0 mol 8 unq 0 iso 0 dist 7.03958 6.56356 4.1204 12.4076 8.53529 12.536 10.9495 7.18019 9.01112 8.4069 numMergedOcc 0
1 mol 8 unq 0 iso 1 dist 7.03958 6.56356 4.1204 10.9495 7.18019 9.01112 12.4076 8.53529 12.536 8.4069 numMergedOcc 0
2 mol 8 unq 1 iso 0 dist 7.03958 6.56356 4.1204 12.4076 8.53529 12.536 8.09332 8.44009 7.62333 12.9016 numMergedOcc 0
3 mol 8 unq 1 iso 1 dist 7.03958 6.56356 4.1204 8.09332 8.44009 7.62333 12.4076 8.53529 12.536 12.9016 numMergedOcc 0
4 mol 8 unq 1 iso 0 dist 7.03958 6.56356 4.1204 10.9495 7.18019 9.01112 8.09332 8.44009 7.62333 6.23795 numMergedOcc 0
5 mol 8 unq 1 iso 1 dist 7.03958 6.56356 4.1204 8.09332 8.44009 7.62333 10.9495 7.18019 9.01112 6.23795 numMergedOcc 0
6 mol 8 unq 2 iso 0 dist 7.18019 9.01112 4.1204 10.9495 7.03958 6.56356 8.4069 8.53529 12.536 12.4076 numMergedOcc 0
7 mol 8 unq 2 iso 1 dist 7.18019 9.01112 4.1204 8.4069 8.53529 12.536 10.9495 7.03958 6.56356 12.4076 numMergedOcc 0
8 mol 8 unq 3 iso 0 dist 7.18019 9.01112 4.1204 10.9495 7.03958 6.56356 6.23795 8.44009 7.62333 8.09332 numMergedOcc 0
9 mol 8 unq 3 iso 1 dist 7.18019 9.01112 4.1204 6.23795 8.44009 7.62333 10.9495 7.03958 6.56356 8.09332 numMergedOcc 0
10 mol 8 unq 3 iso 0 dist 7.18019 9.01112 4.1204 8.4069 8.53529 12.536 6.23795 8.44009 7.62333 12.9016 numMergedOcc 0
11 mol 8 unq 3 iso 1 dist 7.18019 9.01112 4.1204 6.23795 8.44009 7.62333 8.4069 8.53529 12.536 12.9016 numMergedOcc 0
12 mol 8 unq 4 iso 0 dist 8.44009 7.62333 4.1204 8.09332 7.03958 6.56356 12.9016 8.53529 12.536 12.4076 numMergedOcc 0
13 mol 8 unq 4 iso 1 dist 8.44009 7.62333 4.1204 12.9016 8.53529 12.536 8.09332 7.03958 6.56356 12.4076 numMergedOcc 0
14 mol 8 unq 5 iso 0 dist 8.44009 7.62333 4.1204 8.09332 7.03958 6.56356 6.23795 7.18019 9.01112 10.9495 numMergedOcc 0
15 mol 8 unq 5 iso 1 dist 8.44009 7.62333 4.1204 6.23795 7.18019 9.01112 8.09332 7.03958 6.56356 10.9495 numMergedOcc 0
16 mol 8 unq 5 iso 0 dist 8.44009 7.62333 4.1204 12.9016 8.53529 12.536 6.23795 7.18019 9.01112 8.4069 numMergedOcc 0
17 mol 8 unq 5 iso 1 dist 8.44009 7.62333 4.1204 6.23795 7.18019 9.01112 12.9016 8.53529 12.536 8.4069 numMergedOcc 0
18 mol 9 unq 0 iso 0 dist 7.32257 8.30653 10.6575 6.14147 6.55811 13.3228 10.5747 8.64915 16.2613 5.06358 numMergedOcc 0
19 mol 9 unq 0 iso 1 dist 7.32257 8.30653 10.6575 10.5747 8.64915 16.2613 6.14147 6.55811 13.3228 5.06358 numMergedOcc 0
20 mol 24 unq 0 iso 0 dist 8.60554 8.09311 15.4445 14.6259 8.4051 20.3516 10.0952 7.29868 16.0162 15.5315 numMergedOcc 0
21 mol 24 unq 0 iso 1 dist 8.60554 8.09311 15.4445 10.0952 7.29868 16.0162 14.6259 8.4051 20.3516 15.5315 numMergedOcc 0
