0 mol 68 unq 0 iso 0 dist 8.23849 3.89663 8.05514 11.9342 13.0221 8.19932 numMergedOcc 0
1 mol 68 unq 1 iso 0 dist 6.4776 12.6908 8.05514 13.9507 13.0221 8.19932 numMergedOcc 0
2 mol 93 unq 0 iso 0 dist 8.16531 6.38065 7.8435 10.7142 12.5638 6.67678 numMergedOcc 0
3 mol 93 unq 1 iso 0 dist 8.16531 6.38065 7.8435 9.44156 12.4215 7.24956 numMergedOcc 0
4 mol 93 unq 2 iso 0 dist 8.16531 6.38065 7.8435 12.0633 5.99863 8.28591 numMergedOcc 0
5 mol 93 unq 3 iso 0 dist 8.16531 6.38065 7.8435 11.0168 6.15015 9.40687 numMergedOcc 0
6 mol 93 unq 4 iso 0 dist 8.16531 9.63231 5.99269 12.0633 5.99863 5.35008 numMergedOcc 0
7 mol 93 unq 5 iso 0 dist 8.16531 9.63231 5.99269 11.0168 6.15015 8.84576 numMergedOcc 0
8 mol 93 unq 6 iso 0 dist 8.16531 13.1685 5.71763 12.0633 5.99863 8.30921 numMergedOcc 0
9 mol 93 unq 7 iso 0 dist 8.16531 13.1685 5.71763 11.0168 6.15015 7.39732 numMergedOcc 0
10 mol 93 unq 8 iso 0 dist 8.16531 13.1685 5.71763 15.9221 10.9803 9.67744 numMergedOcc 0
11 mol 93 unq 9 iso 0 dist 8.98593 16.5618 7.8435 19.9358 12.5638 6.67678 numMergedOcc 0
12 mol 93 unq 10 iso 0 dist 8.98593 16.5618 7.8435 19.2083 12.4215 7.24956 numMergedOcc 0
13 mol 93 unq 11 iso 0 dist 8.98593 16.5618 7.8435 12.2711 5.99863 8.28591 numMergedOcc 0
14 mol 93 unq 12 iso 0 dist 8.98593 16.5618 7.8435 10.1686 6.15015 9.40687 numMergedOcc 0
15 mol 93 unq 13 iso 0 dist 8.98593 14.6083 5.99269 12.2711 5.99863 5.35008 numMergedOcc 0
16 mol 93 unq 14 iso 0 dist 8.98593 14.6083 5.99269 10.1686 6.15015 8.84576 numMergedOcc 0
17 mol 93 unq 15 iso 0 dist 8.98593 4.18667 5.71763 12.2711 5.99863 8.30921 numMergedOcc 0
18 mol 93 unq 16 iso 0 dist 8.98593 4.18667 5.71763 10.1686 6.15015 7.39732 numMergedOcc 0
19 mol 93 unq 17 iso 0 dist 8.98593 4.18667 5.71763 11.2711 10.9803 9.67744 numMergedOcc 0
20 mol 152 unq 0 iso 0 dist 9.3516 9.91319 7.1069 10.2929 4.78989 8.60651 numMergedOcc 0
21 mol 171 unq 0 iso 0 dist 5.14185 5.35456 8.999 8.82481 11.6193 9.68512 numMergedOcc 0
22 mol 205 unq 0 iso 0 dist 8.7062 9.57152 7.53395 10.1326 6.72925 4.97301 numMergedOcc 0
23 mol 214 unq 0 iso 0 dist 9.20514 4.54444 8.21997 11.8306 6.00226 9.59928 numMergedOcc 0
24 mol 222 unq 0 iso 0 dist 5.98014 11.1253 7.97027 11.75 9.06039 9.79673 numMergedOcc 0
25 mol 222 unq 1 iso 0 dist 5.98014 11.1253 7.97027 9.69145 3.98816 6.39673 numMergedOcc 0
26 mol 222 unq 2 iso 0 dist 5.98014 5.10026 4.9876 9.69145 3.98816 7.80676 numMergedOcc 0
27 mol 225 unq 0 iso 0 dist 8.47289 11.8703 9.57955 15.823 8.38864 8.74463 numMergedOcc 0
28 mol 260 unq 0 iso 0 dist 7.30709 14.0954 9.65775 4.76164 4.05076 9.73217 numMergedOcc 0
29 mol 260 unq 1 iso 0 dist 7.30709 4.58993 9.50634 4.76164 4.05076 7.49606 numMergedOcc 0
30 mol 279 unq 0 iso 0 dist 9.56438 5.75039 5.8304 8.79174 7.93548 4.98693 numMergedOcc 0
