0 mol 43 unq 0 iso 0 dist 9.52295 4.66789 9.36759 11.8286 9.07906 14.6904 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 9.52295 4.66789 9.36759 12.381 8.75567 12.0121 numMergedOcc 0
2 mol 43 unq 2 iso 0 dist 9.52295 9.8284 5.0553 11.8286 9.07906 11.8429 numMergedOcc 0
3 mol 43 unq 3 iso 0 dist 9.52295 9.8284 5.0553 12.381 8.75567 5.8542 numMergedOcc 0
4 mol 63 unq 0 iso 0 dist 8.20976 13.2028 9.93484 13.2118 8.79583 7.43519 numMergedOcc 0
5 mol 91 unq 0 iso 0 dist 5.11803 5.68632 8.72121 6.88024 7.37948 7.35867 numMergedOcc 0
6 mol 107 unq 0 iso 0 dist 8.83855 12.4695 6.99676 8.49615 7.02709 13.5052 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 6.29634 10.5389 7.43445 12.1192 8.20715 6.24736 numMergedOcc 0
8 mol 119 unq 1 iso 0 dist 6.29634 10.5389 7.43445 5.3154 6.16081 5.81718 numMergedOcc 0
9 mol 120 unq 0 iso 0 dist 9.13829 12.314 7.82186 9.32263 8.5457 5.74096 numMergedOcc 0
10 mol 120 unq 1 iso 0 dist 9.13829 12.314 7.82186 9.45514 6.7928 8.58414 numMergedOcc 0
11 mol 120 unq 2 iso 0 dist 9.13829 12.314 7.82186 11.5746 7.59189 12.5923 numMergedOcc 0
12 mol 120 unq 3 iso 0 dist 9.13829 14.2862 5.85006 9.32263 8.5457 11.8343 numMergedOcc 0
13 mol 120 unq 4 iso 0 dist 9.13829 14.2862 5.85006 9.45514 6.7928 8.40633 numMergedOcc 0
14 mol 120 unq 5 iso 0 dist 9.13829 14.2862 5.85006 11.5746 7.59189 6.60352 numMergedOcc 0
15 mol 120 unq 6 iso 0 dist 5.90276 9.31366 7.82186 5.95039 8.5457 5.74096 numMergedOcc 0
16 mol 120 unq 7 iso 0 dist 5.90276 9.31366 7.82186 4.09501 6.7928 8.58414 numMergedOcc 0
17 mol 120 unq 8 iso 0 dist 5.90276 9.31366 7.82186 6.81436 7.59189 12.5923 numMergedOcc 0
18 mol 120 unq 9 iso 0 dist 5.90276 9.8665 5.85006 5.95039 8.5457 11.8343 numMergedOcc 0
19 mol 120 unq 10 iso 0 dist 5.90276 9.8665 5.85006 4.09501 6.7928 8.40633 numMergedOcc 0
20 mol 120 unq 11 iso 0 dist 5.90276 9.8665 5.85006 6.81436 7.59189 6.60352 numMergedOcc 0
21 mol 120 unq 12 iso 0 dist 8.565 14.5868 7.82186 14.645 8.5457 5.74096 numMergedOcc 0
22 mol 120 unq 13 iso 0 dist 8.565 14.5868 7.82186 10.2082 6.7928 8.58414 numMergedOcc 0
23 mol 120 unq 14 iso 0 dist 8.565 14.5868 7.82186 6.13307 7.59189 12.5923 numMergedOcc 0
24 mol 120 unq 15 iso 0 dist 8.565 4.15475 5.85006 14.645 8.5457 11.8343 numMergedOcc 0
25 mol 120 unq 16 iso 0 dist 8.565 4.15475 5.85006 10.2082 6.7928 8.40633 numMergedOcc 0
26 mol 120 unq 17 iso 0 dist 8.565 4.15475 5.85006 6.13307 7.59189 6.60352 numMergedOcc 0
27 mol 125 unq 0 iso 0 dist 9.87276 8.62477 7.34506 5.51248 6.72613 5.72032 numMergedOcc 0
