0 mol 26 unq 0 iso 0 dist 8.62527 3.30063 8.36742 9.7522 4.52042 7.98005 15.0931 10.9309 12.5438 8.34347 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 8.62527 8.44515 8.10028 9.7522 4.52042 8.31381 15.0931 10.9309 8.39015 8.34347 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 5.68877 12.1168 7.07773 7.10899 4.30086 9.99939 10.8741 12.4634 19.1023 9.24927 numMergedOcc 0
3 mol 38 unq 0 iso 0 dist 7.88321 3.47751 9.1568 5.73067 6.31521 8.83233 5.79134 12.2513 7.63536 7.50293 numMergedOcc 0
4 mol 38 unq 1 iso 0 dist 7.88321 3.47751 9.1568 5.73067 6.31521 8.83233 5.48241 11.6716 4.04384 9.91611 numMergedOcc 0
5 mol 45 unq 0 iso 0 dist 8.66843 4.46825 8.55903 11.5838 8.60899 8.27463 10.2624 12.2143 5.84319 7.58835 numMergedOcc 0
6 mol 78 unq 0 iso 0 dist 6.04611 7.21901 6.50622 11.351 5.58109 9.85512 9.299 5.57265 5.34874 7.9245 numMergedOcc 0
7 mol 78 unq 1 iso 0 dist 6.04611 5.83035 4.45433 11.351 5.58109 8.97888 9.299 5.57265 3.68023 7.9245 numMergedOcc 0
8 mol 98 unq 0 iso 0 dist 8.18252 3.8493 5.85622 4.50572 11.8887 7.92856 6.88489 12.9146 8.29813 5.08437 numMergedOcc 0
9 mol 98 unq 1 iso 0 dist 8.18252 3.8493 5.85622 4.50572 11.8887 7.92856 9.63267 17.6559 13.2057 6.48948 numMergedOcc 0
10 mol 98 unq 2 iso 0 dist 8.18252 3.8493 5.85622 4.50572 11.8887 7.92856 9.82583 14.9393 12.7473 6.10456 numMergedOcc 0
11 mol 98 unq 3 iso 0 dist 7.55531 3.78499 5.85622 9.27497 11.8887 7.92856 7.40356 12.9146 8.29813 5.08437 numMergedOcc 0
12 mol 98 unq 4 iso 0 dist 7.55531 3.78499 5.85622 9.27497 11.8887 7.92856 14.8125 17.6559 13.2057 6.48948 numMergedOcc 0
13 mol 98 unq 5 iso 0 dist 7.55531 3.78499 5.85622 9.27497 11.8887 7.92856 13.4119 14.9393 12.7473 6.10456 numMergedOcc 0
14 mol 130 unq 0 iso 0 dist 4.69926 8.8615 8.12319 13.5125 10.9365 5.92733 12.3995 13.2314 6.00473 9.28393 numMergedOcc 0
15 mol 131 unq 0 iso 0 dist 7.46875 3.97269 8.44004 7.81337 5.29825 8.80895 11.4498 12.0117 11.6692 6.85062 numMergedOcc 0
16 mol 175 unq 0 iso 0 dist 8.43256 10.3387 7.19751 12.4136 9.72213 9.19156 9.63193 13.5463 13.8965 9.29945 numMergedOcc 0
17 mol 175 unq 1 iso 0 dist 8.14202 7.28678 7.19751 10.1817 9.72213 9.19156 8.97821 13.5463 13.8965 9.29945 numMergedOcc 0
18 mol 181 unq 0 iso 0 dist 9.14877 3.59953 7.39733 9.84952 7.07865 8.29467 4.3158 9.79901 6.13927 7.81386 numMergedOcc 0
19 mol 181 unq 1 iso 0 dist 9.14877 3.59953 7.39733 9.84952 7.07865 8.29467 12.9554 13.7928 13.2274 7.63312 numMergedOcc 0
20 mol 181 unq 2 iso 0 dist 8.18021 3.59953 8.74268 9.84952 13.9526 8.29467 4.3158 11.2136 6.13927 7.81386 numMergedOcc 0
21 mol 181 unq 3 iso 0 dist 8.18021 3.59953 8.74268 9.84952 13.9526 8.29467 12.9554 18.7611 13.2274 7.63312 numMergedOcc 0
22 mol 239 unq 0 iso 0 dist 9.87224 13.7613 7.99963 13.2218 4.77446 4.43499 9.86326 6.83046 4.32238 6.16342 numMergedOcc 0
23 mol 292 unq 0 iso 0 dist 9.2899 12.2 8.27039 12.9938 5.81799 4.49592 18.0757 13.4688 5.99797 8.2734 numMergedOcc 0
