0 mol 7 unq 0 iso 0 dist 7.5706 8.43473 6.04832 13.6105 8.48947 5.5683 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 6.28925 5.03847 6.04832 6.88805 8.48947 5.5683 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 8.70159 13.8829 6.04832 13.156 8.48947 5.5683 numMergedOcc 0
3 mol 20 unq 0 iso 0 dist 9.8099 10.0815 6.85224 16.3456 7.93403 10.2902 numMergedOcc 0
4 mol 20 unq 1 iso 0 dist 9.8099 13.457 8.04657 16.3456 7.93403 5.22924 numMergedOcc 0
5 mol 30 unq 0 iso 0 dist 5.61656 6.10646 8.28062 7.87571 7.02425 6.07243 numMergedOcc 0
6 mol 30 unq 1 iso 0 dist 5.61656 7.0381 6.90201 7.87571 7.02425 6.02963 numMergedOcc 0
7 mol 30 unq 2 iso 0 dist 7.22242 6.10646 6.31246 7.87571 7.69972 6.07243 numMergedOcc 0
8 mol 30 unq 3 iso 0 dist 8.67487 5.89021 8.28062 6.24924 7.02425 6.07243 numMergedOcc 0
9 mol 30 unq 4 iso 0 dist 8.67487 5.85054 6.90201 6.24924 7.02425 6.02963 numMergedOcc 0
10 mol 30 unq 5 iso 0 dist 6.95343 10.7121 8.28062 9.62374 7.02425 6.07243 numMergedOcc 0
11 mol 30 unq 6 iso 0 dist 6.95343 4.94076 6.90201 9.62374 7.02425 6.02963 numMergedOcc 0
12 mol 66 unq 0 iso 0 dist 6.49416 5.99928 8.83599 9.13099 9.31667 14.868 numMergedOcc 0
13 mol 157 unq 0 iso 0 dist 7.02823 8.11692 9.53818 9.13808 7.98849 8.97898 numMergedOcc 0
14 mol 157 unq 1 iso 0 dist 7.02823 8.11692 9.53818 5.40634 8.18386 5.80124 numMergedOcc 0
15 mol 157 unq 2 iso 0 dist 7.02823 6.38294 5.14587 9.13808 7.98849 3.89036 numMergedOcc 0
16 mol 157 unq 3 iso 0 dist 7.02823 6.38294 5.14587 5.40634 8.18386 3.80147 numMergedOcc 0
17 mol 157 unq 4 iso 0 dist 7.02823 6.74921 8.93257 9.13808 7.98849 14.7877 numMergedOcc 0
18 mol 157 unq 5 iso 0 dist 7.02823 6.74921 8.93257 5.40634 8.18386 11.9904 numMergedOcc 0
19 mol 157 unq 6 iso 0 dist 7.02823 8.09556 7.71842 9.13808 7.98849 11.1546 numMergedOcc 0
20 mol 157 unq 7 iso 0 dist 7.02823 8.09556 7.71842 5.40634 8.18386 8.57318 numMergedOcc 0
21 mol 157 unq 8 iso 0 dist 8.97404 7.24719 9.53818 10.308 7.98849 8.97898 numMergedOcc 0
22 mol 157 unq 9 iso 0 dist 8.97404 7.24719 9.53818 10.5879 8.18386 5.80124 numMergedOcc 0
23 mol 157 unq 10 iso 0 dist 8.97404 8.0238 5.14587 10.308 7.98849 3.89036 numMergedOcc 0
24 mol 157 unq 11 iso 0 dist 8.97404 8.0238 5.14587 10.5879 8.18386 3.80147 numMergedOcc 0
25 mol 157 unq 12 iso 0 dist 8.97404 15.6542 8.93257 10.308 7.98849 14.7877 numMergedOcc 0
26 mol 157 unq 13 iso 0 dist 8.97404 15.6542 8.93257 10.5879 8.18386 11.9904 numMergedOcc 0
