0 mol 0 unq 0 iso 0 dist 9.5614 9.40697 6.94181 18.3338 14.0556 9.94618 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 5.55156 7.16694 6.94181 13.7584 14.0556 9.94618 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 6.22805 5.85668 7.15434 8.0166 5.70161 6.0323 numMergedOcc 0
3 mol 16 unq 0 iso 0 dist 9.04834 9.19152 6.28033 14.0448 5.59769 7.72142 numMergedOcc 0
4 mol 30 unq 0 iso 0 dist 8.37503 6.78528 6.83481 7.83595 6.40527 9.72314 numMergedOcc 0
5 mol 56 unq 0 iso 0 dist 8.04926 5.81148 8.40931 11.2096 7.40093 9.49909 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 4.24428 6.13631 6.10011 5.39171 8.04817 7.84699 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 4.24428 6.13631 6.10011 9.27355 9.76331 8.40844 numMergedOcc 0
8 mol 73 unq 2 iso 0 dist 4.24428 6.13631 6.10011 8.60363 10.4402 6.99156 numMergedOcc 0
9 mol 73 unq 3 iso 0 dist 6.30194 6.13631 8.124 5.39171 5.2774 7.84699 numMergedOcc 0
10 mol 73 unq 4 iso 0 dist 6.30194 6.13631 8.124 9.27355 5.44275 8.40844 numMergedOcc 0
11 mol 73 unq 5 iso 0 dist 6.30194 6.13631 8.124 8.60363 8.0624 6.99156 numMergedOcc 0
12 mol 75 unq 0 iso 0 dist 7.16583 9.00615 8.2147 11.8835 5.4217 8.47302 numMergedOcc 0
13 mol 75 unq 1 iso 0 dist 7.118 10.7293 8.2147 11.5758 5.4217 8.47302 numMergedOcc 0
14 mol 109 unq 0 iso 0 dist 8.46734 9.59741 7.51061 17.4496 10.6667 9.2046 numMergedOcc 0
15 mol 124 unq 0 iso 0 dist 7.23052 9.2094 6.35314 10.619 5.31501 5.61764 numMergedOcc 0
16 mol 140 unq 0 iso 0 dist 9.41832 12.2179 9.68229 21.5261 16.7631 9.74209 numMergedOcc 0
17 mol 140 unq 1 iso 0 dist 8.28732 5.90456 9.89896 12.7279 12.4171 9.74209 numMergedOcc 0
18 mol 140 unq 2 iso 0 dist 8.36882 7.32877 7.83582 15.6696 12.1389 9.74209 numMergedOcc 0
19 mol 212 unq 0 iso 0 dist 7.87125 4.78007 9.47932 9.26387 9.7586 6.41916 numMergedOcc 0
20 mol 220 unq 0 iso 0 dist 8.9077 11.9931 6.21273 7.86207 4.90657 8.58709 numMergedOcc 0
21 mol 230 unq 0 iso 0 dist 8.33847 11.8106 5.62804 13.8632 7.07028 5.00735 numMergedOcc 0
22 mol 230 unq 1 iso 0 dist 8.33847 11.8106 5.62804 13.4503 5.26217 6.73755 numMergedOcc 0
23 mol 230 unq 2 iso 0 dist 9.12305 11.2815 5.62804 15.0878 7.07028 5.00735 numMergedOcc 0
24 mol 230 unq 3 iso 0 dist 9.12305 11.2815 5.62804 14.1175 5.26217 6.73755 numMergedOcc 0
25 mol 230 unq 4 iso 0 dist 9.30906 11.2815 9.3619 15.0878 11.491 5.00735 numMergedOcc 0
26 mol 230 unq 5 iso 0 dist 9.30906 11.2815 9.3619 14.1175 7.46522 6.73755 numMergedOcc 0
27 mol 239 unq 0 iso 0 dist 9.27989 9.44182 6.83046 10.2234 5.29737 4.21935 numMergedOcc 0
28 mol 256 unq 0 iso 0 dist 8.43264 7.68659 5.98967 14.8948 9.07441 8.11884 numMergedOcc 0
29 mol 258 unq 0 iso 0 dist 9.67877 16.1624 8.40766 17.1495 9.45618 8.34471 numMergedOcc 0
30 mol 258 unq 1 iso 0 dist 7.9357 7.88062 8.21585 12.9422 9.22664 6.59521 numMergedOcc 0
31 mol 258 unq 2 iso 0 dist 8.81059 5.79358 8.21585 7.70189 9.22664 6.59521 numMergedOcc 0
32 mol 261 unq 0 iso 0 dist 7.15785 5.72823 9.95681 6.41477 4.50761 9.56414 numMergedOcc 0
33 mol 261 unq 1 iso 0 dist 9.43169 5.72823 9.05762 6.41477 8.80293 9.56414 numMergedOcc 0
34 mol 265 unq 0 iso 0 dist 7.54805 5.46523 5.3051 4.03921 5.11366 5.10595 numMergedOcc 0
35 mol 274 unq 0 iso 0 dist 6.21831 6.33183 8.78883 10.3381 8.19222 8.99974 numMergedOcc 0
36 mol 274 unq 1 iso 0 dist 6.21831 6.33183 8.78883 7.21004 4.97216 5.68643 numMergedOcc 0
37 mol 274 unq 2 iso 0 dist 6.21831 6.33183 8.78883 12.6573 10.2686 8.36043 numMergedOcc 0
38 mol 274 unq 3 iso 0 dist 9.81087 9.24343 5.82876 11.8821 12.0757 8.26695 numMergedOcc 0
39 mol 274 unq 4 iso 0 dist 9.81087 9.24343 5.82876 6.12202 7.96313 5.59151 numMergedOcc 0
40 mol 274 unq 5 iso 0 dist 9.81087 9.24343 5.82876 12.988 7.97998 8.17922 numMergedOcc 0
41 mol 274 unq 6 iso 0 dist 8.3291 9.34663 8.78883 13.5853 8.19222 8.99974 numMergedOcc 0
42 mol 274 unq 7 iso 0 dist 8.3291 9.34663 8.78883 8.75703 4.97216 5.68643 numMergedOcc 0
43 mol 274 unq 8 iso 0 dist 8.3291 9.34663 8.78883 10.0237 10.2686 8.36043 numMergedOcc 0
44 mol 279 unq 0 iso 0 dist 6.47376 4.77763 8.68797 5.78017 5.34376 8.36655 numMergedOcc 0
45 mol 279 unq 1 iso 0 dist 9.6147 5.44699 8.68797 6.12742 5.34376 8.36655 numMergedOcc 0
46 mol 280 unq 0 iso 0 dist 8.27417 10.5216 8.80588 12.9293 14.1091 9.047 numMergedOcc 0
47 mol 280 unq 1 iso 0 dist 8.27417 10.5216 8.80588 7.3304 4.95798 9.9227 numMergedOcc 0
