0 mol 24 unq 0 iso 0 dist 6.01284 4.82556 5.78532 6.25108 8.49709 4.15946 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 6.01284 6.25108 8.49709 4.82556 5.78532 4.15946 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 7.96195 9.22115 4.44526 9.15493 9.586 11.342 numMergedOcc 0
3 mol 24 unq 1 iso 1 dist 7.96195 9.15493 9.586 9.22115 4.44526 11.342 numMergedOcc 0
4 mol 41 unq 0 iso 0 dist 7.56029 4.85777 6.21128 4.02147 9.57024 6.79252 numMergedOcc 0
5 mol 41 unq 0 iso 1 dist 7.56029 4.02147 9.57024 4.85777 6.21128 6.79252 numMergedOcc 0
6 mol 93 unq 0 iso 0 dist 7.8435 15.8624 9.19977 14.7862 7.28831 4.37353 numMergedOcc 0
7 mol 93 unq 0 iso 1 dist 7.8435 14.7862 7.28831 15.8624 9.19977 4.37353 numMergedOcc 0
8 mol 93 unq 1 iso 0 dist 7.8435 15.8624 9.19977 9.42916 9.71411 11.3265 numMergedOcc 0
9 mol 93 unq 1 iso 1 dist 7.8435 9.42916 9.71411 15.8624 9.19977 11.3265 numMergedOcc 0
10 mol 93 unq 1 iso 0 dist 7.8435 14.7862 7.28831 9.42916 9.71411 12.5773 numMergedOcc 0
11 mol 93 unq 1 iso 1 dist 7.8435 9.42916 9.71411 14.7862 7.28831 12.5773 numMergedOcc 0
12 mol 98 unq 0 iso 0 dist 6.83746 14.6934 9.25444 11.4207 8.46823 10.2754 numMergedOcc 0
13 mol 98 unq 0 iso 1 dist 6.83746 11.4207 8.46823 14.6934 9.25444 10.2754 numMergedOcc 0
14 mol 98 unq 1 iso 0 dist 8.75597 8.02554 9.84703 11.2092 4.62494 10.2754 numMergedOcc 0
15 mol 98 unq 1 iso 1 dist 8.75597 11.2092 4.62494 8.02554 9.84703 10.2754 numMergedOcc 0
16 mol 98 unq 2 iso 0 dist 9.14707 16.2968 9.25444 8.26478 8.46823 10.2754 numMergedOcc 0
17 mol 98 unq 2 iso 1 dist 9.14707 8.26478 8.46823 16.2968 9.25444 10.2754 numMergedOcc 0
18 mol 98 unq 3 iso 0 dist 9.18457 16.2968 9.84703 8.26478 4.62494 10.2754 numMergedOcc 0
19 mol 98 unq 3 iso 1 dist 9.18457 8.26478 4.62494 16.2968 9.84703 10.2754 numMergedOcc 0
20 mol 112 unq 0 iso 0 dist 7.34602 12.2538 8.06134 8.49846 5.36587 6.44444 numMergedOcc 0
21 mol 112 unq 0 iso 1 dist 7.34602 8.49846 5.36587 12.2538 8.06134 6.44444 numMergedOcc 0
22 mol 143 unq 0 iso 0 dist 8.612 6.60479 5.06564 7.54337 7.5373 4.30566 numMergedOcc 0
23 mol 143 unq 0 iso 1 dist 8.612 7.54337 7.5373 6.60479 5.06564 4.30566 numMergedOcc 0
24 mol 154 unq 0 iso 0 dist 9.82982 13.1849 8.71789 11.4511 5.2693 6.92308 numMergedOcc 0
25 mol 154 unq 0 iso 1 dist 9.82982 11.4511 5.2693 13.1849 8.71789 6.92308 numMergedOcc 0
26 mol 170 unq 0 iso 0 dist 5.13268 7.29587 6.47164 8.73585 9.65126 6.24983 numMergedOcc 0
27 mol 170 unq 0 iso 1 dist 5.13268 8.73585 9.65126 7.29587 6.47164 6.24983 numMergedOcc 0
28 mol 212 unq 0 iso 0 dist 5.50658 12.8059 9.10288 10.7914 6.19798 6.18191 numMergedOcc 0
29 mol 212 unq 0 iso 1 dist 5.50658 10.7914 6.19798 12.8059 9.10288 6.18191 numMergedOcc 0
