0 mol 58 unq 0 iso 0 dist 5.40287 6.82279 8.66539 5.52874 5.38524 5.79773 numMergedOcc 0
1 mol 58 unq 0 iso 1 dist 5.40287 5.52874 5.38524 6.82279 8.66539 5.79773 numMergedOcc 0
2 mol 58 unq 1 iso 0 dist 5.40287 6.82279 8.66539 9.02602 8.69057 10.8779 numMergedOcc 0
3 mol 58 unq 1 iso 1 dist 5.40287 9.02602 8.69057 6.82279 8.66539 10.8779 numMergedOcc 0
4 mol 58 unq 1 iso 0 dist 5.40287 5.52874 5.38524 9.02602 8.69057 5.47421 numMergedOcc 0
5 mol 58 unq 1 iso 1 dist 5.40287 9.02602 8.69057 5.52874 5.38524 5.47421 numMergedOcc 0
6 mol 62 unq 0 iso 0 dist 5.6359 11.4221 9.69044 4.05764 6.9103 8.62608 numMergedOcc 0
7 mol 62 unq 0 iso 1 dist 5.6359 4.05764 6.9103 11.4221 9.69044 8.62608 numMergedOcc 0
8 mol 68 unq 0 iso 0 dist 8.76815 11.0447 9.8703 5.4779 7.39665 14.224 numMergedOcc 0
9 mol 68 unq 0 iso 1 dist 8.76815 5.4779 7.39665 11.0447 9.8703 14.224 numMergedOcc 0
10 mol 88 unq 0 iso 0 dist 9.54537 14.437 7.51139 4.31214 7.80898 12.1547 numMergedOcc 0
11 mol 88 unq 0 iso 1 dist 9.54537 4.31214 7.80898 14.437 7.51139 12.1547 numMergedOcc 0
12 mol 89 unq 0 iso 0 dist 8.54514 5.73599 8.40422 10.3618 8.40425 5.52198 numMergedOcc 0
13 mol 89 unq 0 iso 1 dist 8.54514 10.3618 8.40425 5.73599 8.40422 5.52198 numMergedOcc 0
14 mol 89 unq 1 iso 0 dist 8.54514 5.73599 8.40422 12.1722 7.47974 9.1532 numMergedOcc 0
15 mol 89 unq 1 iso 1 dist 8.54514 12.1722 7.47974 5.73599 8.40422 9.1532 numMergedOcc 0
16 mol 89 unq 2 iso 0 dist 8.54514 5.73599 8.40422 7.8379 5.51831 6.50464 numMergedOcc 0
17 mol 89 unq 2 iso 1 dist 8.54514 7.8379 5.51831 5.73599 8.40422 6.50464 numMergedOcc 0
18 mol 89 unq 3 iso 0 dist 8.54514 5.73599 8.40422 10.8901 9.65149 6.54355 numMergedOcc 0
19 mol 89 unq 3 iso 1 dist 8.54514 10.8901 9.65149 5.73599 8.40422 6.54355 numMergedOcc 0
20 mol 89 unq 1 iso 0 dist 8.54514 10.3618 8.40425 12.1722 7.47974 4.8812 numMergedOcc 0
21 mol 89 unq 1 iso 1 dist 8.54514 12.1722 7.47974 10.3618 8.40425 4.8812 numMergedOcc 0
22 mol 89 unq 2 iso 0 dist 8.54514 10.3618 8.40425 7.8379 5.51831 8.46794 numMergedOcc 0
23 mol 89 unq 2 iso 1 dist 8.54514 7.8379 5.51831 10.3618 8.40425 8.46794 numMergedOcc 0
24 mol 89 unq 3 iso 0 dist 8.54514 10.3618 8.40425 10.8901 9.65149 7.1456 numMergedOcc 0
25 mol 89 unq 3 iso 1 dist 8.54514 10.8901 9.65149 10.3618 8.40425 7.1456 numMergedOcc 0
26 mol 89 unq 2 iso 0 dist 8.54514 12.1722 7.47974 7.8379 5.51831 10.4087 numMergedOcc 0
27 mol 89 unq 2 iso 1 dist 8.54514 7.8379 5.51831 12.1722 7.47974 10.4087 numMergedOcc 0
28 mol 89 unq 3 iso 0 dist 8.54514 12.1722 7.47974 10.8901 9.65149 10.8948 numMergedOcc 0
29 mol 89 unq 3 iso 1 dist 8.54514 10.8901 9.65149 12.1722 7.47974 10.8948 numMergedOcc 0
30 mol 89 unq 3 iso 0 dist 8.54514 7.8379 5.51831 10.8901 9.65149 5.45013 numMergedOcc 0
31 mol 89 unq 3 iso 1 dist 8.54514 10.8901 9.65149 7.8379 5.51831 5.45013 numMergedOcc 0
32 mol 105 unq 0 iso 0 dist 7.85265 9.7247 9.16718 6.37983 7.94633 5.68291 numMergedOcc 0
33 mol 105 unq 0 iso 1 dist 7.85265 6.37983 7.94633 9.7247 9.16718 5.68291 numMergedOcc 0
34 mol 109 unq 0 iso 0 dist 5.15951 7.41993 7.86666 13.345 9.77497 17.2949 numMergedOcc 0
35 mol 109 unq 0 iso 1 dist 5.15951 13.345 9.77497 7.41993 7.86666 17.2949 numMergedOcc 0
36 mol 112 unq 0 iso 0 dist 8.59002 10.2526 7.7988 12.1073 9.40824 4.97527 numMergedOcc 0
37 mol 112 unq 0 iso 1 dist 8.59002 12.1073 9.40824 10.2526 7.7988 4.97527 numMergedOcc 0
