0 mol 7 unq 0 iso 0 dist 9.60361 12.1978 9.67164 4.78012 5.99459 12.2041 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 9.60361 4.78012 5.99459 12.1978 9.67164 12.2041 numMergedOcc 0
2 mol 60 unq 0 iso 0 dist 8.93538 11.9377 7.57295 8.71681 8.4312 5.67502 numMergedOcc 0
3 mol 60 unq 0 iso 1 dist 8.93538 8.71681 8.4312 11.9377 7.57295 5.67502 numMergedOcc 0
4 mol 60 unq 1 iso 0 dist 8.93538 11.9377 7.57295 6.05904 7.48086 6.54743 numMergedOcc 0
5 mol 60 unq 1 iso 1 dist 8.93538 6.05904 7.48086 11.9377 7.57295 6.54743 numMergedOcc 0
6 mol 60 unq 1 iso 0 dist 8.93538 8.71681 8.4312 6.05904 7.48086 5.00018 numMergedOcc 0
7 mol 60 unq 1 iso 1 dist 8.93538 6.05904 7.48086 8.71681 8.4312 5.00018 numMergedOcc 0
8 mol 69 unq 0 iso 0 dist 5.89383 6.50858 5.99857 7.05285 6.9362 8.99811 numMergedOcc 0
9 mol 69 unq 0 iso 1 dist 5.89383 7.05285 6.9362 6.50858 5.99857 8.99811 numMergedOcc 0
10 mol 98 unq 0 iso 0 dist 9.91835 7.57533 9.64383 11.7846 7.54889 13.659 numMergedOcc 0
11 mol 98 unq 0 iso 1 dist 9.91835 11.7846 7.54889 7.57533 9.64383 13.659 numMergedOcc 0
12 mol 98 unq 1 iso 0 dist 9.91835 7.57533 9.64383 15.0999 7.78931 14.591 numMergedOcc 0
13 mol 98 unq 1 iso 1 dist 9.91835 15.0999 7.78931 7.57533 9.64383 14.591 numMergedOcc 0
14 mol 98 unq 1 iso 0 dist 9.91835 11.7846 7.54889 15.0999 7.78931 5.02887 numMergedOcc 0
15 mol 98 unq 1 iso 1 dist 9.91835 15.0999 7.78931 11.7846 7.54889 5.02887 numMergedOcc 0
16 mol 98 unq 2 iso 0 dist 9.29692 10.9992 5.10496 6.16706 5.92242 9.51923 numMergedOcc 0
17 mol 98 unq 2 iso 1 dist 9.29692 6.16706 5.92242 10.9992 5.10496 9.51923 numMergedOcc 0
18 mol 98 unq 3 iso 0 dist 9.29692 10.9992 5.10496 14.2079 5.2571 8.40073 numMergedOcc 0
19 mol 98 unq 3 iso 1 dist 9.29692 14.2079 5.2571 10.9992 5.10496 8.40073 numMergedOcc 0
20 mol 98 unq 4 iso 0 dist 9.29692 10.9992 5.10496 17.8653 8.7497 10.2427 numMergedOcc 0
21 mol 98 unq 4 iso 1 dist 9.29692 17.8653 8.7497 10.9992 5.10496 10.2427 numMergedOcc 0
22 mol 98 unq 3 iso 0 dist 9.29692 6.16706 5.92242 14.2079 5.2571 9.42358 numMergedOcc 0
23 mol 98 unq 3 iso 1 dist 9.29692 14.2079 5.2571 6.16706 5.92242 9.42358 numMergedOcc 0
24 mol 98 unq 4 iso 0 dist 9.29692 6.16706 5.92242 17.8653 8.7497 13.9786 numMergedOcc 0
25 mol 98 unq 4 iso 1 dist 9.29692 17.8653 8.7497 6.16706 5.92242 13.9786 numMergedOcc 0
26 mol 98 unq 4 iso 0 dist 9.29692 14.2079 5.2571 17.8653 8.7497 5.02887 numMergedOcc 0
27 mol 98 unq 4 iso 1 dist 9.29692 17.8653 8.7497 14.2079 5.2571 5.02887 numMergedOcc 0
28 mol 98 unq 5 iso 0 dist 7.6935 9.00814 9.64383 5.65902 7.54889 13.659 numMergedOcc 0
29 mol 98 unq 5 iso 1 dist 7.6935 5.65902 7.54889 9.00814 9.64383 13.659 numMergedOcc 0
30 mol 98 unq 6 iso 0 dist 7.6935 9.00814 9.64383 7.85074 7.78931 14.591 numMergedOcc 0
