0 mol 10 unq 0 iso 0 dist 8.33546 9.59744 8.12738 8.37314 4.06691 8.45469 numMergedOcc 0
1 mol 10 unq 0 iso 1 dist 8.33546 8.37314 4.06691 9.59744 8.12738 8.45469 numMergedOcc 0
2 mol 85 unq 0 iso 0 dist 7.52742 8.15861 7.14242 9.27814 15.6495 16.3912 numMergedOcc 0
3 mol 85 unq 0 iso 1 dist 7.52742 9.27814 15.6495 8.15861 7.14242 16.3912 numMergedOcc 0
4 mol 85 unq 1 iso 0 dist 7.52742 6.56288 3.81285 5.97559 6.17121 2.58673 numMergedOcc 0
5 mol 85 unq 1 iso 1 dist 7.52742 5.97559 6.17121 6.56288 3.81285 2.58673 numMergedOcc 0
6 mol 93 unq 0 iso 0 dist 9.00874 8.23294 8.70619 8.2702 3.89959 9.47916 numMergedOcc 0
7 mol 93 unq 0 iso 1 dist 9.00874 8.2702 3.89959 8.23294 8.70619 9.47916 numMergedOcc 0
8 mol 96 unq 0 iso 0 dist 6.89038 8.95766 4.81353 8.6548 6.0108 5.48001 numMergedOcc 0
9 mol 96 unq 0 iso 1 dist 6.89038 8.6548 6.0108 8.95766 4.81353 5.48001 numMergedOcc 0
10 mol 111 unq 0 iso 0 dist 5.68841 8.51084 3.83194 5.53271 5.56913 8.72808 numMergedOcc 0
11 mol 111 unq 0 iso 1 dist 5.68841 5.53271 5.56913 8.51084 3.83194 8.72808 numMergedOcc 0
12 mol 111 unq 1 iso 0 dist 5.68841 6.33923 7.42165 9.9801 7.93667 6.13173 numMergedOcc 0
13 mol 111 unq 1 iso 1 dist 5.68841 9.9801 7.93667 6.33923 7.42165 6.13173 numMergedOcc 0
14 mol 116 unq 0 iso 0 dist 8.56629 7.65919 4.31929 8.55413 11.987 9.76537 numMergedOcc 0
15 mol 116 unq 0 iso 1 dist 8.56629 8.55413 11.987 7.65919 4.31929 9.76537 numMergedOcc 0
16 mol 116 unq 1 iso 0 dist 7.56091 7.65919 3.39035 8.55413 6.88393 9.76537 numMergedOcc 0
17 mol 116 unq 1 iso 1 dist 7.56091 8.55413 6.88393 7.65919 3.39035 9.76537 numMergedOcc 0
18 mol 176 unq 0 iso 0 dist 6.21825 4.67031 3.71345 6.20326 6.55919 3.00778 numMergedOcc 0
19 mol 176 unq 0 iso 1 dist 6.21825 6.20326 6.55919 4.67031 3.71345 3.00778 numMergedOcc 0
20 mol 176 unq 1 iso 0 dist 6.21825 4.67031 3.71345 8.98043 8.25138 8.45723 numMergedOcc 0
21 mol 176 unq 1 iso 1 dist 6.21825 8.98043 8.25138 4.67031 3.71345 8.45723 numMergedOcc 0
22 mol 176 unq 2 iso 0 dist 6.21825 4.67031 3.71345 6.8243 7.10617 5.3861 numMergedOcc 0
23 mol 176 unq 2 iso 1 dist 6.21825 6.8243 7.10617 4.67031 3.71345 5.3861 numMergedOcc 0
24 mol 176 unq 3 iso 0 dist 6.21825 4.67031 3.71345 8.90797 10.5042 8.21185 numMergedOcc 0
25 mol 176 unq 3 iso 1 dist 6.21825 8.90797 10.5042 4.67031 3.71345 8.21185 numMergedOcc 0
