0 mol 8 unq 0 iso 0 dist 9.68072 8.80278 15.9008 8.23769 15.8515 5.86575 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 9.68072 8.73998 6.66708 8.23769 15.8515 15.9437 numMergedOcc 0
2 mol 27 unq 0 iso 0 dist 8.67055 9.48375 13.3383 9.62305 17.7179 15.4799 numMergedOcc 0
3 mol 27 unq 1 iso 0 dist 8.67055 6.85127 9.25156 9.62305 17.7179 14.1714 numMergedOcc 0
4 mol 27 unq 2 iso 0 dist 8.67055 8.58169 10.2835 9.62305 17.7179 12.3417 numMergedOcc 0
5 mol 27 unq 3 iso 0 dist 6.25236 9.48375 12.6088 9.62305 13.8252 15.4799 numMergedOcc 0
6 mol 27 unq 4 iso 0 dist 6.25236 6.85127 7.63122 9.62305 13.8252 14.1714 numMergedOcc 0
7 mol 27 unq 5 iso 0 dist 6.25236 8.58169 5.48316 9.62305 13.8252 12.3417 numMergedOcc 0
8 mol 43 unq 0 iso 0 dist 6.38662 8.83248 6.95983 9.467 4.17077 5.13123 numMergedOcc 0
9 mol 53 unq 0 iso 0 dist 8.61714 7.57227 8.86892 7.61429 5.25639 4.94089 numMergedOcc 0
10 mol 95 unq 0 iso 0 dist 7.923 9.07757 6.89158 6.65315 4.41983 5.26193 numMergedOcc 0
11 mol 103 unq 0 iso 0 dist 8.60361 5.72494 11.1242 8.68825 5.1711 11.8761 numMergedOcc 0
12 mol 103 unq 1 iso 0 dist 8.60361 8.70106 15.0192 8.68825 5.1711 13.2825 numMergedOcc 0
13 mol 123 unq 0 iso 0 dist 9.99172 7.63425 5.8424 8.24275 6.08047 7.32307 numMergedOcc 0
14 mol 131 unq 0 iso 0 dist 8.74464 8.95717 16.25 8.78173 14.292 4.43386 numMergedOcc 0
15 mol 148 unq 0 iso 0 dist 7.6395 8.80448 4.35933 6.3102 6.56193 10.3367 numMergedOcc 0
16 mol 148 unq 1 iso 0 dist 8.6499 8.60157 14.6035 9.69869 17.9033 8.92915 numMergedOcc 0
17 mol 148 unq 2 iso 0 dist 8.6499 8.60157 14.6035 4.7785 11.6995 6.43817 numMergedOcc 0
18 mol 148 unq 3 iso 0 dist 8.6499 6.72591 14.778 9.69869 17.9033 5.27089 numMergedOcc 0
19 mol 148 unq 4 iso 0 dist 8.6499 6.72591 14.778 4.7785 11.6995 6.16168 numMergedOcc 0
20 mol 150 unq 0 iso 0 dist 7.67343 8.78855 4.40683 6.25629 6.49484 10.2679 numMergedOcc 0
21 mol 150 unq 1 iso 0 dist 8.75339 8.59359 14.6751 9.67177 17.9666 8.91101 numMergedOcc 0
22 mol 150 unq 2 iso 0 dist 8.75339 8.59359 14.6751 4.79493 11.8035 6.48058 numMergedOcc 0
23 mol 150 unq 3 iso 0 dist 8.75339 6.80192 14.922 9.67177 17.9666 5.24014 numMergedOcc 0
24 mol 150 unq 4 iso 0 dist 8.75339 6.80192 14.922 4.79493 11.8035 6.14967 numMergedOcc 0
25 mol 226 unq 0 iso 0 dist 6.54042 7.6174 9.96567 5.61473 6.25647 7.32691 numMergedOcc 0
26 mol 276 unq 0 iso 0 dist 9.63988 8.0652 15.2084 7.3327 9.81759 14.3341 numMergedOcc 0
27 mol 278 unq 0 iso 0 dist 8.31953 9.48559 11.2255 7.08899 6.45638 7.96744 numMergedOcc 0
28 mol 283 unq 0 iso 0 dist 5.33054 6.89455 7.83784 6.87568 6.40657 4.90822 numMergedOcc 0
29 mol 283 unq 1 iso 0 dist 5.33054 8.821 5.37953 6.87568 6.40657 10.7319 numMergedOcc 0
30 mol 283 unq 2 iso 0 dist 5.33054 9.82337 12.5084 6.87568 6.40657 7.05375 numMergedOcc 0
31 mol 283 unq 3 iso 0 dist 8.56376 8.07626 7.83784 6.50648 6.40657 4.90822 numMergedOcc 0
32 mol 283 unq 4 iso 0 dist 8.56376 6.3448 12.5084 6.50648 6.40657 7.05375 numMergedOcc 0
33 mol 294 unq 0 iso 0 dist 7.43031 9.2924 7.91615 5.29065 4.56552 5.49132 numMergedOcc 0