28 mol 125 unq 1 iso 0 dist 9.97204 5.30189 7.34506 7.48533 6.72613 5.72032 numMergedOcc 0
29 mol 127 unq 0 iso 0 dist 9.91321 5.88232 7.34368 8.60326 8.82676 10.345 numMergedOcc 0
30 mol 127 unq 1 iso 0 dist 9.91321 5.88232 7.34368 11.4002 8.17522 12.9049 numMergedOcc 0
31 mol 127 unq 2 iso 0 dist 9.91321 5.88232 7.34368 11.7596 8.14341 12.7518 numMergedOcc 0
32 mol 127 unq 3 iso 0 dist 9.91321 5.88232 7.34368 7.698 6.54744 4.87509 numMergedOcc 0
33 mol 133 unq 0 iso 0 dist 4.80778 6.2341 9.58868 13.46 8.75049 16.8552 numMergedOcc 0
34 mol 133 unq 1 iso 0 dist 6.58803 5.30013 9.58868 13.7612 8.75049 16.8552 numMergedOcc 0
35 mol 133 unq 2 iso 0 dist 9.96967 12.181 9.58868 12.9605 8.75049 16.8552 numMergedOcc 0
36 mol 133 unq 3 iso 0 dist 6.31523 14.5514 9.58868 4.64588 8.75049 16.8552 numMergedOcc 0
37 mol 152 unq 0 iso 0 dist 9.06801 4.62126 9.87656 11.1874 8.86966 14.7987 numMergedOcc 0
38 mol 152 unq 1 iso 0 dist 9.06801 4.62126 9.87656 8.36099 5.7527 10.8051 numMergedOcc 0
39 mol 152 unq 2 iso 0 dist 9.06801 8.90456 5.35463 11.1874 8.86966 11.7248 numMergedOcc 0
40 mol 152 unq 3 iso 0 dist 9.06801 8.90456 5.35463 8.36099 5.7527 6.4987 numMergedOcc 0
41 mol 158 unq 0 iso 0 dist 9.18848 11.2678 7.41387 11.6657 9.53821 4.80775 numMergedOcc 0
42 mol 162 unq 0 iso 0 dist 8.99034 12.2516 7.80955 6.00067 9.48488 8.36842 numMergedOcc 0
43 mol 162 unq 1 iso 0 dist 8.99034 5.55488 6.66396 6.00067 9.48488 7.13269 numMergedOcc 0
44 mol 167 unq 0 iso 0 dist 6.00793 5.30254 7.78684 9.57777 6.85239 8.89995 numMergedOcc 0
45 mol 167 unq 1 iso 0 dist 6.00793 5.30254 7.78684 8.66436 5.72735 6.43506 numMergedOcc 0
46 mol 198 unq 0 iso 0 dist 9.7384 10.9859 8.95625 4.53957 8.32738 12.2253 numMergedOcc 0
47 mol 198 unq 1 iso 0 dist 8.89259 8.22776 8.95625 7.58207 8.32738 12.2253 numMergedOcc 0
48 mol 198 unq 2 iso 0 dist 9.95733 16.8636 8.95625 10.9414 8.32738 12.2253 numMergedOcc 0
49 mol 198 unq 3 iso 0 dist 9.72176 14.2746 8.95625 10.1361 8.32738 12.2253 numMergedOcc 0
50 mol 206 unq 0 iso 0 dist 6.38964 5.59897 5.99766 10.3584 9.62822 8.21044 numMergedOcc 0
51 mol 206 unq 1 iso 0 dist 6.38964 5.59897 5.99766 5.70669 7.03546 8.05113 numMergedOcc 0
52 mol 243 unq 0 iso 0 dist 7.39089 14.2074 7.43688 14.0386 9.57009 5.70085 numMergedOcc 0
53 mol 243 unq 1 iso 0 dist 7.39089 5.80426 5.50716 14.0386 9.57009 11.7956 numMergedOcc 0
54 mol 282 unq 0 iso 0 dist 6.96758 4.22263 8.64115 12.271 8.76788 14.9374 numMergedOcc 0
55 mol 283 unq 0 iso 0 dist 7.81415 9.48513 6.69313 11.0354 8.25636 11.2636 numMergedOcc 0
