0 mol 44 unq 0 iso 0 dist 7.85573 6.10468 6.21423 10.1746 9.53901 9.23503 numMergedOcc 0
1 mol 44 unq 0 iso 1 dist 6.21423 6.10468 7.85573 9.23503 9.53901 10.1746 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 9.67403 15.8202 7.28917 16.6923 9.94756 4.16192 numMergedOcc 0
3 mol 61 unq 0 iso 1 dist 7.28917 15.8202 9.67403 4.16192 9.94756 16.6923 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 5.58346 9.96948 9.66744 12.2435 7.84699 16.9811 numMergedOcc 0
5 mol 73 unq 0 iso 1 dist 9.66744 9.96948 5.58346 16.9811 7.84699 12.2435 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 5.58346 9.96948 9.66744 10.362 7.53504 4.5646 numMergedOcc 0
7 mol 73 unq 1 iso 1 dist 9.66744 9.96948 5.58346 4.5646 7.53504 10.362 numMergedOcc 0
8 mol 73 unq 2 iso 0 dist 9.87177 11.1443 6.70925 12.5066 9.94312 4.71695 numMergedOcc 0
9 mol 73 unq 2 iso 1 dist 6.70925 11.1443 9.87177 4.71695 9.94312 12.5066 numMergedOcc 0
10 mol 73 unq 3 iso 0 dist 9.87177 15.9639 8.95756 12.5066 9.94312 7.02797 numMergedOcc 0
11 mol 73 unq 3 iso 1 dist 8.95756 15.9639 9.87177 7.02797 9.94312 12.5066 numMergedOcc 0
12 mol 73 unq 3 iso 0 dist 6.70925 5.04503 8.95756 4.71695 9.94312 7.02797 numMergedOcc 0
13 mol 73 unq 3 iso 1 dist 8.95756 5.04503 6.70925 7.02797 9.94312 4.71695 numMergedOcc 0
14 mol 73 unq 4 iso 0 dist 8.31624 3.85496 5.68726 10.0626 7.23435 9.08204 numMergedOcc 0
15 mol 73 unq 4 iso 1 dist 5.68726 3.85496 8.31624 9.08204 7.23435 10.0626 numMergedOcc 0
16 mol 73 unq 5 iso 0 dist 8.31624 10.1335 7.46882 10.0626 7.23435 6.44802 numMergedOcc 0
17 mol 73 unq 5 iso 1 dist 7.46882 10.1335 8.31624 6.44802 7.23435 10.0626 numMergedOcc 0
18 mol 73 unq 6 iso 0 dist 9.78545 7.44316 9.97998 14.5223 6.95094 11.7502 numMergedOcc 0
19 mol 73 unq 6 iso 1 dist 9.97998 7.44316 9.78545 11.7502 6.95094 14.5223 numMergedOcc 0
20 mol 73 unq 5 iso 0 dist 5.68726 7.44316 7.46882 9.08204 7.23435 6.44802 numMergedOcc 0
21 mol 73 unq 5 iso 1 dist 7.46882 7.44316 5.68726 6.44802 7.23435 9.08204 numMergedOcc 0
22 mol 83 unq 0 iso 0 dist 8.95808 10.3407 8.48766 5.86285 7.78306 11.8236 numMergedOcc 0
23 mol 83 unq 0 iso 1 dist 8.48766 10.3407 8.95808 11.8236 7.78306 5.86285 numMergedOcc 0
24 mol 86 unq 0 iso 0 dist 8.70136 3.91884 7.53441 5.59145 9.64554 5.2597 numMergedOcc 0
25 mol 86 unq 0 iso 1 dist 7.53441 3.91884 8.70136 5.2597 9.64554 5.59145 numMergedOcc 0
26 mol 86 unq 1 iso 0 dist 8.52942 10.7489 7.91639 7.80472 9.29934 8.34552 numMergedOcc 0
27 mol 86 unq 1 iso 1 dist 7.91639 10.7489 8.52942 8.34552 9.29934 7.80472 numMergedOcc 0
28 mol 86 unq 2 iso 0 dist 8.52942 10.7489 7.91639 6.52017 6.7293 4.44978 numMergedOcc 0
29 mol 86 unq 2 iso 1 dist 7.91639 10.7489 8.52942 4.44978 6.7293 6.52017 numMergedOcc 0
30 mol 92 unq 0 iso 0 dist 9.93688 7.35589 9.88184 13.3114 4.85152 13.3931 numMergedOcc 0
31 mol 92 unq 0 iso 1 dist 9.88184 7.35589 9.93688 13.3931 4.85152 13.3114 numMergedOcc 0
32 mol 102 unq 0 iso 0 dist 8.07962 5.31804 7.58908 7.92108 9.61113 4.51114 numMergedOcc 0