38 mol 112 unq 1 iso 0 dist 8.59002 10.2526 7.7988 6.7184 4.22363 6.34999 numMergedOcc 0
39 mol 112 unq 1 iso 1 dist 8.59002 6.7184 4.22363 10.2526 7.7988 6.34999 numMergedOcc 0
40 mol 112 unq 1 iso 0 dist 8.59002 12.1073 9.40824 6.7184 4.22363 6.72751 numMergedOcc 0
41 mol 112 unq 1 iso 1 dist 8.59002 6.7184 4.22363 12.1073 9.40824 6.72751 numMergedOcc 0
42 mol 117 unq 0 iso 0 dist 8.15473 10.0436 8.19331 6.81312 8.85711 7.21564 numMergedOcc 0
43 mol 117 unq 0 iso 1 dist 8.15473 6.81312 8.85711 10.0436 8.19331 7.21564 numMergedOcc 0
44 mol 142 unq 0 iso 0 dist 9.64785 12.444 7.81207 7.18287 6.14151 5.32922 numMergedOcc 0
45 mol 142 unq 0 iso 1 dist 9.64785 7.18287 6.14151 12.444 7.81207 5.32922 numMergedOcc 0
46 mol 152 unq 0 iso 0 dist 9.77567 5.29694 6.59889 12.1481 6.70693 7.65448 numMergedOcc 0
47 mol 152 unq 0 iso 1 dist 9.77567 12.1481 6.70693 5.29694 6.59889 7.65448 numMergedOcc 0
48 mol 181 unq 0 iso 0 dist 9.24772 7.89844 9.76212 5.10258 8.59874 6.01247 numMergedOcc 0
49 mol 181 unq 0 iso 1 dist 9.24772 5.10258 8.59874 7.89844 9.76212 6.01247 numMergedOcc 0
50 mol 186 unq 0 iso 0 dist 5.09756 5.01462 8.90571 6.15341 6.61112 7.09479 numMergedOcc 0
51 mol 186 unq 0 iso 1 dist 5.09756 6.15341 6.61112 5.01462 8.90571 7.09479 numMergedOcc 0
52 mol 205 unq 0 iso 0 dist 6.3407 8.9058 7.21137 10.4602 8.4844 10.817 numMergedOcc 0
53 mol 205 unq 0 iso 1 dist 6.3407 10.4602 8.4844 8.9058 7.21137 10.817 numMergedOcc 0
54 mol 224 unq 0 iso 0 dist 8.55819 5.30529 6.99769 10.5504 8.79428 6.77699 numMergedOcc 0
55 mol 224 unq 0 iso 1 dist 8.55819 10.5504 8.79428 5.30529 6.99769 6.77699 numMergedOcc 0
56 mol 224 unq 1 iso 0 dist 8.55819 5.30529 6.99769 12.7033 6.8692 11.328 numMergedOcc 0
57 mol 224 unq 1 iso 1 dist 8.55819 12.7033 6.8692 5.30529 6.99769 11.328 numMergedOcc 0
58 mol 224 unq 1 iso 0 dist 8.55819 10.5504 8.79428 12.7033 6.8692 8.49799 numMergedOcc 0
59 mol 224 unq 1 iso 1 dist 8.55819 12.7033 6.8692 10.5504 8.79428 8.49799 numMergedOcc 0
60 mol 225 unq 0 iso 0 dist 6.20862 4.72643 8.1945 9.6289 6.50998 13.3965 numMergedOcc 0
61 mol 225 unq 0 iso 1 dist 6.20862 9.6289 6.50998 4.72643 8.1945 13.3965 numMergedOcc 0
62 mol 225 unq 1 iso 0 dist 7.27888 15.1562 8.1945 5.92569 6.50998 13.3965 numMergedOcc 0
63 mol 225 unq 1 iso 1 dist 7.27888 5.92569 6.50998 15.1562 8.1945 13.3965 numMergedOcc 0
64 mol 229 unq 0 iso 0 dist 9.69367 12.61 7.27993 12.7466 9.51168 5.1556 numMergedOcc 0
65 mol 229 unq 0 iso 1 dist 9.69367 12.7466 9.51168 12.61 7.27993 5.1556 numMergedOcc 0
66 mol 229 unq 1 iso 0 dist 9.69367 12.61 7.27993 6.23286 6.95201 7.0298 numMergedOcc 0
67 mol 229 unq 1 iso 1 dist 9.69367 6.23286 6.95201 12.61 7.27993 7.0298 numMergedOcc 0
68 mol 229 unq 1 iso 0 dist 9.69367 12.7466 9.51168 6.23286 6.95201 6.54885 numMergedOcc 0
69 mol 229 unq 1 iso 1 dist 9.69367 6.23286 6.95201 12.7466 9.51168 6.54885 numMergedOcc 0
70 mol 259 unq 0 iso 0 dist 9.93282 5.69584 5.85442 15.3167 6.9899 9.98105 numMergedOcc 0
71 mol 259 unq 0 iso 1 dist 9.93282 15.3167 6.9899 5.69584 5.85442 9.98105 numMergedOcc 0
72 mol 259 unq 1 iso 0 dist 8.90555 6.00315 9.46361 5.69584 6.95511 6.96053 numMergedOcc 0
73 mol 259 unq 1 iso 1 dist 8.90555 5.69584 6.95511 6.00315 9.46361 6.96053 numMergedOcc 0
74 mol 259 unq 2 iso 0 dist 6.93417 9.13047 9.07743 5.07898 7.66153 4.69778 numMergedOcc 0
75 mol 259 unq 2 iso 1 dist 6.93417 5.07898 7.66153 9.13047 9.07743 4.69778 numMergedOcc 0
