0 mol 26 unq 0 iso 0 dist 9.7522 15.0931 8.34347 3.30063 7.98005 12.5438 8.62527 4.52042 10.9309 8.36742 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 9.7522 15.0931 8.34347 8.44515 8.31381 8.39015 8.62527 4.52042 10.9309 8.10028 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 7.10899 10.8741 9.24927 12.1168 9.99939 19.1023 11.7558 5.3372 13.0456 9.48195 numMergedOcc 0
3 mol 34 unq 1 iso 0 dist 7.10899 10.8741 9.24927 12.1168 9.99939 19.1023 5.68877 4.30086 12.4634 7.07773 numMergedOcc 0
4 mol 38 unq 0 iso 0 dist 5.73067 5.79134 7.50293 3.47751 8.83233 7.63536 7.88321 6.31521 12.2513 9.1568 numMergedOcc 0
5 mol 38 unq 1 iso 0 dist 5.73067 5.48241 9.91611 3.47751 8.83233 4.04384 7.88321 6.31521 11.6716 9.1568 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 8.38387 11.0096 8.80331 4.15592 9.02471 12.6657 11.1748 9.69698 15.7652 7.80117 numMergedOcc 0
7 mol 43 unq 1 iso 0 dist 8.38387 11.0096 8.80331 4.15592 9.02471 12.6657 11.0563 5.90113 9.17086 9.79386 numMergedOcc 0
8 mol 43 unq 2 iso 0 dist 8.38387 11.8286 6.20293 4.15592 9.02471 14.0654 11.1748 9.69698 15.8918 7.80117 numMergedOcc 0
9 mol 43 unq 3 iso 0 dist 8.38387 11.8286 6.20293 4.15592 9.02471 14.0654 11.0563 5.90113 10.615 9.79386 numMergedOcc 0
10 mol 98 unq 0 iso 0 dist 5.9747 4.75138 5.08437 4.48773 7.92856 8.29813 10.1506 11.8887 12.9146 5.85622 numMergedOcc 0
11 mol 98 unq 1 iso 0 dist 5.9747 10.4417 6.48948 4.48773 7.92856 13.2057 10.1506 11.8887 17.6559 5.85622 numMergedOcc 0
12 mol 98 unq 2 iso 0 dist 5.9747 11.3628 6.10456 4.48773 7.92856 12.7473 10.1506 11.8887 14.9393 5.85622 numMergedOcc 0
13 mol 98 unq 3 iso 0 dist 4.50572 6.88489 5.08437 3.8493 7.92856 8.29813 8.18252 11.8887 12.9146 5.85622 numMergedOcc 0
14 mol 98 unq 4 iso 0 dist 4.50572 9.63267 6.48948 3.8493 7.92856 13.2057 8.18252 11.8887 17.6559 5.85622 numMergedOcc 0
15 mol 98 unq 5 iso 0 dist 4.50572 9.82583 6.10456 3.8493 7.92856 12.7473 8.18252 11.8887 14.9393 5.85622 numMergedOcc 0
16 mol 122 unq 0 iso 0 dist 6.78949 7.54208 8.37808 6.80573 4.42563 7.90729 11.2662 7.21898 15.1331 8.08737 numMergedOcc 0
17 mol 122 unq 1 iso 0 dist 9.40018 11.0216 8.37808 12.9961 4.42563 7.90729 14.6999 7.21898 15.1331 8.08737 numMergedOcc 0
18 mol 131 unq 0 iso 0 dist 7.81337 11.4498 6.85062 3.97269 8.80895 11.6692 7.46875 5.29825 12.0117 8.44004 numMergedOcc 0
19 mol 181 unq 0 iso 0 dist 9.84952 4.3158 7.81386 3.59953 8.29467 6.13927 9.14877 7.07865 9.79901 7.39733 numMergedOcc 0
20 mol 181 unq 1 iso 0 dist 9.84952 4.3158 7.81386 3.59953 8.29467 6.13927 8.18021 13.9526 11.2136 8.74268 numMergedOcc 0
21 mol 181 unq 2 iso 0 dist 9.84952 12.9554 7.63312 3.59953 8.29467 13.2274 9.14877 7.07865 13.7928 7.39733 numMergedOcc 0
22 mol 181 unq 3 iso 0 dist 9.84952 12.9554 7.63312 3.59953 8.29467 13.2274 8.18021 13.9526 18.7611 8.74268 numMergedOcc 0
23 mol 239 unq 0 iso 0 dist 6.44212 7.97883 6.16342 3.71488 4.43499 4.32238 10.9473 4.77446 6.83046 7.99963 numMergedOcc 0
24 mol 256 unq 0 iso 0 dist 7.67598 8.99993 8.29103 8.46364 4.80903 5.08421 16.0373 9.94789 12.5339 8.3597 numMergedOcc 0
25 mol 292 unq 0 iso 0 dist 9.20416 5.26243 8.2734 7.30677 4.49592 5.99797 14.5129 5.81799 13.4688 8.27039 numMergedOcc 0
26 mol 292 unq 1 iso 0 dist 7.53641 5.58251 8.2734 5.33412 4.49592 5.99797 10.7581 5.81799 13.4688 8.27039 numMergedOcc 0