22 mol 24 unq 1 iso 0 dist 8.60554 9.05357 11.8971 14.6259 8.4051 12.5061 10.0952 7.29868 16.8554 15.5315 numMergedOcc 0
23 mol 24 unq 1 iso 1 dist 8.60554 9.05357 11.8971 10.0952 7.29868 16.8554 14.6259 8.4051 12.5061 15.5315 numMergedOcc 0
24 mol 25 unq 0 iso 0 dist 8.87757 7.05196 3.904 15.5644 8.50222 10.9703 16.1048 7.55264 10.3338 4.33106 numMergedOcc 0
25 mol 25 unq 0 iso 1 dist 8.87757 7.05196 3.904 16.1048 7.55264 10.3338 15.5644 8.50222 10.9703 4.33106 numMergedOcc 0
26 mol 58 unq 0 iso 0 dist 5.93884 9.22598 5.66912 5.30792 9.92355 13.3281 4.81926 7.68678 8.96727 5.35073 numMergedOcc 0
27 mol 58 unq 0 iso 1 dist 5.93884 9.22598 5.66912 4.81926 7.68678 8.96727 5.30792 9.92355 13.3281 5.35073 numMergedOcc 0
28 mol 58 unq 1 iso 0 dist 7.68678 8.96727 5.66912 5.35073 9.92355 13.3281 4.81926 5.93884 9.22598 5.30792 numMergedOcc 0
29 mol 58 unq 1 iso 1 dist 7.68678 8.96727 5.66912 4.81926 5.93884 9.22598 5.35073 9.92355 13.3281 5.30792 numMergedOcc 0
30 mol 58 unq 2 iso 0 dist 7.68678 8.01308 5.76523 5.35073 9.92355 11.5155 4.81926 5.93884 9.55996 5.30792 numMergedOcc 0
31 mol 58 unq 2 iso 1 dist 7.68678 8.01308 5.76523 4.81926 5.93884 9.55996 5.35073 9.92355 11.5155 5.30792 numMergedOcc 0
32 mol 98 unq 0 iso 0 dist 6.7117 5.10496 3.94967 8.40073 4.47349 5.2571 10.2427 5.65185 8.7497 5.02887 numMergedOcc 0
33 mol 98 unq 0 iso 1 dist 6.7117 5.10496 3.94967 10.2427 5.65185 8.7497 8.40073 4.47349 5.2571 5.02887 numMergedOcc 0
34 mol 98 unq 1 iso 0 dist 7.23884 9.64383 12.82 7.51619 5.78706 11.2061 11.4338 5.59328 14.7009 10.6225 numMergedOcc 0
35 mol 98 unq 1 iso 1 dist 7.23884 9.64383 12.82 11.4338 5.59328 14.7009 7.51619 5.78706 11.2061 10.6225 numMergedOcc 0
36 mol 98 unq 2 iso 0 dist 7.23884 9.64383 12.82 7.51619 5.78706 11.2061 9.30161 7.5242 16.3626 12.7411 numMergedOcc 0
37 mol 98 unq 2 iso 1 dist 7.23884 9.64383 12.82 9.30161 7.5242 16.3626 7.51619 5.78706 11.2061 12.7411 numMergedOcc 0
38 mol 98 unq 2 iso 0 dist 7.23884 9.64383 12.82 11.4338 5.59328 14.7009 9.30161 7.5242 16.3626 7.72877 numMergedOcc 0
39 mol 98 unq 2 iso 1 dist 7.23884 9.64383 12.82 9.30161 7.5242 16.3626 11.4338 5.59328 14.7009 7.72877 numMergedOcc 0
40 mol 98 unq 3 iso 0 dist 4.47349 7.54889 3.92737 8.40073 6.7117 9.81956 5.02887 5.65185 7.78931 10.2427 numMergedOcc 0
41 mol 98 unq 3 iso 1 dist 4.47349 7.54889 3.92737 5.02887 5.65185 7.78931 8.40073 6.7117 9.81956 10.2427 numMergedOcc 0
42 mol 98 unq 4 iso 0 dist 4.47349 5.2571 3.94967 8.40073 6.7117 5.10496 5.02887 5.65185 8.7497 10.2427 numMergedOcc 0
43 mol 98 unq 4 iso 1 dist 4.47349 5.2571 3.94967 5.02887 5.65185 8.7497 8.40073 6.7117 5.10496 10.2427 numMergedOcc 0
