0 mol 38 unq 0 iso 0 dist 8.19077 6.12182 7.50293 9.49676 5.79134 5.73067 6.12374 4.40004 7.26639 5.96514 numMergedOcc 0
1 mol 95 unq 0 iso 0 dist 9.17862 15.821 7.27724 10.4065 5.33325 9.65047 9.77082 3.94537 9.3948 8.55456 numMergedOcc 0
2 mol 95 unq 1 iso 0 dist 9.17862 15.821 7.27724 10.4065 5.33325 9.65047 12.6856 6.12605 9.74607 3.84879 numMergedOcc 0
3 mol 95 unq 2 iso 0 dist 8.27456 9.7565 7.27724 13.1768 5.33325 9.65047 8.0675 3.94537 9.3948 8.55456 numMergedOcc 0
4 mol 95 unq 3 iso 0 dist 8.27456 9.7565 7.27724 13.1768 5.33325 9.65047 14.3138 6.12605 9.74607 3.84879 numMergedOcc 0
5 mol 95 unq 4 iso 0 dist 8.13273 14.1434 8.03644 13.1868 5.69671 9.65047 17.8295 11.3215 9.3948 8.55456 numMergedOcc 0
6 mol 95 unq 5 iso 0 dist 8.13273 14.1434 8.03644 13.1868 5.69671 9.65047 11.0421 5.06946 9.74607 3.84879 numMergedOcc 0
7 mol 115 unq 0 iso 0 dist 5.11612 6.86762 5.83991 8.21127 6.75472 5.02717 6.17349 4.48636 7.69765 5.33827 numMergedOcc 0
8 mol 115 unq 1 iso 0 dist 5.11612 6.86762 5.83991 8.21127 6.75472 5.02717 9.21978 6.63111 9.42082 12.6105 numMergedOcc 0
9 mol 127 unq 0 iso 0 dist 8.09965 11.3174 9.30299 15.4787 8.60326 9.42513 17.0406 12.8087 6.08673 8.71432 numMergedOcc 0
10 mol 129 unq 0 iso 0 dist 7.00798 5.57978 8.54584 14.6058 14.5776 9.28278 8.62413 12.1739 5.51197 9.05571 numMergedOcc 0
11 mol 129 unq 1 iso 0 dist 7.00798 5.57978 8.54584 14.6058 14.5776 9.28278 6.93102 5.63254 8.86944 14.5546 numMergedOcc 0
12 mol 129 unq 2 iso 0 dist 7.00798 5.57978 8.54584 14.6058 14.5776 9.28278 8.4375 8.26896 6.69691 9.63308 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 8.94909 6.80087 8.00618 5.7232 5.37072 5.82404 7.33743 15.0115 8.77023 11.5628 numMergedOcc 0
14 mol 181 unq 0 iso 0 dist 9.50454 11.755 7.63312 18.2681 12.9554 9.84952 12.2912 10.6474 6.64173 7.19461 numMergedOcc 0
15 mol 181 unq 1 iso 0 dist 9.50454 11.755 7.63312 18.2681 12.9554 9.84952 14.976 5.93724 9.01624 9.77747 numMergedOcc 0
16 mol 181 unq 2 iso 0 dist 9.50454 11.755 7.63312 18.2681 12.9554 9.84952 12.82 5.12833 9.55105 10.0615 numMergedOcc 0
17 mol 181 unq 3 iso 0 dist 6.43406 10.9813 7.81386 5.08796 4.3158 9.84952 11.1968 6.8757 6.64173 7.19461 numMergedOcc 0
18 mol 181 unq 4 iso 0 dist 6.43406 10.9813 7.81386 5.08796 4.3158 9.84952 9.45579 5.71898 9.01624 9.77747 numMergedOcc 0
19 mol 181 unq 5 iso 0 dist 6.43406 10.9813 7.81386 5.08796 4.3158 9.84952 11.3781 5.83796 9.55105 10.0615 numMergedOcc 0
20 mol 181 unq 6 iso 0 dist 8.80581 10.209 7.63312 18.2493 12.9554 9.84952 16.4043 10.6474 6.64173 7.19461 numMergedOcc 0
21 mol 181 unq 7 iso 0 dist 8.80581 10.209 7.63312 18.2493 12.9554 9.84952 11.369 5.93724 9.01624 9.77747 numMergedOcc 0
22 mol 181 unq 8 iso 0 dist 8.80581 10.209 7.63312 18.2493 12.9554 9.84952 12.9703 5.12833 9.55105 10.0615 numMergedOcc 0
23 mol 205 unq 0 iso 0 dist 6.04106 12.9245 7.26832 16.5797 10.7091 5.96555 19.2865 13.514 6.52816 6.96644 numMergedOcc 0
24 mol 234 unq 0 iso 0 dist 7.17032 9.25445 9.45496 13.1219 12.0816 7.86368 15.858 12.4252 7.81215 9.8663 numMergedOcc 0
25 mol 259 unq 0 iso 0 dist 5.29682 5.56656 8.13497 8.93002 6.64729 8.06771 13.6039 12.2293 9.46361 9.0675 numMergedOcc 0
26 mol 259 unq 1 iso 0 dist 6.20344 5.56656 7.88519 8.93002 9.79538 8.06771 13.6039 11.6988 9.46361 9.0675 numMergedOcc 0
27 mol 259 unq 2 iso 0 dist 6.20344 10.3156 7.46176 18.2527 15.3806 9.54857 13.5375 10.067 5.85442 5.49348 numMergedOcc 0
28 mol 259 unq 3 iso 0 dist 6.20344 10.3156 7.46176 18.2527 15.3806 9.54857 13.6039 11.6988 6.95511 5.13138 numMergedOcc 0
