0 mol 43 unq 0 iso 0 dist 8.84944 12.0149 7.21995 4.64937 5.51659 7.95541 numMergedOcc 0
1 mol 43 unq 0 iso 1 dist 7.21995 12.0149 8.84944 7.95541 5.51659 4.64937 numMergedOcc 0
2 mol 55 unq 0 iso 0 dist 5.24742 7.02539 9.29433 3.763 8.93644 8.16293 numMergedOcc 0
3 mol 55 unq 0 iso 1 dist 9.29433 7.02539 5.24742 8.16293 8.93644 3.763 numMergedOcc 0
4 mol 63 unq 0 iso 0 dist 6.49343 12.2413 9.78739 8.56126 7.24597 11.5369 numMergedOcc 0
5 mol 63 unq 0 iso 1 dist 9.78739 12.2413 6.49343 11.5369 7.24597 8.56126 numMergedOcc 0
6 mol 64 unq 0 iso 0 dist 5.66803 12.1186 8.85416 10.8544 7.03264 10.8964 numMergedOcc 0
7 mol 64 unq 0 iso 1 dist 8.85416 12.1186 5.66803 10.8964 7.03264 10.8544 numMergedOcc 0
8 mol 87 unq 0 iso 0 dist 5.62336 5.38943 5.63748 5.6513 8.29967 7.41574 numMergedOcc 0
9 mol 87 unq 0 iso 1 dist 5.63748 5.38943 5.62336 7.41574 8.29967 5.6513 numMergedOcc 0
10 mol 87 unq 1 iso 0 dist 5.62336 5.38943 5.63748 6.69874 8.5776 3.66319 numMergedOcc 0
11 mol 87 unq 1 iso 1 dist 5.63748 5.38943 5.62336 3.66319 8.5776 6.69874 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 9.84762 4.76384 5.2184 5.81849 9.53895 5.7998 numMergedOcc 0
13 mol 119 unq 0 iso 1 dist 5.2184 4.76384 9.84762 5.7998 9.53895 5.81849 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 5.79195 12.1681 9.2759 7.72261 6.00667 15.0617 numMergedOcc 0
15 mol 133 unq 0 iso 1 dist 9.2759 12.1681 5.79195 15.0617 6.00667 7.72261 numMergedOcc 0
16 mol 133 unq 1 iso 0 dist 5.79195 12.1681 9.2759 4.27464 8.00919 14.8239 numMergedOcc 0
17 mol 133 unq 1 iso 1 dist 9.2759 12.1681 5.79195 14.8239 8.00919 4.27464 numMergedOcc 0
18 mol 133 unq 2 iso 0 dist 5.79195 9.34083 8.76088 7.72261 6.00667 13.0543 numMergedOcc 0
19 mol 133 unq 2 iso 1 dist 8.76088 9.34083 5.79195 13.0543 6.00667 7.72261 numMergedOcc 0
20 mol 133 unq 3 iso 0 dist 5.79195 9.34083 8.76088 4.27464 8.00919 8.08082 numMergedOcc 0
21 mol 133 unq 3 iso 1 dist 8.76088 9.34083 5.79195 8.08082 8.00919 4.27464 numMergedOcc 0
22 mol 133 unq 2 iso 0 dist 9.2759 11.2107 8.76088 15.0617 6.00667 13.0543 numMergedOcc 0
23 mol 133 unq 2 iso 1 dist 8.76088 11.2107 9.2759 13.0543 6.00667 15.0617 numMergedOcc 0
24 mol 133 unq 3 iso 0 dist 9.2759 11.2107 8.76088 14.8239 8.00919 8.08082 numMergedOcc 0
25 mol 133 unq 3 iso 1 dist 8.76088 11.2107 9.2759 8.08082 8.00919 14.8239 numMergedOcc 0
26 mol 139 unq 0 iso 0 dist 9.70154 9.781 8.78382 10.5769 8.66615 6.5333 numMergedOcc 0
27 mol 139 unq 0 iso 1 dist 8.78382 9.781 9.70154 6.5333 8.66615 10.5769 numMergedOcc 0
28 mol 140 unq 0 iso 0 dist 9.13339 8.73614 7.60956 5.01433 9.8553 5.30674 numMergedOcc 0
29 mol 140 unq 0 iso 1 dist 7.60956 8.73614 9.13339 5.30674 9.8553 5.01433 numMergedOcc 0
30 mol 152 unq 0 iso 0 dist 9.65031 11.2441 8.51844 5.05633 6.89622 6.97725 numMergedOcc 0
31 mol 152 unq 0 iso 1 dist 8.51844 11.2441 9.65031 6.97725 6.89622 5.05633 numMergedOcc 0
32 mol 175 unq 0 iso 0 dist 7.03107 4.6893 7.30813 4.44885 5.25888 4.81365 numMergedOcc 0