27 mol 157 unq 14 iso 0 dist 8.97404 6.41986 7.71842 10.308 7.98849 11.1546 numMergedOcc 0
28 mol 157 unq 15 iso 0 dist 8.97404 6.41986 7.71842 10.5879 8.18386 8.57318 numMergedOcc 0
29 mol 157 unq 16 iso 0 dist 6.8364 8.0238 6.58984 10.308 7.30209 3.89036 numMergedOcc 0
30 mol 170 unq 0 iso 0 dist 6.36868 9.275 8.20406 6.86812 6.92359 5.04147 numMergedOcc 0
31 mol 175 unq 0 iso 0 dist 6.95549 5.74662 7.41985 8.33878 9.51506 3.90169 numMergedOcc 0
32 mol 206 unq 0 iso 0 dist 6.29592 9.54789 7.17033 12.3129 9.3174 5.95702 numMergedOcc 0
33 mol 234 unq 0 iso 0 dist 7.72403 13.8349 9.38888 5.53885 9.18416 11.1693 numMergedOcc 0
34 mol 234 unq 1 iso 0 dist 6.35438 10.0059 9.38888 3.95629 9.18416 11.1693 numMergedOcc 0
35 mol 234 unq 2 iso 0 dist 9.57132 5.08515 9.38888 12.8018 9.18416 11.1693 numMergedOcc 0
36 mol 239 unq 0 iso 0 dist 5.45139 11.169 6.85567 10.3 9.50048 12.0117 numMergedOcc 0
37 mol 239 unq 1 iso 0 dist 8.10769 6.34419 6.85567 8.7363 9.50048 12.0117 numMergedOcc 0
38 mol 244 unq 0 iso 0 dist 7.27258 5.32505 7.34165 9.08418 6.22884 6.20656 numMergedOcc 0
39 mol 244 unq 1 iso 0 dist 7.27258 5.32505 7.34165 9.51776 8.69671 13.5662 numMergedOcc 0
40 mol 244 unq 2 iso 0 dist 7.27258 5.32505 7.34165 11.589 7.67041 11.4275 numMergedOcc 0
41 mol 244 unq 3 iso 0 dist 7.27258 12.4021 6.61951 9.08418 6.22884 8.30499 numMergedOcc 0
42 mol 244 unq 4 iso 0 dist 7.27258 12.4021 6.61951 9.51776 8.69671 10.3324 numMergedOcc 0
43 mol 244 unq 5 iso 0 dist 7.27258 12.4021 6.61951 11.589 7.67041 4.07316 numMergedOcc 0
44 mol 244 unq 6 iso 0 dist 5.29811 10.5501 7.34165 8.57313 6.22884 6.20656 numMergedOcc 0
45 mol 244 unq 7 iso 0 dist 5.29811 10.5501 7.34165 6.1597 8.69671 13.5662 numMergedOcc 0
46 mol 244 unq 8 iso 0 dist 5.29811 10.5501 7.34165 5.8752 7.67041 11.4275 numMergedOcc 0
47 mol 244 unq 9 iso 0 dist 5.29811 5.17744 6.61951 8.57313 6.22884 8.30499 numMergedOcc 0
48 mol 244 unq 10 iso 0 dist 5.29811 5.17744 6.61951 6.1597 8.69671 10.3324 numMergedOcc 0
49 mol 244 unq 11 iso 0 dist 5.29811 5.17744 6.61951 5.8752 7.67041 4.07316 numMergedOcc 0
50 mol 273 unq 0 iso 0 dist 6.70271 9.25493 8.25037 12.2939 9.31904 3.78984 numMergedOcc 0
51 mol 273 unq 1 iso 0 dist 6.70271 9.25493 8.25037 5.75897 8.93651 13.0403 numMergedOcc 0
52 mol 273 unq 2 iso 0 dist 6.08532 7.42724 8.25037 9.38086 9.31904 3.78984 numMergedOcc 0
53 mol 273 unq 3 iso 0 dist 6.08532 7.42724 8.25037 6.08661 8.93651 13.0403 numMergedOcc 0
