0 mol 6 unq 0 iso 0 dist 8.01937 4.43277 4.81943 10.2062 7.12528 6.18784 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 8.07937 16.0447 8.6112 15.1234 9.63803 5.23054 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 6.42206 4.20567 8.6112 7.56492 9.63803 5.23054 numMergedOcc 0
3 mol 26 unq 2 iso 0 dist 9.66602 9.87081 8.6112 13.5965 9.63803 5.23054 numMergedOcc 0
4 mol 41 unq 0 iso 0 dist 8.6783 12.5664 9.59131 10.9738 8.0072 9.00425 numMergedOcc 0
5 mol 78 unq 0 iso 0 dist 8.61468 14.2261 9.53794 7.18645 7.32064 16.4946 numMergedOcc 0
6 mol 78 unq 1 iso 0 dist 8.61468 14.2261 9.53794 6.85342 5.24136 14.0662 numMergedOcc 0
7 mol 78 unq 2 iso 0 dist 8.61468 14.2261 9.53794 10.4457 6.44687 10.1424 numMergedOcc 0
8 mol 78 unq 3 iso 0 dist 8.61468 14.2261 9.53794 12.613 5.85007 13.583 numMergedOcc 0
9 mol 78 unq 4 iso 0 dist 8.61468 11.1106 9.84346 7.18645 7.32064 13.8703 numMergedOcc 0
10 mol 78 unq 5 iso 0 dist 8.61468 11.1106 9.84346 6.85342 5.24136 13.4395 numMergedOcc 0
11 mol 78 unq 6 iso 0 dist 8.61468 11.1106 9.84346 10.4457 6.44687 14.488 numMergedOcc 0
12 mol 78 unq 7 iso 0 dist 8.61468 11.1106 9.84346 12.613 5.85007 11.9719 numMergedOcc 0
13 mol 78 unq 8 iso 0 dist 6.27186 11.1106 9.46472 7.18645 4.62314 13.8703 numMergedOcc 0
14 mol 78 unq 9 iso 0 dist 6.27186 11.1106 9.46472 6.85342 4.41745 13.4395 numMergedOcc 0
15 mol 78 unq 10 iso 0 dist 6.27186 11.1106 9.46472 12.613 6.35234 11.9719 numMergedOcc 0
16 mol 79 unq 0 iso 0 dist 9.04935 5.87135 7.74131 9.01045 8.59739 3.80156 numMergedOcc 0
17 mol 81 unq 0 iso 0 dist 8.68497 11.4303 5.96486 9.65919 5.73799 3.71228 numMergedOcc 0
18 mol 81 unq 1 iso 0 dist 8.68497 11.4303 5.96486 11.4056 8.38883 7.58448 numMergedOcc 0
19 mol 83 unq 0 iso 0 dist 9.04648 5.07022 7.97999 5.1778 7.84642 3.72263 numMergedOcc 0
20 mol 103 unq 0 iso 0 dist 6.79564 14.4499 9.57953 3.98194 4.49975 11.9103 numMergedOcc 0
21 mol 113 unq 0 iso 0 dist 8.28452 6.68968 9.64281 7.05148 6.12348 7.09333 numMergedOcc 0
22 mol 113 unq 1 iso 0 dist 8.44004 12.1395 9.64281 13.2701 6.12348 7.09333 numMergedOcc 0
23 mol 169 unq 0 iso 0 dist 8.56204 6.80229 9.83308 7.26442 6.27683 7.0638 numMergedOcc 0
24 mol 169 unq 1 iso 0 dist 8.56204 11.5857 8.97159 7.26442 6.27683 13.7432 numMergedOcc 0
25 mol 225 unq 0 iso 0 dist 9.21404 11.3422 8.99496 9.76833 9.27308 3.90755 numMergedOcc 0
26 mol 225 unq 1 iso 0 dist 9.21404 11.3422 8.99496 8.96906 7.25438 11.662 numMergedOcc 0
27 mol 233 unq 0 iso 0 dist 9.49046 13.0673 7.74693 11.9355 8.7831 4.98419 numMergedOcc 0
28 mol 233 unq 1 iso 0 dist 9.49046 13.0673 7.74693 14.1168 9.61071 7.08719 numMergedOcc 0
29 mol 233 unq 2 iso 0 dist 9.49046 13.0673 7.74693 11.3928 7.1229 10.7478 numMergedOcc 0
30 mol 233 unq 3 iso 0 dist 7.24533 8.90679 7.74693 5.47357 8.7831 4.98419 numMergedOcc 0
31 mol 233 unq 4 iso 0 dist 7.24533 8.90679 7.74693 5.47592 9.61071 7.08719 numMergedOcc 0
32 mol 233 unq 5 iso 0 dist 7.24533 8.90679 7.74693 3.67394 7.1229 10.7478 numMergedOcc 0
33 mol 244 unq 0 iso 0 dist 7.00974 8.30584 5.06669 5.9726 9.11416 12.7525 numMergedOcc 0
34 mol 244 unq 1 iso 0 dist 7.00974 4.39303 5.65248 5.9726 9.11416 7.99094 numMergedOcc 0
35 mol 256 unq 0 iso 0 dist 9.36652 13.4771 7.14598 4.80469 7.23526 10.6382 numMergedOcc 0
36 mol 256 unq 1 iso 0 dist 7.54613 9.58759 7.14598 4.07811 7.23526 10.6382 numMergedOcc 0
37 mol 283 unq 0 iso 0 dist 8.28068 5.70683 8.36393 8.21071 7.81241 5.14231 numMergedOcc 0
38 mol 283 unq 1 iso 0 dist 8.28068 5.70683 8.36393 6.36596 9.52445 4.25884 numMergedOcc 0
39 mol 292 unq 0 iso 0 dist 5.76223 11.6897 8.35169 4.0294 5.72473 10.0594 numMergedOcc 0