33 mol 175 unq 0 iso 1 dist 7.30813 4.6893 7.03107 4.81365 5.25888 4.44885 numMergedOcc 0
34 mol 182 unq 0 iso 0 dist 8.27913 9.61687 8.85111 4.39505 8.63031 11.2827 numMergedOcc 0
35 mol 182 unq 0 iso 1 dist 8.85111 9.61687 8.27913 11.2827 8.63031 4.39505 numMergedOcc 0
36 mol 182 unq 1 iso 0 dist 8.27913 11.427 6.38335 4.39505 8.63031 13.728 numMergedOcc 0
37 mol 182 unq 1 iso 1 dist 6.38335 11.427 8.27913 13.728 8.63031 4.39505 numMergedOcc 0
38 mol 182 unq 1 iso 0 dist 8.85111 9.71185 6.38335 11.2827 8.63031 13.728 numMergedOcc 0
39 mol 182 unq 1 iso 1 dist 6.38335 9.71185 8.85111 13.728 8.63031 11.2827 numMergedOcc 0
40 mol 230 unq 0 iso 0 dist 8.47036 7.8679 9.14989 10.418 9.17138 7.70123 numMergedOcc 0
41 mol 230 unq 0 iso 1 dist 9.14989 7.8679 8.47036 7.70123 9.17138 10.418 numMergedOcc 0
42 mol 250 unq 0 iso 0 dist 8.51703 6.53265 5.07895 11.7643 8.98805 5.64152 numMergedOcc 0
43 mol 250 unq 0 iso 1 dist 5.07895 6.53265 8.51703 5.64152 8.98805 11.7643 numMergedOcc 0
44 mol 258 unq 0 iso 0 dist 7.53199 8.76629 8.58092 5.02914 9.12231 5.52381 numMergedOcc 0
45 mol 258 unq 0 iso 1 dist 8.58092 8.76629 7.53199 5.52381 9.12231 5.02914 numMergedOcc 0
46 mol 258 unq 1 iso 0 dist 7.53199 5.62532 7.40014 5.02914 9.12231 6.0296 numMergedOcc 0
47 mol 258 unq 1 iso 1 dist 7.40014 5.62532 7.53199 6.0296 9.12231 5.02914 numMergedOcc 0
48 mol 258 unq 1 iso 0 dist 8.58092 5.64447 7.40014 5.52381 9.12231 6.0296 numMergedOcc 0
49 mol 258 unq 1 iso 1 dist 7.40014 5.64447 8.58092 6.0296 9.12231 5.52381 numMergedOcc 0
50 mol 266 unq 0 iso 0 dist 6.57444 13.1611 9.39714 9.54337 7.96955 15.1918 numMergedOcc 0
51 mol 266 unq 0 iso 1 dist 9.39714 13.1611 6.57444 15.1918 7.96955 9.54337 numMergedOcc 0
52 mol 266 unq 1 iso 0 dist 7.9555 6.70676 8.8646 14.5953 8.67354 15.7187 numMergedOcc 0
53 mol 266 unq 1 iso 1 dist 8.8646 6.70676 7.9555 15.7187 8.67354 14.5953 numMergedOcc 0
54 mol 282 unq 0 iso 0 dist 6.04225 4.79603 5.00258 6.87677 8.79823 4.44911 numMergedOcc 0
55 mol 282 unq 0 iso 1 dist 5.00258 4.79603 6.04225 4.44911 8.79823 6.87677 numMergedOcc 0
56 mol 282 unq 1 iso 0 dist 6.04225 9.24679 8.22117 6.87677 8.79823 9.11051 numMergedOcc 0
57 mol 282 unq 1 iso 1 dist 8.22117 9.24679 6.04225 9.11051 8.79823 6.87677 numMergedOcc 0
58 mol 282 unq 1 iso 0 dist 5.00258 5.92133 8.22117 4.44911 8.79823 9.11051 numMergedOcc 0
59 mol 282 unq 1 iso 1 dist 8.22117 5.92133 5.00258 9.11051 8.79823 4.44911 numMergedOcc 0
60 mol 293 unq 0 iso 0 dist 4.72125 8.71249 7.41524 9.12667 8.98365 6.64058 numMergedOcc 0
61 mol 293 unq 0 iso 1 dist 7.41524 8.71249 4.72125 6.64058 8.98365 9.12667 numMergedOcc 0
62 mol 293 unq 1 iso 0 dist 4.72125 6.3489 6.42608 9.12667 8.98365 10.2071 numMergedOcc 0
63 mol 293 unq 1 iso 1 dist 6.42608 6.3489 4.72125 10.2071 8.98365 9.12667 numMergedOcc 0
64 mol 293 unq 1 iso 0 dist 7.41524 5.34794 6.42608 6.64058 8.98365 10.2071 numMergedOcc 0
65 mol 293 unq 1 iso 1 dist 6.42608 5.34794 7.41524 10.2071 8.98365 6.64058 numMergedOcc 0
