0 mol 37 unq 0 iso 0 dist 8.40835 3.71371 7.86029 8.99589 7.05769 7.77333 numMergedOcc 0
1 mol 53 unq 0 iso 0 dist 7.57227 5.06506 7.72123 10.7958 10.4874 7.08383 numMergedOcc 0
2 mol 55 unq 0 iso 0 dist 4.70371 6.33835 8.57528 8.50163 8.03646 8.61209 numMergedOcc 0
3 mol 55 unq 1 iso 0 dist 4.70371 5.35556 8.24934 8.50163 8.03646 5.7638 numMergedOcc 0
4 mol 55 unq 2 iso 0 dist 4.70371 5.35556 8.24934 12.7473 13.0255 8.55679 numMergedOcc 0
5 mol 61 unq 0 iso 0 dist 5.97418 9.33927 9.12873 15.1998 15.7879 8.65313 numMergedOcc 0
6 mol 103 unq 0 iso 0 dist 8.70106 14.2575 8.10965 13.4003 9.03322 9.42444 numMergedOcc 0
7 mol 103 unq 1 iso 0 dist 8.70106 14.2575 8.10965 13.6456 5.86578 9.64736 numMergedOcc 0
8 mol 104 unq 0 iso 0 dist 6.14066 8.5613 5.46461 11.9167 5.87427 7.45407 numMergedOcc 0
9 mol 123 unq 0 iso 0 dist 7.76707 4.6327 7.99359 10.0196 5.8424 7.25497 numMergedOcc 0
10 mol 123 unq 1 iso 0 dist 7.63425 6.12041 7.99359 9.99172 5.8424 7.25497 numMergedOcc 0
11 mol 131 unq 0 iso 0 dist 8.95717 7.19035 8.89564 10.0078 10.2758 7.03774 numMergedOcc 0
12 mol 132 unq 0 iso 0 dist 7.14447 4.73274 5.52837 10.334 7.71763 8.94096 numMergedOcc 0
13 mol 132 unq 1 iso 0 dist 7.14447 4.73274 5.52837 10.7969 7.53392 7.64207 numMergedOcc 0
14 mol 167 unq 0 iso 0 dist 6.6514 6.25478 7.04009 10.5102 5.44954 9.38623 numMergedOcc 0
15 mol 241 unq 0 iso 0 dist 8.89382 10.9305 8.10031 16.1292 7.72095 9.33399 numMergedOcc 0
16 mol 278 unq 0 iso 0 dist 9.48559 7.47959 9.79758 11.8829 5.1526 8.78758 numMergedOcc 0
17 mol 287 unq 0 iso 0 dist 9.11602 14.2612 8.50508 20.1488 11.7739 7.75212 numMergedOcc 0
18 mol 287 unq 1 iso 0 dist 9.11602 14.2612 8.50508 11.8628 5.27724 7.90634 numMergedOcc 0
19 mol 288 unq 0 iso 0 dist 9.11602 14.2612 8.50508 20.1488 11.7739 7.75212 numMergedOcc 0
20 mol 288 unq 1 iso 0 dist 9.11602 14.2612 8.50508 11.8628 5.27724 7.90634 numMergedOcc 0
21 mol 289 unq 0 iso 0 dist 9.11602 14.2612 8.50508 20.1488 11.7739 7.75212 numMergedOcc 0
22 mol 289 unq 1 iso 0 dist 9.11602 14.2612 8.50508 11.8628 5.27724 7.90634 numMergedOcc 0