26 mol 176 unq 1 iso 0 dist 6.21825 6.20326 6.55919 8.98043 8.25138 9.21089 numMergedOcc 0
27 mol 176 unq 1 iso 1 dist 6.21825 8.98043 8.25138 6.20326 6.55919 9.21089 numMergedOcc 0
28 mol 176 unq 2 iso 0 dist 6.21825 6.20326 6.55919 6.8243 7.10617 5.04828 numMergedOcc 0
29 mol 176 unq 2 iso 1 dist 6.21825 6.8243 7.10617 6.20326 6.55919 5.04828 numMergedOcc 0
30 mol 176 unq 3 iso 0 dist 6.21825 6.20326 6.55919 8.90797 10.5042 6.79616 numMergedOcc 0
31 mol 176 unq 3 iso 1 dist 6.21825 8.90797 10.5042 6.20326 6.55919 6.79616 numMergedOcc 0
32 mol 176 unq 2 iso 0 dist 6.21825 8.98043 8.25138 6.8243 7.10617 4.47711 numMergedOcc 0
33 mol 176 unq 2 iso 1 dist 6.21825 6.8243 7.10617 8.98043 8.25138 4.47711 numMergedOcc 0
34 mol 176 unq 3 iso 0 dist 6.21825 8.98043 8.25138 8.90797 10.5042 6.34877 numMergedOcc 0
35 mol 176 unq 3 iso 1 dist 6.21825 8.90797 10.5042 8.98043 8.25138 6.34877 numMergedOcc 0
36 mol 176 unq 3 iso 0 dist 6.21825 6.8243 7.10617 8.90797 10.5042 3.47516 numMergedOcc 0
37 mol 176 unq 3 iso 1 dist 6.21825 8.90797 10.5042 6.8243 7.10617 3.47516 numMergedOcc 0
38 mol 176 unq 4 iso 0 dist 8.95504 8.00223 12.7977 9.60695 12.1252 4.75543 numMergedOcc 0
39 mol 176 unq 4 iso 1 dist 8.95504 9.60695 12.1252 8.00223 12.7977 4.75543 numMergedOcc 0
40 mol 239 unq 0 iso 0 dist 9.64578 7.45508 9.1722 5.79883 11.457 12.7924 numMergedOcc 0
41 mol 239 unq 0 iso 1 dist 9.64578 5.79883 11.457 7.45508 9.1722 12.7924 numMergedOcc 0
42 mol 239 unq 1 iso 0 dist 7.02833 7.45508 11.2097 5.79883 6.10489 12.7924 numMergedOcc 0
43 mol 239 unq 1 iso 1 dist 7.02833 5.79883 6.10489 7.45508 11.2097 12.7924 numMergedOcc 0
44 mol 287 unq 0 iso 0 dist 5.06731 8.15636 6.00938 7.86292 4.88961 6.88819 numMergedOcc 0
45 mol 287 unq 0 iso 1 dist 5.06731 7.86292 4.88961 8.15636 6.00938 6.88819 numMergedOcc 0
46 mol 288 unq 0 iso 0 dist 5.06731 8.15636 6.00938 7.86292 4.88961 6.88819 numMergedOcc 0
47 mol 288 unq 0 iso 1 dist 5.06731 7.86292 4.88961 8.15636 6.00938 6.88819 numMergedOcc 0
48 mol 289 unq 0 iso 0 dist 5.06731 8.15636 6.00938 7.86292 4.88961 6.88819 numMergedOcc 0
49 mol 289 unq 0 iso 1 dist 5.06731 7.86292 4.88961 8.15636 6.00938 6.88819 numMergedOcc 0
50 mol 294 unq 0 iso 0 dist 8.63523 8.65363 14.0395 6.44588 9.96893 4.59062 numMergedOcc 0
51 mol 294 unq 0 iso 1 dist 8.63523 6.44588 9.96893 8.65363 14.0395 4.59062 numMergedOcc 0
