0 mol 10 unq 0 iso 0 dist 6.74091 11.5708 9.56259 8.12738 8.44792 14.4547 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 6.74091 11.5708 9.56259 4.06691 4.94198 7.66496 numMergedOcc 0
2 mol 10 unq 2 iso 0 dist 6.74091 11.5708 9.56259 10.1984 9.62353 8.50202 numMergedOcc 0
3 mol 17 unq 0 iso 0 dist 5.61893 7.18692 9.43863 4.0384 4.64234 7.07645 numMergedOcc 0
4 mol 17 unq 1 iso 0 dist 5.61893 7.18692 9.43863 4.31247 6.26254 3.94012 numMergedOcc 0
5 mol 26 unq 0 iso 0 dist 8.07937 16.0447 8.6112 13.3615 7.89667 7.07479 numMergedOcc 0
6 mol 26 unq 1 iso 0 dist 6.42206 4.20567 8.6112 3.63999 7.89667 7.07479 numMergedOcc 0
7 mol 26 unq 2 iso 0 dist 9.66602 9.87081 8.6112 13.5789 7.89667 7.07479 numMergedOcc 0
8 mol 78 unq 0 iso 0 dist 8.61468 14.2261 9.53794 13.4907 8.48827 17.4664 numMergedOcc 0
9 mol 78 unq 1 iso 0 dist 8.61468 14.2261 9.53794 10.4533 7.14048 16.6402 numMergedOcc 0
10 mol 78 unq 2 iso 0 dist 8.61468 11.1106 9.84346 13.4907 8.48827 15.9532 numMergedOcc 0
11 mol 78 unq 3 iso 0 dist 8.61468 11.1106 9.84346 10.4533 7.14048 14.6188 numMergedOcc 0
12 mol 78 unq 4 iso 0 dist 6.27186 11.1106 9.46472 13.4907 8.03895 15.9532 numMergedOcc 0
13 mol 78 unq 5 iso 0 dist 6.27186 11.1106 9.46472 10.4533 5.68873 14.6188 numMergedOcc 0
14 mol 79 unq 0 iso 0 dist 9.04935 5.87135 7.74131 8.47393 7.06029 6.82396 numMergedOcc 0
15 mol 81 unq 0 iso 0 dist 9.89076 8.96662 5.96486 5.53904 9.53663 5.82911 numMergedOcc 0
16 mol 113 unq 0 iso 0 dist 8.28452 6.68968 9.64281 3.7042 7.08403 5.96967 numMergedOcc 0
17 mol 113 unq 1 iso 0 dist 8.44004 12.1395 9.64281 12.5507 7.08403 5.96967 numMergedOcc 0
18 mol 133 unq 0 iso 0 dist 5.7232 6.45157 7.12336 4.88335 8.52036 5.56456 numMergedOcc 0
19 mol 141 unq 0 iso 0 dist 8.0302 6.39449 9.70977 3.48408 6.41183 9.17108 numMergedOcc 0
20 mol 141 unq 1 iso 0 dist 6.65051 4.67765 9.70977 5.71838 6.41183 9.17108 numMergedOcc 0
21 mol 141 unq 2 iso 0 dist 9.41519 4.37189 9.70977 10.616 6.41183 9.17108 numMergedOcc 0
22 mol 169 unq 0 iso 0 dist 8.56204 6.80229 9.83308 3.86496 7.33643 5.74428 numMergedOcc 0
23 mol 169 unq 1 iso 0 dist 8.56204 11.5857 8.97159 3.86496 7.33643 12.9566 numMergedOcc 0
24 mol 183 unq 0 iso 0 dist 8.53483 5.27994 8.15747 13.7852 7.16035 13.3248 numMergedOcc 0
25 mol 183 unq 1 iso 0 dist 8.53483 5.27994 8.15747 9.09406 6.2675 9.03854 numMergedOcc 0
26 mol 183 unq 2 iso 0 dist 8.53483 13.4834 5.44125 13.7852 7.16035 3.4049 numMergedOcc 0
27 mol 183 unq 3 iso 0 dist 8.53483 13.4834 5.44125 9.09406 6.2675 7.30851 numMergedOcc 0