30 mol 212 unq 1 iso 0 dist 5.50658 12.8059 9.10288 10.2513 7.24895 9.88475 numMergedOcc 0
31 mol 212 unq 1 iso 1 dist 5.50658 10.2513 7.24895 12.8059 9.10288 9.88475 numMergedOcc 0
32 mol 212 unq 1 iso 0 dist 5.50658 10.7914 6.19798 10.2513 7.24895 4.36986 numMergedOcc 0
33 mol 212 unq 1 iso 1 dist 5.50658 10.2513 7.24895 10.7914 6.19798 4.36986 numMergedOcc 0
34 mol 212 unq 2 iso 0 dist 9.10095 7.75271 9.10288 4.01146 6.19798 6.18191 numMergedOcc 0
35 mol 212 unq 2 iso 1 dist 9.10095 4.01146 6.19798 7.75271 9.10288 6.18191 numMergedOcc 0
36 mol 212 unq 3 iso 0 dist 9.10095 7.75271 9.10288 7.17538 7.24895 9.88475 numMergedOcc 0
37 mol 212 unq 3 iso 1 dist 9.10095 7.17538 7.24895 7.75271 9.10288 9.88475 numMergedOcc 0
38 mol 212 unq 3 iso 0 dist 9.10095 4.01146 6.19798 7.17538 7.24895 4.36986 numMergedOcc 0
39 mol 212 unq 3 iso 1 dist 9.10095 7.17538 7.24895 4.01146 6.19798 4.36986 numMergedOcc 0
40 mol 212 unq 4 iso 0 dist 9.22129 4.21442 9.10288 6.69225 6.19798 6.18191 numMergedOcc 0
41 mol 212 unq 4 iso 1 dist 9.22129 6.69225 6.19798 4.21442 9.10288 6.18191 numMergedOcc 0
42 mol 212 unq 5 iso 0 dist 9.22129 4.21442 9.10288 11.0496 7.24895 9.88475 numMergedOcc 0
43 mol 212 unq 5 iso 1 dist 9.22129 11.0496 7.24895 4.21442 9.10288 9.88475 numMergedOcc 0
44 mol 212 unq 5 iso 0 dist 9.22129 6.69225 6.19798 11.0496 7.24895 4.36986 numMergedOcc 0
45 mol 212 unq 5 iso 1 dist 9.22129 11.0496 7.24895 6.69225 6.19798 4.36986 numMergedOcc 0
46 mol 225 unq 0 iso 0 dist 7.8744 8.98957 6.94762 6.59663 7.7086 5.51027 numMergedOcc 0
47 mol 225 unq 0 iso 1 dist 7.8744 6.59663 7.7086 8.98957 6.94762 5.51027 numMergedOcc 0
48 mol 227 unq 0 iso 0 dist 9.43618 12.8075 9.18728 4.59123 8.91971 11.362 numMergedOcc 0
49 mol 227 unq 0 iso 1 dist 9.43618 4.59123 8.91971 12.8075 9.18728 11.362 numMergedOcc 0
50 mol 239 unq 0 iso 0 dist 8.88763 16.7674 8.95511 9.48848 5.85002 13.9726 numMergedOcc 0
51 mol 239 unq 0 iso 1 dist 8.88763 9.48848 5.85002 16.7674 8.95511 13.9726 numMergedOcc 0
52 mol 239 unq 1 iso 0 dist 6.43209 13.3917 8.95511 6.77384 5.85002 13.9726 numMergedOcc 0
53 mol 239 unq 1 iso 1 dist 6.43209 6.77384 5.85002 13.3917 8.95511 13.9726 numMergedOcc 0
54 mol 239 unq 2 iso 0 dist 8.48769 9.38172 8.95511 11.9537 5.85002 13.9726 numMergedOcc 0
55 mol 239 unq 2 iso 1 dist 8.48769 11.9537 5.85002 9.38172 8.95511 13.9726 numMergedOcc 0
56 mol 273 unq 0 iso 0 dist 5.4307 9.76492 5.61969 11.5256 9.0277 4.4844 numMergedOcc 0
57 mol 273 unq 0 iso 1 dist 5.4307 11.5256 9.0277 9.76492 5.61969 4.4844 numMergedOcc 0
58 mol 279 unq 0 iso 0 dist 7.37478 5.89415 8.98854 15.1378 9.42255 13.3172 numMergedOcc 0
59 mol 279 unq 0 iso 1 dist 7.37478 15.1378 9.42255 5.89415 8.98854 13.3172 numMergedOcc 0