44 mol 98 unq 5 iso 0 dist 5.65185 7.78931 3.92737 10.2427 6.7117 9.81956 5.02887 4.47349 7.54889 8.40073 numMergedOcc 0
45 mol 98 unq 5 iso 1 dist 5.65185 7.78931 3.92737 5.02887 4.47349 7.54889 10.2427 6.7117 9.81956 8.40073 numMergedOcc 0
46 mol 98 unq 6 iso 0 dist 5.65185 8.7497 3.94967 10.2427 6.7117 5.10496 5.02887 4.47349 5.2571 8.40073 numMergedOcc 0
47 mol 98 unq 6 iso 1 dist 5.65185 8.7497 3.94967 5.02887 4.47349 5.2571 10.2427 6.7117 5.10496 8.40073 numMergedOcc 0
48 mol 130 unq 0 iso 0 dist 7.90048 9.98797 6.39648 10.5137 8.78276 12.8798 7.01619 7.88805 10.4806 4.5207 numMergedOcc 0
49 mol 130 unq 0 iso 1 dist 7.90048 9.98797 6.39648 7.01619 7.88805 10.4806 10.5137 8.78276 12.8798 4.5207 numMergedOcc 0
50 mol 130 unq 1 iso 0 dist 7.90048 9.98797 6.39648 10.5137 8.78276 12.8798 10.7116 7.96646 14.3291 8.38345 numMergedOcc 0
51 mol 130 unq 1 iso 1 dist 7.90048 9.98797 6.39648 10.7116 7.96646 14.3291 10.5137 8.78276 12.8798 8.38345 numMergedOcc 0
52 mol 130 unq 1 iso 0 dist 7.90048 9.98797 6.39648 7.01619 7.88805 10.4806 10.7116 7.96646 14.3291 10.0969 numMergedOcc 0
53 mol 130 unq 1 iso 1 dist 7.90048 9.98797 6.39648 10.7116 7.96646 14.3291 7.01619 7.88805 10.4806 10.0969 numMergedOcc 0
54 mol 133 unq 0 iso 0 dist 7.71248 8.26547 8.88402 6.761 9.97654 12.4934 7.6656 6.66772 13.5471 6.69554 numMergedOcc 0
55 mol 133 unq 0 iso 1 dist 7.71248 8.26547 8.88402 7.6656 6.66772 13.5471 6.761 9.97654 12.4934 6.69554 numMergedOcc 0
56 mol 134 unq 0 iso 0 dist 6.23142 9.33094 6.93712 5.00526 7.69991 11.2896 6.81259 9.94764 8.69531 11.3271 numMergedOcc 0
57 mol 134 unq 0 iso 1 dist 6.23142 9.33094 6.93712 6.81259 9.94764 8.69531 5.00526 7.69991 11.2896 11.3271 numMergedOcc 0
58 mol 134 unq 1 iso 0 dist 9.94764 9.1998 11.5269 11.3271 7.69991 12.4385 6.81259 6.23142 11.0808 5.00526 numMergedOcc 0
59 mol 134 unq 1 iso 1 dist 9.94764 9.1998 11.5269 6.81259 6.23142 11.0808 11.3271 7.69991 12.4385 5.00526 numMergedOcc 0
60 mol 134 unq 2 iso 0 dist 9.94764 8.69531 6.93712 11.3271 7.69991 11.2896 6.81259 6.23142 9.33094 5.00526 numMergedOcc 0
61 mol 134 unq 2 iso 1 dist 9.94764 8.69531 6.93712 6.81259 6.23142 9.33094 11.3271 7.69991 11.2896 5.00526 numMergedOcc 0
62 mol 181 unq 0 iso 0 dist 6.2479 9.76212 6.39406 6.01247 6.22122 8.59874 8.88798 7.99195 13.2783 12.6324 numMergedOcc 0
63 mol 181 unq 0 iso 1 dist 6.2479 9.76212 6.39406 8.88798 7.99195 13.2783 6.01247 6.22122 8.59874 12.6324 numMergedOcc 0
64 mol 181 unq 1 iso 0 dist 6.22122 8.59874 6.39406 6.01247 6.2479 9.76212 12.6324 7.99195 13.2783 8.88798 numMergedOcc 0
65 mol 181 unq 1 iso 1 dist 6.22122 8.59874 6.39406 12.6324 7.99195 13.2783 6.01247 6.2479 9.76212 8.88798 numMergedOcc 0