31 mol 98 unq 6 iso 1 dist 7.6935 7.85074 7.78931 9.00814 9.64383 14.591 numMergedOcc 0
32 mol 98 unq 6 iso 0 dist 7.6935 5.65902 7.54889 7.85074 7.78931 5.02887 numMergedOcc 0
33 mol 98 unq 6 iso 1 dist 7.6935 7.85074 7.78931 5.65902 7.54889 5.02887 numMergedOcc 0
34 mol 98 unq 7 iso 0 dist 8.71558 13.2064 5.10496 10.7799 5.92242 9.51923 numMergedOcc 0
35 mol 98 unq 7 iso 1 dist 8.71558 10.7799 5.92242 13.2064 5.10496 9.51923 numMergedOcc 0
36 mol 98 unq 8 iso 0 dist 8.71558 13.2064 5.10496 5.65902 5.2571 8.40073 numMergedOcc 0
37 mol 98 unq 8 iso 1 dist 8.71558 5.65902 5.2571 13.2064 5.10496 8.40073 numMergedOcc 0
38 mol 98 unq 9 iso 0 dist 8.71558 13.2064 5.10496 7.85074 8.7497 10.2427 numMergedOcc 0
39 mol 98 unq 9 iso 1 dist 8.71558 7.85074 8.7497 13.2064 5.10496 10.2427 numMergedOcc 0
40 mol 98 unq 8 iso 0 dist 8.71558 10.7799 5.92242 5.65902 5.2571 9.42358 numMergedOcc 0
41 mol 98 unq 8 iso 1 dist 8.71558 5.65902 5.2571 10.7799 5.92242 9.42358 numMergedOcc 0
42 mol 98 unq 9 iso 0 dist 8.71558 10.7799 5.92242 7.85074 8.7497 13.9786 numMergedOcc 0
43 mol 98 unq 9 iso 1 dist 8.71558 7.85074 8.7497 10.7799 5.92242 13.9786 numMergedOcc 0
44 mol 98 unq 9 iso 0 dist 8.71558 5.65902 5.2571 7.85074 8.7497 5.02887 numMergedOcc 0
45 mol 98 unq 9 iso 1 dist 8.71558 7.85074 8.7497 5.65902 5.2571 5.02887 numMergedOcc 0
46 mol 105 unq 0 iso 0 dist 9.74162 6.06944 9.16718 10.5797 7.94633 5.68291 numMergedOcc 0
47 mol 105 unq 0 iso 1 dist 9.74162 10.5797 7.94633 6.06944 9.16718 5.68291 numMergedOcc 0
48 mol 112 unq 0 iso 0 dist 9.74956 9.72682 7.7988 14.4313 9.40824 4.97527 numMergedOcc 0
49 mol 112 unq 0 iso 1 dist 9.74956 14.4313 9.40824 9.72682 7.7988 4.97527 numMergedOcc 0
50 mol 112 unq 1 iso 0 dist 9.74956 9.72682 7.7988 11.8409 4.22363 6.34999 numMergedOcc 0
51 mol 112 unq 1 iso 1 dist 9.74956 11.8409 4.22363 9.72682 7.7988 6.34999 numMergedOcc 0
52 mol 112 unq 1 iso 0 dist 9.74956 14.4313 9.40824 11.8409 4.22363 6.72751 numMergedOcc 0
53 mol 112 unq 1 iso 1 dist 9.74956 11.8409 4.22363 14.4313 9.40824 6.72751 numMergedOcc 0
54 mol 112 unq 2 iso 0 dist 6.93938 11.3081 7.7988 14.7352 9.40824 4.97527 numMergedOcc 0
55 mol 112 unq 2 iso 1 dist 6.93938 14.7352 9.40824 11.3081 7.7988 4.97527 numMergedOcc 0
56 mol 112 unq 3 iso 0 dist 6.93938 11.3081 7.7988 10.7105 4.22363 6.34999 numMergedOcc 0
57 mol 112 unq 3 iso 1 dist 6.93938 10.7105 4.22363 11.3081 7.7988 6.34999 numMergedOcc 0
58 mol 112 unq 3 iso 0 dist 6.93938 14.7352 9.40824 10.7105 4.22363 6.72751 numMergedOcc 0
59 mol 112 unq 3 iso 1 dist 6.93938 10.7105 4.22363 14.7352 9.40824 6.72751 numMergedOcc 0
60 mol 117 unq 0 iso 0 dist 8.00954 7.23683 8.19331 9.47326 8.85711 7.21564 numMergedOcc 0
