0 mol 33 unq 0 iso 0 dist 6.42569 3.81436 9.13872 11.8528 9.88964 12.1091 numMergedOcc 0
1 mol 33 unq 0 iso 1 dist 9.13872 3.81436 6.42569 12.1091 9.88964 11.8528 numMergedOcc 0
2 mol 33 unq 1 iso 0 dist 6.42569 3.81436 9.13872 11.9601 7.26522 14.3548 numMergedOcc 0
3 mol 33 unq 1 iso 1 dist 9.13872 3.81436 6.42569 14.3548 7.26522 11.9601 numMergedOcc 0
4 mol 33 unq 2 iso 0 dist 6.42569 3.81436 9.13872 4.90612 7.40467 6.0516 numMergedOcc 0
5 mol 33 unq 2 iso 1 dist 9.13872 3.81436 6.42569 6.0516 7.40467 4.90612 numMergedOcc 0
6 mol 33 unq 3 iso 0 dist 6.42569 4.59375 7.27307 11.8528 9.88964 8.25522 numMergedOcc 0
7 mol 33 unq 3 iso 1 dist 7.27307 4.59375 6.42569 8.25522 9.88964 11.8528 numMergedOcc 0
8 mol 33 unq 4 iso 0 dist 6.42569 4.59375 7.27307 11.9601 7.26522 11.1264 numMergedOcc 0
9 mol 33 unq 4 iso 1 dist 7.27307 4.59375 6.42569 11.1264 7.26522 11.9601 numMergedOcc 0
10 mol 33 unq 5 iso 0 dist 6.42569 4.59375 7.27307 4.90612 7.40467 3.70057 numMergedOcc 0
11 mol 33 unq 5 iso 1 dist 7.27307 4.59375 6.42569 3.70057 7.40467 4.90612 numMergedOcc 0
12 mol 33 unq 6 iso 0 dist 6.42569 8.78909 5.73206 11.8528 9.88964 5.18096 numMergedOcc 0
13 mol 33 unq 6 iso 1 dist 5.73206 8.78909 6.42569 5.18096 9.88964 11.8528 numMergedOcc 0
14 mol 33 unq 7 iso 0 dist 6.42569 8.78909 5.73206 11.9601 7.26522 7.41772 numMergedOcc 0
15 mol 33 unq 7 iso 1 dist 5.73206 8.78909 6.42569 7.41772 7.26522 11.9601 numMergedOcc 0
16 mol 33 unq 8 iso 0 dist 6.42569 8.78909 5.73206 4.90612 7.40467 7.35776 numMergedOcc 0
17 mol 33 unq 8 iso 1 dist 5.73206 8.78909 6.42569 7.35776 7.40467 4.90612 numMergedOcc 0
18 mol 33 unq 3 iso 0 dist 9.13872 3.8653 7.27307 12.1091 9.88964 8.25522 numMergedOcc 0
19 mol 33 unq 3 iso 1 dist 7.27307 3.8653 9.13872 8.25522 9.88964 12.1091 numMergedOcc 0
20 mol 33 unq 4 iso 0 dist 9.13872 3.8653 7.27307 14.3548 7.26522 11.1264 numMergedOcc 0
21 mol 33 unq 4 iso 1 dist 7.27307 3.8653 9.13872 11.1264 7.26522 14.3548 numMergedOcc 0
22 mol 33 unq 5 iso 0 dist 9.13872 3.8653 7.27307 6.0516 7.40467 3.70057 numMergedOcc 0
23 mol 33 unq 5 iso 1 dist 7.27307 3.8653 9.13872 3.70057 7.40467 6.0516 numMergedOcc 0
24 mol 33 unq 6 iso 0 dist 9.13872 9.45612 5.73206 12.1091 9.88964 5.18096 numMergedOcc 0
25 mol 33 unq 6 iso 1 dist 5.73206 9.45612 9.13872 5.18096 9.88964 12.1091 numMergedOcc 0
26 mol 33 unq 7 iso 0 dist 9.13872 9.45612 5.73206 14.3548 7.26522 7.41772 numMergedOcc 0
27 mol 33 unq 7 iso 1 dist 5.73206 9.45612 9.13872 7.41772 7.26522 14.3548 numMergedOcc 0
28 mol 33 unq 8 iso 0 dist 9.13872 9.45612 5.73206 6.0516 7.40467 7.35776 numMergedOcc 0
