0 mol 27 unq 0 iso 0 dist 9.10646 13.0847 7.95705 4.91484 8.8018 10.4607 numMergedOcc 0
1 mol 27 unq 0 iso 1 dist 7.95705 13.0847 9.10646 10.4607 8.8018 4.91484 numMergedOcc 0
2 mol 113 unq 0 iso 0 dist 9.43487 8.76937 9.97052 11.0812 5.82487 8.67499 numMergedOcc 0
3 mol 113 unq 0 iso 1 dist 9.97052 8.76937 9.43487 8.67499 5.82487 11.0812 numMergedOcc 0
4 mol 113 unq 1 iso 0 dist 9.43487 14.4973 7.3324 11.0812 5.82487 5.19652 numMergedOcc 0
5 mol 113 unq 1 iso 1 dist 7.3324 14.4973 9.43487 5.19652 5.82487 11.0812 numMergedOcc 0
6 mol 113 unq 1 iso 0 dist 9.97052 13.7958 7.3324 8.67499 5.82487 5.19652 numMergedOcc 0
7 mol 113 unq 1 iso 1 dist 7.3324 13.7958 9.97052 5.19652 5.82487 8.67499 numMergedOcc 0
8 mol 120 unq 0 iso 0 dist 9.13829 5.43508 5.90276 9.32263 8.5457 5.95039 numMergedOcc 0
9 mol 120 unq 0 iso 1 dist 5.90276 5.43508 9.13829 5.95039 8.5457 9.32263 numMergedOcc 0
10 mol 120 unq 1 iso 0 dist 9.13829 5.43508 5.90276 9.45514 6.7928 4.09501 numMergedOcc 0
11 mol 120 unq 1 iso 1 dist 5.90276 5.43508 9.13829 4.09501 6.7928 9.45514 numMergedOcc 0
12 mol 120 unq 2 iso 0 dist 9.13829 5.43508 5.90276 11.5746 7.59189 6.81436 numMergedOcc 0
13 mol 120 unq 2 iso 1 dist 5.90276 5.43508 9.13829 6.81436 7.59189 11.5746 numMergedOcc 0
14 mol 120 unq 3 iso 0 dist 9.13829 15.5496 8.565 9.32263 8.5457 14.645 numMergedOcc 0
15 mol 120 unq 3 iso 1 dist 8.565 15.5496 9.13829 14.645 8.5457 9.32263 numMergedOcc 0
16 mol 120 unq 4 iso 0 dist 9.13829 15.5496 8.565 9.45514 6.7928 10.2082 numMergedOcc 0
17 mol 120 unq 4 iso 1 dist 8.565 15.5496 9.13829 10.2082 6.7928 9.45514 numMergedOcc 0
18 mol 120 unq 5 iso 0 dist 9.13829 15.5496 8.565 11.5746 7.59189 6.13307 numMergedOcc 0
19 mol 120 unq 5 iso 1 dist 8.565 15.5496 9.13829 6.13307 7.59189 11.5746 numMergedOcc 0
20 mol 120 unq 3 iso 0 dist 5.90276 11.401 8.565 5.95039 8.5457 14.645 numMergedOcc 0
21 mol 120 unq 3 iso 1 dist 8.565 11.401 5.90276 14.645 8.5457 5.95039 numMergedOcc 0
22 mol 120 unq 4 iso 0 dist 5.90276 11.401 8.565 4.09501 6.7928 10.2082 numMergedOcc 0
23 mol 120 unq 4 iso 1 dist 8.565 11.401 5.90276 10.2082 6.7928 4.09501 numMergedOcc 0
24 mol 120 unq 5 iso 0 dist 5.90276 11.401 8.565 6.81436 7.59189 6.13307 numMergedOcc 0
25 mol 120 unq 5 iso 1 dist 8.565 11.401 5.90276 6.13307 7.59189 6.81436 numMergedOcc 0
26 mol 125 unq 0 iso 0 dist 9.87276 12.053 9.97204 5.51248 6.72613 7.48533 numMergedOcc 0
27 mol 125 unq 0 iso 1 dist 9.97204 12.053 9.87276 7.48533 6.72613 5.51248 numMergedOcc 0
28 mol 133 unq 0 iso 0 dist 4.80778 5.01776 6.58803 13.46 8.75049 13.7612 numMergedOcc 0
29 mol 133 unq 0 iso 1 dist 6.58803 5.01776 4.80778 13.7612 8.75049 13.46 numMergedOcc 0
30 mol 133 unq 1 iso 0 dist 4.80778 11.3944 9.96967 13.46 8.75049 12.9605 numMergedOcc 0
31 mol 133 unq 1 iso 1 dist 9.96967 11.3944 4.80778 12.9605 8.75049 13.46 numMergedOcc 0
32 mol 133 unq 2 iso 0 dist 4.80778 10.5425 6.31523 13.46 8.75049 4.64588 numMergedOcc 0
33 mol 133 unq 2 iso 1 dist 6.31523 10.5425 4.80778 4.64588 8.75049 13.46 numMergedOcc 0
34 mol 133 unq 1 iso 0 dist 6.58803 7.3347 9.96967 13.7612 8.75049 12.9605 numMergedOcc 0
35 mol 133 unq 1 iso 1 dist 9.96967 7.3347 6.58803 12.9605 8.75049 13.7612 numMergedOcc 0