28 mol 183 unq 4 iso 0 dist 8.58404 5.50571 8.15747 11.9399 7.16035 13.3248 numMergedOcc 0
29 mol 183 unq 5 iso 0 dist 8.58404 5.50571 8.15747 9.29513 6.2675 9.03854 numMergedOcc 0
30 mol 183 unq 6 iso 0 dist 8.58404 11.5857 5.44125 11.9399 7.16035 3.4049 numMergedOcc 0
31 mol 183 unq 7 iso 0 dist 8.58404 11.5857 5.44125 9.29513 6.2675 7.30851 numMergedOcc 0
32 mol 183 unq 8 iso 0 dist 8.1126 5.50571 8.74903 11.9399 9.61725 13.3248 numMergedOcc 0
33 mol 183 unq 9 iso 0 dist 8.1126 5.50571 8.74903 9.29513 9.52042 9.03854 numMergedOcc 0
34 mol 183 unq 10 iso 0 dist 8.1126 11.5857 7.11505 11.9399 9.61725 3.4049 numMergedOcc 0
35 mol 183 unq 11 iso 0 dist 8.1126 11.5857 7.11505 9.29513 9.52042 7.30851 numMergedOcc 0
36 mol 183 unq 12 iso 0 dist 8.50695 9.60638 8.7143 7.39071 9.01531 3.4049 numMergedOcc 0
37 mol 185 unq 0 iso 0 dist 6.06763 11.8032 9.56016 8.94859 9.1549 8.58853 numMergedOcc 0
38 mol 185 unq 1 iso 0 dist 6.06763 10.8076 7.92501 8.94859 9.1549 6.49781 numMergedOcc 0
39 mol 196 unq 0 iso 0 dist 5.76319 7.42251 7.556 5.97525 6.10505 7.96489 numMergedOcc 0
40 mol 196 unq 1 iso 0 dist 5.30132 10.0417 7.556 4.22321 6.10505 7.96489 numMergedOcc 0
41 mol 196 unq 2 iso 0 dist 8.36119 7.06113 7.556 10.866 6.10505 7.96489 numMergedOcc 0
42 mol 244 unq 0 iso 0 dist 7.00974 8.30584 5.06669 8.83892 5.16859 3.62882 numMergedOcc 0
43 mol 244 unq 1 iso 0 dist 7.00974 8.30584 5.06669 6.49718 4.79207 7.8506 numMergedOcc 0
44 mol 244 unq 2 iso 0 dist 7.00974 4.39303 5.65248 8.83892 5.16859 5.2503 numMergedOcc 0
45 mol 244 unq 3 iso 0 dist 7.00974 4.39303 5.65248 6.49718 4.79207 3.66626 numMergedOcc 0
46 mol 253 unq 0 iso 0 dist 7.02076 3.81162 5.86892 9.06758 8.71119 11.1928 numMergedOcc 0
47 mol 253 unq 1 iso 0 dist 7.02076 3.81162 5.86892 7.93354 6.21648 6.55091 numMergedOcc 0
48 mol 259 unq 0 iso 0 dist 6.83706 11.3955 5.30455 3.94409 6.69951 9.58753 numMergedOcc 0
49 mol 259 unq 1 iso 0 dist 6.83706 9.8442 6.8184 3.94409 6.69951 6.78897 numMergedOcc 0
50 mol 287 unq 0 iso 0 dist 7.90634 12.8871 9.39409 4.12505 6.16127 11.7613 numMergedOcc 0
51 mol 288 unq 0 iso 0 dist 7.90634 12.8871 9.39409 4.12505 6.16127 11.7613 numMergedOcc 0
52 mol 289 unq 0 iso 0 dist 7.90634 12.8871 9.39409 4.12505 6.16127 11.7613 numMergedOcc 0
53 mol 294 unq 0 iso 0 dist 8.88961 3.86056 8.89372 11.7154 7.48987 11.5334 numMergedOcc 0
54 mol 294 unq 1 iso 0 dist 8.88961 3.86056 8.89372 9.30905 8.35637 5.98695 numMergedOcc 0