29 mol 33 unq 8 iso 1 dist 5.73206 9.45612 9.13872 7.35776 7.40467 6.0516 numMergedOcc 0
30 mol 33 unq 6 iso 0 dist 7.27307 6.05212 5.73206 8.25522 9.88964 5.18096 numMergedOcc 0
31 mol 33 unq 6 iso 1 dist 5.73206 6.05212 7.27307 5.18096 9.88964 8.25522 numMergedOcc 0
32 mol 33 unq 7 iso 0 dist 7.27307 6.05212 5.73206 11.1264 7.26522 7.41772 numMergedOcc 0
33 mol 33 unq 7 iso 1 dist 5.73206 6.05212 7.27307 7.41772 7.26522 11.1264 numMergedOcc 0
34 mol 33 unq 8 iso 0 dist 7.27307 6.05212 5.73206 3.70057 7.40467 7.35776 numMergedOcc 0
35 mol 33 unq 8 iso 1 dist 5.73206 6.05212 7.27307 7.35776 7.40467 3.70057 numMergedOcc 0
36 mol 61 unq 0 iso 0 dist 8.6338 8.61908 7.31677 4.92345 9.5437 7.68058 numMergedOcc 0
37 mol 61 unq 0 iso 1 dist 7.31677 8.61908 8.6338 7.68058 9.5437 4.92345 numMergedOcc 0
38 mol 69 unq 0 iso 0 dist 7.00234 7.55848 7.30652 4.89784 8.77132 4.50543 numMergedOcc 0
39 mol 69 unq 0 iso 1 dist 7.30652 7.55848 7.00234 4.50543 8.77132 4.89784 numMergedOcc 0
40 mol 73 unq 0 iso 0 dist 9.1622 3.44939 7.59013 9.30021 8.30379 6.30613 numMergedOcc 0
41 mol 73 unq 0 iso 1 dist 7.59013 3.44939 9.1622 6.30613 8.30379 9.30021 numMergedOcc 0
42 mol 130 unq 0 iso 0 dist 8.17814 11.1012 9.14434 7.06579 9.64516 14.1942 numMergedOcc 0
43 mol 130 unq 0 iso 1 dist 9.14434 11.1012 8.17814 14.1942 9.64516 7.06579 numMergedOcc 0
44 mol 141 unq 0 iso 0 dist 9.73865 9.03348 8.52591 10.6467 9.85107 7.26284 numMergedOcc 0
45 mol 141 unq 0 iso 1 dist 8.52591 9.03348 9.73865 7.26284 9.85107 10.6467 numMergedOcc 0
46 mol 167 unq 0 iso 0 dist 9.63473 7.49794 8.39087 4.90755 9.94406 6.00202 numMergedOcc 0
47 mol 167 unq 0 iso 1 dist 8.39087 7.49794 9.63473 6.00202 9.94406 4.90755 numMergedOcc 0
48 mol 212 unq 0 iso 0 dist 8.09185 9.449 7.27225 6.8255 4.72269 11.009 numMergedOcc 0
49 mol 212 unq 0 iso 1 dist 7.27225 9.449 8.09185 11.009 4.72269 6.8255 numMergedOcc 0
50 mol 212 unq 1 iso 0 dist 8.09185 5.23375 8.14212 6.8255 4.72269 8.66123 numMergedOcc 0
51 mol 212 unq 1 iso 1 dist 8.14212 5.23375 8.09185 8.66123 4.72269 6.8255 numMergedOcc 0
52 mol 212 unq 1 iso 0 dist 7.27225 7.17541 8.14212 11.009 4.72269 8.66123 numMergedOcc 0
53 mol 212 unq 1 iso 1 dist 8.14212 7.17541 7.27225 8.66123 4.72269 11.009 numMergedOcc 0
54 mol 233 unq 0 iso 0 dist 7.20629 12.6778 9.44671 14.0733 9.9704 10.5617 numMergedOcc 0
55 mol 233 unq 0 iso 1 dist 9.44671 12.6778 7.20629 10.5617 9.9704 14.0733 numMergedOcc 0
56 mol 239 unq 0 iso 0 dist 4.53228 6.04459 8.54078 4.52384 7.07461 8.07771 numMergedOcc 0
57 mol 239 unq 0 iso 1 dist 8.54078 6.04459 4.53228 8.07771 7.07461 4.52384 numMergedOcc 0