61 mol 117 unq 0 iso 1 dist 8.00954 9.47326 8.85711 7.23683 8.19331 7.21564 numMergedOcc 0
62 mol 119 unq 0 iso 0 dist 9.9292 14.5985 8.95212 6.92096 6.99446 10.9871 numMergedOcc 0
63 mol 119 unq 0 iso 1 dist 9.9292 6.92096 6.99446 14.5985 8.95212 10.9871 numMergedOcc 0
64 mol 119 unq 1 iso 0 dist 9.9292 14.5985 8.95212 11.7253 7.64052 9.93257 numMergedOcc 0
65 mol 119 unq 1 iso 1 dist 9.9292 11.7253 7.64052 14.5985 8.95212 9.93257 numMergedOcc 0
66 mol 119 unq 1 iso 0 dist 9.9292 6.92096 6.99446 11.7253 7.64052 4.85907 numMergedOcc 0
67 mol 119 unq 1 iso 1 dist 9.9292 11.7253 7.64052 6.92096 6.99446 4.85907 numMergedOcc 0
68 mol 167 unq 0 iso 0 dist 9.38297 10.292 6.84752 14.6636 7.86563 6.44246 numMergedOcc 0
69 mol 167 unq 0 iso 1 dist 9.38297 14.6636 7.86563 10.292 6.84752 6.44246 numMergedOcc 0
70 mol 167 unq 1 iso 0 dist 9.38297 10.292 6.84752 5.89138 7.02548 4.70068 numMergedOcc 0
71 mol 167 unq 1 iso 1 dist 9.38297 5.89138 7.02548 10.292 6.84752 4.70068 numMergedOcc 0
72 mol 167 unq 1 iso 0 dist 9.38297 14.6636 7.86563 5.89138 7.02548 10.3445 numMergedOcc 0
73 mol 167 unq 1 iso 1 dist 9.38297 5.89138 7.02548 14.6636 7.86563 10.3445 numMergedOcc 0
74 mol 197 unq 0 iso 0 dist 6.89441 11.4807 9.10817 7.08995 6.86828 5.43601 numMergedOcc 0
75 mol 197 unq 0 iso 1 dist 6.89441 7.08995 6.86828 11.4807 9.10817 5.43601 numMergedOcc 0
76 mol 218 unq 0 iso 0 dist 6.112 10.7827 8.75536 8.20909 7.33709 4.72474 numMergedOcc 0
77 mol 218 unq 0 iso 1 dist 6.112 8.20909 7.33709 10.7827 8.75536 4.72474 numMergedOcc 0
78 mol 218 unq 1 iso 0 dist 6.112 10.7827 8.75536 5.36937 6.67404 6.17651 numMergedOcc 0
79 mol 218 unq 1 iso 1 dist 6.112 5.36937 6.67404 10.7827 8.75536 6.17651 numMergedOcc 0
80 mol 218 unq 1 iso 0 dist 6.112 8.20909 7.33709 5.36937 6.67404 5.61978 numMergedOcc 0
81 mol 218 unq 1 iso 1 dist 6.112 5.36937 6.67404 8.20909 7.33709 5.61978 numMergedOcc 0
82 mol 255 unq 0 iso 0 dist 8.08403 12.7494 6.87333 12.5717 9.86207 8.04381 numMergedOcc 0
83 mol 255 unq 0 iso 1 dist 8.08403 12.5717 9.86207 12.7494 6.87333 8.04381 numMergedOcc 0
84 mol 284 unq 0 iso 0 dist 7.21255 8.18513 9.19921 5.32637 6.41303 5.10183 numMergedOcc 0
85 mol 284 unq 0 iso 1 dist 7.21255 5.32637 6.41303 8.18513 9.19921 5.10183 numMergedOcc 0
86 mol 292 unq 0 iso 0 dist 6.66342 12.1831 9.9182 9.32514 7.30758 10.3106 numMergedOcc 0
87 mol 292 unq 0 iso 1 dist 6.66342 9.32514 7.30758 12.1831 9.9182 10.3106 numMergedOcc 0
88 mol 292 unq 1 iso 0 dist 6.66342 12.1831 9.9182 4.27448 9.10788 12.1693 numMergedOcc 0
89 mol 292 unq 1 iso 1 dist 6.66342 4.27448 9.10788 12.1831 9.9182 12.1693 numMergedOcc 0
90 mol 292 unq 1 iso 0 dist 6.66342 9.32514 7.30758 4.27448 9.10788 12.6861 numMergedOcc 0
91 mol 292 unq 1 iso 1 dist 6.66342 4.27448 9.10788 9.32514 7.30758 12.6861 numMergedOcc 0