36 mol 133 unq 2 iso 0 dist 6.58803 12.3753 6.31523 13.7612 8.75049 4.64588 numMergedOcc 0
37 mol 133 unq 2 iso 1 dist 6.31523 12.3753 6.58803 4.64588 8.75049 13.7612 numMergedOcc 0
38 mol 133 unq 2 iso 0 dist 9.96967 14.0664 6.31523 12.9605 8.75049 4.64588 numMergedOcc 0
39 mol 133 unq 2 iso 1 dist 6.31523 14.0664 9.96967 4.64588 8.75049 12.9605 numMergedOcc 0
40 mol 143 unq 0 iso 0 dist 9.32503 11.6429 8.58421 6.49108 9.3169 9.79072 numMergedOcc 0
41 mol 143 unq 0 iso 1 dist 8.58421 11.6429 9.32503 9.79072 9.3169 6.49108 numMergedOcc 0
42 mol 143 unq 1 iso 0 dist 9.32503 11.6429 8.58421 6.15159 5.5639 5.80488 numMergedOcc 0
43 mol 143 unq 1 iso 1 dist 8.58421 11.6429 9.32503 5.80488 5.5639 6.15159 numMergedOcc 0
44 mol 185 unq 0 iso 0 dist 6.70069 6.40496 9.52532 4.53126 8.78799 9.27932 numMergedOcc 0
45 mol 185 unq 0 iso 1 dist 9.52532 6.40496 6.70069 9.27932 8.78799 4.53126 numMergedOcc 0
46 mol 198 unq 0 iso 0 dist 9.7384 4.05005 8.89259 4.53957 8.32738 7.58207 numMergedOcc 0
47 mol 198 unq 0 iso 1 dist 8.89259 4.05005 9.7384 7.58207 8.32738 4.53957 numMergedOcc 0
48 mol 198 unq 1 iso 0 dist 9.7384 11.3368 9.95733 4.53957 8.32738 10.9414 numMergedOcc 0
49 mol 198 unq 1 iso 1 dist 9.95733 11.3368 9.7384 10.9414 8.32738 4.53957 numMergedOcc 0
50 mol 198 unq 2 iso 0 dist 9.7384 8.73251 9.72176 4.53957 8.32738 10.1361 numMergedOcc 0
51 mol 198 unq 2 iso 1 dist 9.72176 8.73251 9.7384 10.1361 8.32738 4.53957 numMergedOcc 0
52 mol 198 unq 1 iso 0 dist 8.89259 11.578 9.95733 7.58207 8.32738 10.9414 numMergedOcc 0
53 mol 198 unq 1 iso 1 dist 9.95733 11.578 8.89259 10.9414 8.32738 7.58207 numMergedOcc 0
54 mol 198 unq 2 iso 0 dist 8.89259 8.0554 9.72176 7.58207 8.32738 10.1361 numMergedOcc 0
55 mol 198 unq 2 iso 1 dist 9.72176 8.0554 8.89259 10.1361 8.32738 7.58207 numMergedOcc 0
56 mol 198 unq 2 iso 0 dist 9.95733 4.51529 9.72176 10.9414 8.32738 10.1361 numMergedOcc 0
57 mol 198 unq 2 iso 1 dist 9.72176 4.51529 9.95733 10.1361 8.32738 10.9414 numMergedOcc 0
58 mol 219 unq 0 iso 0 dist 8.15287 16.2337 8.72341 5.0241 7.68645 14.1934 numMergedOcc 0
59 mol 219 unq 0 iso 1 dist 8.72341 16.2337 8.15287 14.1934 7.68645 5.0241 numMergedOcc 0
60 mol 219 unq 1 iso 0 dist 8.15287 16.2337 8.72341 4.36122 5.75017 13.288 numMergedOcc 0
61 mol 219 unq 1 iso 1 dist 8.72341 16.2337 8.15287 13.288 5.75017 4.36122 numMergedOcc 0
62 mol 219 unq 2 iso 0 dist 8.15287 16.2337 8.72341 14.0703 6.12768 4.95329 numMergedOcc 0
63 mol 219 unq 2 iso 1 dist 8.72341 16.2337 8.15287 4.95329 6.12768 14.0703 numMergedOcc 0
64 mol 219 unq 3 iso 0 dist 8.15287 16.2337 8.72341 13.25 7.19159 4.26247 numMergedOcc 0
65 mol 219 unq 3 iso 1 dist 8.72341 16.2337 8.15287 4.26247 7.19159 13.25 numMergedOcc 0
66 mol 287 unq 0 iso 0 dist 6.08044 6.13067 8.8956 9.67708 9.29241 15.5716 numMergedOcc 0
67 mol 287 unq 0 iso 1 dist 8.8956 6.13067 6.08044 15.5716 9.29241 9.67708 numMergedOcc 0
68 mol 288 unq 0 iso 0 dist 6.08044 6.13067 8.8956 9.67708 9.29241 15.5716 numMergedOcc 0
69 mol 288 unq 0 iso 1 dist 8.8956 6.13067 6.08044 15.5716 9.29241 9.67708 numMergedOcc 0
70 mol 289 unq 0 iso 0 dist 6.08044 6.13067 8.8956 9.67708 9.29241 15.5716 numMergedOcc 0
71 mol 289 unq 0 iso 1 dist 8.8956 6.13067 6.08044 15.5716 9.29241 9.67708 numMergedOcc 0
