0 mol 78 unq 0 iso 0 dist 6.89185 6.12049 8.65848 4.94803 7.25801 7.95975 numMergedOcc 0
1 mol 78 unq 0 iso 1 dist 6.89185 4.94803 7.25801 6.12049 8.65848 7.95975 numMergedOcc 0
2 mol 78 unq 1 iso 0 dist 7.80757 8.07529 6.85523 12.9164 5.77326 8.2592 numMergedOcc 0
3 mol 78 unq 1 iso 1 dist 7.80757 12.9164 5.77326 8.07529 6.85523 8.2592 numMergedOcc 0
4 mol 78 unq 2 iso 0 dist 5.5849 8.07529 8.65848 6.52163 7.25801 7.95975 numMergedOcc 0
5 mol 78 unq 2 iso 1 dist 5.5849 6.52163 7.25801 8.07529 8.65848 7.95975 numMergedOcc 0
6 mol 78 unq 3 iso 0 dist 9.2835 14.1127 6.85523 7.94748 5.77326 8.2592 numMergedOcc 0
7 mol 78 unq 3 iso 1 dist 9.2835 7.94748 5.77326 14.1127 6.85523 8.2592 numMergedOcc 0
8 mol 78 unq 4 iso 0 dist 5.02591 10.5433 6.85523 7.00354 5.77326 8.2592 numMergedOcc 0
9 mol 78 unq 4 iso 1 dist 5.02591 7.00354 5.77326 10.5433 6.85523 8.2592 numMergedOcc 0
10 mol 78 unq 5 iso 0 dist 8.75605 13.4429 8.65848 10.7757 7.25801 7.95975 numMergedOcc 0
11 mol 78 unq 5 iso 1 dist 8.75605 10.7757 7.25801 13.4429 8.65848 7.95975 numMergedOcc 0
12 mol 89 unq 0 iso 0 dist 8.89514 4.11658 6.53308 10.0938 7.47974 7.04263 numMergedOcc 0
13 mol 89 unq 0 iso 1 dist 8.89514 10.0938 7.47974 4.11658 6.53308 7.04263 numMergedOcc 0
14 mol 89 unq 1 iso 0 dist 9.51842 8.74594 6.53308 5.87704 7.47974 7.04263 numMergedOcc 0
15 mol 89 unq 1 iso 1 dist 9.51842 5.87704 7.47974 8.74594 6.53308 7.04263 numMergedOcc 0
16 mol 100 unq 0 iso 0 dist 5.09688 10.9005 7.82475 9.06539 5.35782 3.5565 numMergedOcc 0
17 mol 100 unq 0 iso 1 dist 5.09688 9.06539 5.35782 10.9005 7.82475 3.5565 numMergedOcc 0
18 mol 100 unq 1 iso 0 dist 9.26343 16.0043 7.82475 14.1132 5.35782 3.5565 numMergedOcc 0
19 mol 100 unq 1 iso 1 dist 9.26343 14.1132 5.35782 16.0043 7.82475 3.5565 numMergedOcc 0
20 mol 112 unq 0 iso 0 dist 7.63658 7.35282 9.05166 8.43423 5.56994 5.11 numMergedOcc 0
21 mol 112 unq 0 iso 1 dist 7.63658 8.43423 5.56994 7.35282 9.05166 5.11 numMergedOcc 0
22 mol 143 unq 0 iso 0 dist 8.72463 7.21648 7.36975 9.42107 5.40637 10.1474 numMergedOcc 0
23 mol 143 unq 0 iso 1 dist 8.72463 9.42107 5.40637 7.21648 7.36975 10.1474 numMergedOcc 0
24 mol 167 unq 0 iso 0 dist 9.73922 6.35125 7.68266 8.80332 6.84752 3.55199 numMergedOcc 0
25 mol 167 unq 0 iso 1 dist 9.73922 8.80332 6.84752 6.35125 7.68266 3.55199 numMergedOcc 0
26 mol 167 unq 1 iso 0 dist 6.64164 5.02648 7.20495 12.0503 9.2289 9.25262 numMergedOcc 0
27 mol 167 unq 1 iso 1 dist 6.64164 12.0503 9.2289 5.02648 7.20495 9.25262 numMergedOcc 0
28 mol 167 unq 2 iso 0 dist 6.64164 5.02648 7.20495 10.1276 7.02548 6.81449 numMergedOcc 0
29 mol 167 unq 2 iso 1 dist 6.64164 10.1276 7.02548 5.02648 7.20495 6.81449 numMergedOcc 0
30 mol 167 unq 2 iso 0 dist 6.64164 12.0503 9.2289 10.1276 7.02548 3.55199 numMergedOcc 0
31 mol 167 unq 2 iso 1 dist 6.64164 10.1276 7.02548 12.0503 9.2289 3.55199 numMergedOcc 0
32 mol 186 unq 0 iso 0 dist 5.63906 7.80781 7.2793 9.18057 9.51091 3.47886 numMergedOcc 0
33 mol 186 unq 0 iso 1 dist 5.63906 9.18057 9.51091 7.80781 7.2793 3.47886 numMergedOcc 0
34 mol 186 unq 1 iso 0 dist 5.63906 7.80781 7.2793 5.12552 7.85184 12.5618 numMergedOcc 0
35 mol 186 unq 1 iso 1 dist 5.63906 5.12552 7.85184 7.80781 7.2793 12.5618 numMergedOcc 0
36 mol 186 unq 1 iso 0 dist 5.63906 9.18057 9.51091 5.12552 7.85184 14.2448 numMergedOcc 0
37 mol 186 unq 1 iso 1 dist 5.63906 5.12552 7.85184 9.18057 9.51091 14.2448 numMergedOcc 0
38 mol 197 unq 0 iso 0 dist 6.22696 13.0947 9.10817 4.65029 9.73548 16.8666 numMergedOcc 0
39 mol 197 unq 0 iso 1 dist 6.22696 4.65029 9.73548 13.0947 9.10817 16.8666 numMergedOcc 0
40 mol 222 unq 0 iso 0 dist 7.14277 5.85969 5.56538 9.34147 7.48954 3.58181 numMergedOcc 0
41 mol 222 unq 0 iso 1 dist 7.14277 9.34147 7.48954 5.85969 5.56538 3.58181 numMergedOcc 0
42 mol 259 unq 0 iso 0 dist 9.47382 11.8307 5.85442 9.41512 6.95511 3.51848 numMergedOcc 0
43 mol 259 unq 0 iso 1 dist 9.47382 9.41512 6.95511 11.8307 5.85442 3.51848 numMergedOcc 0
44 mol 292 unq 0 iso 0 dist 6.8133 11.4338 9.9182 12.3949 8.9221 9.43063 numMergedOcc 0
45 mol 292 unq 0 iso 1 dist 6.8133 12.3949 8.9221 11.4338 9.9182 9.43063 numMergedOcc 0
46 mol 292 unq 1 iso 0 dist 5.69465 4.54051 7.20674 5.92893 8.38121 9.14614 numMergedOcc 0
47 mol 292 unq 1 iso 1 dist 5.69465 5.92893 8.38121 4.54051 7.20674 9.14614 numMergedOcc 0
