0 mol 48 unq 0 iso 0 dist 9.55284 5.13868 7.36877 11.3794 7.02387 9.32024 numMergedOcc 0
1 mol 48 unq 0 iso 1 dist 7.36877 5.13868 9.55284 9.32024 7.02387 11.3794 numMergedOcc 0
2 mol 48 unq 1 iso 0 dist 9.55284 5.13868 7.36877 9.78889 4.74786 5.52962 numMergedOcc 0
3 mol 48 unq 1 iso 1 dist 7.36877 5.13868 9.55284 5.52962 4.74786 9.78889 numMergedOcc 0
4 mol 48 unq 2 iso 0 dist 7.33788 5.43494 8.52681 5.52962 6.11249 10.1477 numMergedOcc 0
5 mol 48 unq 2 iso 1 dist 8.52681 5.43494 7.33788 10.1477 6.11249 5.52962 numMergedOcc 0
6 mol 48 unq 3 iso 0 dist 6.85843 5.56042 7.94814 5.20585 6.15814 9.98618 numMergedOcc 0
7 mol 48 unq 3 iso 1 dist 7.94814 5.56042 6.85843 9.98618 6.15814 5.20585 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 8.67342 9.06957 5.73739 13.9882 5.61151 10.1326 numMergedOcc 0
9 mol 85 unq 0 iso 1 dist 5.73739 9.06957 8.67342 10.1326 5.61151 13.9882 numMergedOcc 0
10 mol 85 unq 1 iso 0 dist 8.60062 9.06957 5.16225 13.9882 6.54289 10.1326 numMergedOcc 0
11 mol 85 unq 1 iso 1 dist 5.16225 9.06957 8.60062 10.1326 6.54289 13.9882 numMergedOcc 0
12 mol 85 unq 2 iso 0 dist 8.60062 9.06957 5.16225 12.4238 7.52869 12.2156 numMergedOcc 0
13 mol 85 unq 2 iso 1 dist 5.16225 9.06957 8.60062 12.2156 7.52869 12.4238 numMergedOcc 0
14 mol 85 unq 3 iso 0 dist 8.60062 9.06957 5.16225 10.5359 9.18945 13.9131 numMergedOcc 0
15 mol 85 unq 3 iso 1 dist 5.16225 9.06957 8.60062 13.9131 9.18945 10.5359 numMergedOcc 0
16 mol 101 unq 0 iso 0 dist 7.33426 10.7319 8.17175 4.09052 8.35515 10.95 numMergedOcc 0
17 mol 101 unq 0 iso 1 dist 8.17175 10.7319 7.33426 10.95 8.35515 4.09052 numMergedOcc 0
18 mol 135 unq 0 iso 0 dist 8.18584 6.457 9.85803 14.1872 9.94534 11.2681 numMergedOcc 0
19 mol 135 unq 0 iso 1 dist 9.85803 6.457 8.18584 11.2681 9.94534 14.1872 numMergedOcc 0
20 mol 193 unq 0 iso 0 dist 9.00084 13.7578 9.50113 5.12102 6.21648 11.453 numMergedOcc 0
21 mol 193 unq 0 iso 1 dist 9.50113 13.7578 9.00084 11.453 6.21648 5.12102 numMergedOcc 0
22 mol 251 unq 0 iso 0 dist 7.90148 10.7701 9.49019 6.05393 9.55854 6.41908 numMergedOcc 0
23 mol 251 unq 0 iso 1 dist 9.49019 10.7701 7.90148 6.41908 9.55854 6.05393 numMergedOcc 0
24 mol 277 unq 0 iso 0 dist 9.07744 12.752 8.42892 6.20663 9.62597 14.2261 numMergedOcc 0
25 mol 277 unq 0 iso 1 dist 8.42892 12.752 9.07744 14.2261 9.62597 6.20663 numMergedOcc 0
26 mol 277 unq 1 iso 0 dist 9.07744 15.2073 8.90967 6.20663 9.62597 12.0017 numMergedOcc 0
27 mol 277 unq 1 iso 1 dist 8.90967 15.2073 9.07744 12.0017 9.62597 6.20663 numMergedOcc 0
28 mol 277 unq 1 iso 0 dist 8.42892 15.6008 8.90967 14.2261 9.62597 12.0017 numMergedOcc 0
29 mol 277 unq 1 iso 1 dist 8.90967 15.6008 8.42892 12.0017 9.62597 14.2261 numMergedOcc 0
30 mol 281 unq 0 iso 0 dist 9.39268 15.6382 9.06888 5.96808 9.94612 12.6605 numMergedOcc 0
31 mol 281 unq 0 iso 1 dist 9.06888 15.6382 9.39268 12.6605 9.94612 5.96808 numMergedOcc 0
32 mol 287 unq 0 iso 0 dist 5.44942 5.42655 8.53689 9.9901 7.1388 9.62921 numMergedOcc 0
33 mol 287 unq 0 iso 1 dist 8.53689 5.42655 5.44942 9.62921 7.1388 9.9901 numMergedOcc 0
34 mol 287 unq 1 iso 0 dist 5.44942 8.72516 7.82157 9.9901 7.1388 9.74355 numMergedOcc 0
35 mol 287 unq 1 iso 1 dist 7.82157 8.72516 5.44942 9.74355 7.1388 9.9901 numMergedOcc 0
36 mol 287 unq 1 iso 0 dist 8.53689 12.4945 7.82157 9.62921 7.1388 9.74355 numMergedOcc 0
37 mol 287 unq 1 iso 1 dist 7.82157 12.4945 8.53689 9.74355 7.1388 9.62921 numMergedOcc 0
38 mol 288 unq 0 iso 0 dist 5.44942 5.42655 8.53689 9.9901 7.1388 9.62921 numMergedOcc 0
39 mol 288 unq 0 iso 1 dist 8.53689 5.42655 5.44942 9.62921 7.1388 9.9901 numMergedOcc 0
40 mol 288 unq 1 iso 0 dist 5.44942 8.72516 7.82157 9.9901 7.1388 9.74355 numMergedOcc 0
41 mol 288 unq 1 iso 1 dist 7.82157 8.72516 5.44942 9.74355 7.1388 9.9901 numMergedOcc 0
42 mol 288 unq 1 iso 0 dist 8.53689 12.4945 7.82157 9.62921 7.1388 9.74355 numMergedOcc 0
43 mol 288 unq 1 iso 1 dist 7.82157 12.4945 8.53689 9.74355 7.1388 9.62921 numMergedOcc 0
44 mol 289 unq 0 iso 0 dist 5.44942 5.42655 8.53689 9.9901 7.1388 9.62921 numMergedOcc 0
45 mol 289 unq 0 iso 1 dist 8.53689 5.42655 5.44942 9.62921 7.1388 9.9901 numMergedOcc 0
46 mol 289 unq 1 iso 0 dist 5.44942 8.72516 7.82157 9.9901 7.1388 9.74355 numMergedOcc 0
47 mol 289 unq 1 iso 1 dist 7.82157 8.72516 5.44942 9.74355 7.1388 9.9901 numMergedOcc 0
48 mol 289 unq 1 iso 0 dist 8.53689 12.4945 7.82157 9.62921 7.1388 9.74355 numMergedOcc 0
49 mol 289 unq 1 iso 1 dist 7.82157 12.4945 8.53689 9.74355 7.1388 9.62921 numMergedOcc 0