33 mol 102 unq 0 iso 1 dist 7.58908 5.31804 8.07962 4.51114 9.61113 7.92108 numMergedOcc 0
34 mol 102 unq 1 iso 0 dist 8.07962 5.31804 7.58908 4.9259 7.73836 9.29865 numMergedOcc 0
35 mol 102 unq 1 iso 1 dist 7.58908 5.31804 8.07962 9.29865 7.73836 4.9259 numMergedOcc 0
36 mol 102 unq 2 iso 0 dist 9.54857 5.31804 9.32058 7.92108 7.59973 4.51114 numMergedOcc 0
37 mol 102 unq 2 iso 1 dist 9.32058 5.31804 9.54857 4.51114 7.59973 7.92108 numMergedOcc 0
38 mol 133 unq 0 iso 0 dist 9.63488 11.1037 9.31907 7.55155 6.89564 10.3667 numMergedOcc 0
39 mol 133 unq 0 iso 1 dist 9.31907 11.1037 9.63488 10.3667 6.89564 7.55155 numMergedOcc 0
40 mol 147 unq 0 iso 0 dist 5.82034 4.38675 6.56854 6.97601 4.95086 5.23184 numMergedOcc 0
41 mol 147 unq 0 iso 1 dist 6.56854 4.38675 5.82034 5.23184 4.95086 6.97601 numMergedOcc 0
42 mol 147 unq 1 iso 0 dist 5.82034 4.38675 6.56854 4.59451 8.39524 4.8897 numMergedOcc 0
43 mol 147 unq 1 iso 1 dist 6.56854 4.38675 5.82034 4.8897 8.39524 4.59451 numMergedOcc 0
44 mol 183 unq 0 iso 0 dist 9.92635 3.75614 7.85507 15.7519 9.81282 15.2905 numMergedOcc 0
45 mol 183 unq 0 iso 1 dist 7.85507 3.75614 9.92635 15.2905 9.81282 15.7519 numMergedOcc 0
46 mol 214 unq 0 iso 0 dist 9.34989 3.93811 9.08095 5.96471 9.86599 9.57515 numMergedOcc 0
47 mol 214 unq 0 iso 1 dist 9.08095 3.93811 9.34989 9.57515 9.86599 5.96471 numMergedOcc 0
48 mol 230 unq 0 iso 0 dist 6.61442 4.44367 7.10283 6.22182 5.00735 5.18766 numMergedOcc 0
49 mol 230 unq 0 iso 1 dist 7.10283 4.44367 6.61442 5.18766 5.00735 6.22182 numMergedOcc 0
50 mol 230 unq 1 iso 0 dist 6.61442 4.44367 7.10283 12.0815 9.27643 9.15352 numMergedOcc 0
51 mol 230 unq 1 iso 1 dist 7.10283 4.44367 6.61442 9.15352 9.27643 12.0815 numMergedOcc 0
52 mol 232 unq 0 iso 0 dist 6.11539 9.60695 9.71082 5.99119 7.33708 14.9027 numMergedOcc 0
53 mol 232 unq 0 iso 1 dist 9.71082 9.60695 6.11539 14.9027 7.33708 5.99119 numMergedOcc 0
54 mol 232 unq 1 iso 0 dist 6.11539 9.60695 9.71082 5.10642 4.46314 6.19573 numMergedOcc 0
55 mol 232 unq 1 iso 1 dist 9.71082 9.60695 6.11539 6.19573 4.46314 5.10642 numMergedOcc 0
56 mol 243 unq 0 iso 0 dist 8.89116 6.73236 8.28364 3.69457 9.60437 9.10714 numMergedOcc 0
57 mol 243 unq 0 iso 1 dist 8.28364 6.73236 8.89116 9.10714 9.60437 3.69457 numMergedOcc 0
58 mol 257 unq 0 iso 0 dist 8.43067 5.6769 7.6127 9.14736 5.65496 4.77705 numMergedOcc 0
59 mol 257 unq 0 iso 1 dist 7.6127 5.6769 8.43067 4.77705 5.65496 9.14736 numMergedOcc 0
60 mol 259 unq 0 iso 0 dist 7.97113 5.25523 8.38479 9.69102 9.2772 4.76806 numMergedOcc 0
61 mol 259 unq 0 iso 1 dist 8.38479 5.25523 7.97113 4.76806 9.2772 9.69102 numMergedOcc 0
62 mol 266 unq 0 iso 0 dist 9.33447 6.47501 3.90274 9.20929 6.35457 4.55986 numMergedOcc 0
63 mol 266 unq 0 iso 1 dist 3.90274 6.47501 9.33447 4.55986 6.35457 9.20929 numMergedOcc 0
64 mol 269 unq 0 iso 0 dist 7.97206 9.73015 7.1068 12.5683 9.91093 10.2496 numMergedOcc 0
65 mol 269 unq 0 iso 1 dist 7.1068 9.73015 7.97206 10.2496 9.91093 12.5683 numMergedOcc 0
