0 mol 25 unq 0 iso 0 dist 8.50987 9.41386 12.6859 6.44262 6.03987 11.3527 9.55844 7.99919 16.0945 4.77954 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 8.50987 4.71964 5.86705 6.44262 6.03987 7.6114 9.55844 7.99919 10.8668 4.77954 numMergedOcc 0
2 mol 25 unq 2 iso 0 dist 8.50987 6.58478 10.7201 6.44262 6.03987 11.9721 9.55844 7.99919 15.0116 4.77954 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 6.47132 5.14123 6.08003 9.86595 7.17396 12.4823 6.13703 6.56212 8.66724 7.31539 numMergedOcc 0
4 mol 59 unq 1 iso 0 dist 6.47132 5.14123 6.08003 10.2137 9.21998 13.2239 6.13703 6.56212 8.66724 11.1607 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 7.36475 5.65006 6.77898 5.66392 6.97941 9.76346 8.41297 9.6952 11.8245 8.66662 numMergedOcc 0
6 mol 117 unq 0 iso 0 dist 8.98848 8.15473 3.55765 14.6144 7.90328 10.4223 10.1153 8.84018 10.2505 7.20875 numMergedOcc 0
7 mol 117 unq 1 iso 0 dist 8.98848 8.15473 3.55765 10.0436 7.83136 8.19331 10.1153 8.84018 10.2505 3.77029 numMergedOcc 0
8 mol 117 unq 2 iso 0 dist 8.98848 8.15473 3.55765 6.81312 7.0603 8.85711 10.1153 8.84018 10.2505 5.21535 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 9.45717 8.25027 4.19723 4.28997 6.82262 7.22643 5.815 9.05342 7.48208 4.88025 numMergedOcc 0
10 mol 220 unq 0 iso 0 dist 5.07968 9.72819 9.82834 4.58603 9.41367 13.1342 4.49605 8.2123 11.2679 4.49451 numMergedOcc 0
11 mol 232 unq 0 iso 0 dist 6.94983 7.13253 5.42461 5.08111 8.27212 10.3021 7.30782 6.71524 11.1014 5.10213 numMergedOcc 0
12 mol 234 unq 0 iso 0 dist 7.17987 4.37501 3.95629 14.7629 9.45496 11.1872 12.4759 7.81215 11.2575 12.4252 numMergedOcc 0
13 mol 234 unq 1 iso 0 dist 7.17987 4.37501 3.95629 13.5847 6.7625 10.5689 12.4759 7.81215 11.2575 5.75498 numMergedOcc 0
14 mol 259 unq 0 iso 0 dist 9.89728 6.93417 11.8896 5.07898 7.46176 7.66153 13.7396 5.85442 16.4118 10.067 numMergedOcc 0
15 mol 259 unq 1 iso 0 dist 9.89728 6.93417 11.8896 5.07898 7.46176 7.66153 15.7491 6.95511 17.0531 11.6988 numMergedOcc 0
16 mol 277 unq 0 iso 0 dist 6.86014 8.20902 3.97543 4.83355 9.7748 12.1398 11.4058 9.35539 13.0595 11.4555 numMergedOcc 0
17 mol 277 unq 1 iso 0 dist 6.86014 8.20902 3.97543 4.83355 9.7748 12.1398 14.6762 8.9682 7.16209 17.6038 numMergedOcc 0
18 mol 277 unq 2 iso 0 dist 6.86014 8.20902 3.97543 4.83355 9.7748 12.1398 11.68 6.92711 4.62936 14.772 numMergedOcc 0
19 mol 277 unq 3 iso 0 dist 6.49176 7.98589 3.97543 14.4976 9.7748 12.1398 11.7592 9.35539 13.0595 11.4555 numMergedOcc 0
20 mol 277 unq 4 iso 0 dist 6.49176 7.98589 3.97543 14.4976 9.7748 12.1398 6.40883 8.9682 7.16209 17.6038 numMergedOcc 0
21 mol 277 unq 5 iso 0 dist 6.49176 7.98589 3.97543 14.4976 9.7748 12.1398 6.79352 6.92711 4.62936 14.772 numMergedOcc 0
22 mol 292 unq 0 iso 0 dist 6.87804 8.51266 15.2885 11.634 8.2734 17.9019 4.77692 7.20674 10.186 7.8414 numMergedOcc 0
23 mol 292 unq 1 iso 0 dist 6.87804 8.51266 15.2885 11.634 8.2734 17.9019 6.38012 8.38121 12.5251 14.179 numMergedOcc 0
