.58554 6.2497 numMergedOcc 0
43 mol 239 unq 1 iso 1 dist 8.54078 6.04459 4.53228 6.2497 7.58554 6.54316 numMergedOcc 0
44 mol 258 unq 0 iso 0 dist 8.53084 8.6851 5.9223 4.80942 7.53199 10.1932 numMergedOcc 0
45 mol 258 unq 0 iso 1 dist 5.9223 8.6851 8.53084 10.1932 7.53199 4.80942 numMergedOcc 0
46 mol 258 unq 1 iso 0 dist 8.53084 8.6851 5.9223 11.0749 8.58092 9.26732 numMergedOcc 0
47 mol 258 unq 1 iso 1 dist 5.9223 8.6851 8.53084 9.26732 8.58092 11.0749 numMergedOcc 0
48 mol 258 unq 2 iso 0 dist 8.53084 8.6851 5.9223 5.81432 7.40014 6.72414 numMergedOcc 0
49 mol 258 unq 2 iso 1 dist 5.9223 8.6851 8.53084 6.72414 7.40014 5.81432 numMergedOcc 0
50 mol 265 unq 0 iso 0 dist 8.5774 10.4994 9.94957 7.53666 7.52632 4.47698 numMergedOcc 0
51 mol 265 unq 0 iso 1 dist 9.94957 10.4994 8.5774 4.47698 7.52632 7.53666 numMergedOcc 0
52 mol 265 unq 1 iso 0 dist 8.5774 5.78969 8.01664 7.53666 7.52632 5.62902 numMergedOcc 0
53 mol 265 unq 1 iso 1 dist 8.01664 5.78969 8.5774 5.62902 7.52632 7.53666 numMergedOcc 0
54 mol 265 unq 1 iso 0 dist 9.94957 5.97995 8.01664 4.47698 7.52632 5.62902 numMergedOcc 0
55 mol 265 unq 1 iso 1 dist 8.01664 5.97995 9.94957 5.62902 7.52632 4.47698 numMergedOcc 0
