0 mol 7 unq 0 iso 0 dist 8.41585 7.88043 10.2446 5.99459 6.88805 8.0744 6.06176 6.36911 7.45262 8.81608 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.41585 8.80762 12.3097 5.99459 6.88805 11.7002 6.06176 6.36911 6.96586 8.81608 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 7.10621 5.72491 5.44992 9.67164 13.156 8.0744 10.789 7.31201 9.55056 14.144 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 7.10621 5.72491 5.44992 9.67164 13.156 8.0744 10.515 9.36807 7.45262 8.81608 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 6.86014 6.60423 6.00575 7.95042 5.69214 4.47891 5.39241 9.75144 8.62284 11.8884 numMergedOcc 0
5 mol 43 unq 0 iso 0 dist 8.80331 9.93832 9.06158 6.6263 5.41726 4.55347 10.4442 9.83618 16.8624 13.07 numMergedOcc 0
6 mol 43 unq 1 iso 0 dist 6.20293 8.60739 9.06158 6.75943 5.41726 4.55347 9.49077 9.83618 16.8624 13.07 numMergedOcc 0
7 mol 45 unq 0 iso 0 dist 7.58835 9.44459 11.6164 9.33906 5.1274 10.7651 6.89191 9.20119 11.3961 13.126 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 6.19965 7.33422 7.91778 7.7068 4.41789 6.33204 11.6116 9.47876 16.0288 10.7558 numMergedOcc 0
9 mol 85 unq 1 iso 0 dist 7.66905 7.33422 10.121 7.7068 5.59906 6.33204 11.6116 7.22293 16.0288 10.7558 numMergedOcc 0
10 mol 100 unq 0 iso 0 dist 7.47343 9.00544 14.9392 7.82475 5.9143 11.3766 15.209 7.75343 22.2111 11.3652 numMergedOcc 0
11 mol 100 unq 1 iso 0 dist 7.47343 9.00544 14.9392 5.35782 5.47563 10.5056 15.209 7.75343 22.2111 12.1809 numMergedOcc 0
12 mol 100 unq 2 iso 0 dist 7.47343 7.12017 12.6602 7.82475 5.9143 13.4027 15.209 7.75343 19.9317 11.3652 numMergedOcc 0
13 mol 100 unq 3 iso 0 dist 7.47343 7.12017 12.6602 5.35782 5.47563 12.068 15.209 7.75343 19.9317 12.1809 numMergedOcc 0
14 mol 115 unq 0 iso 0 dist 5.83991 5.72642 6.4497 7.69765 4.48636 7.27912 10.9739 7.76729 14.0242 10.1174 numMergedOcc 0
15 mol 115 unq 1 iso 0 dist 5.83991 5.72642 6.4497 9.42082 6.63111 10.5109 10.9739 7.76729 14.0242 8.0168 numMergedOcc 0
16 mol 115 unq 2 iso 0 dist 7.88312 5.72642 7.3094 7.69765 11.835 7.27912 11.7126 6.99777 9.9928 16.7897 numMergedOcc 0
17 mol 115 unq 3 iso 0 dist 7.88312 5.72642 7.3094 7.69765 11.835 7.27912 4.62962 9.14376 9.68845 12.0921 numMergedOcc 0
18 mol 115 unq 4 iso 0 dist 7.88312 5.72642 7.3094 9.42082 6.07067 10.5109 11.7126 6.99777 9.9928 12.9982 numMergedOcc 0
19 mol 115 unq 5 iso 0 dist 7.88312 5.72642 7.3094 9.42082 6.07067 10.5109 4.62962 9.14376 9.68845 10.7985 numMergedOcc 0
20 mol 119 unq 0 iso 0 dist 8.73993 8.56342 4.91132 7.64052 9.68677 6.29394 10.6679 9.63176 5.85818 9.08536 numMergedOcc 0
21 mol 119 unq 1 iso 0 dist 8.73993 6.37542 6.08167 7.64052 9.68677 9.64502 10.6679 9.63176 13.4689 9.08536 numMergedOcc 0
22 mol 119 unq 2 iso 0 dist 9.87172 7.99857 7.61939 6.99446 6.20019 6.29394 11.7228 9.38288 15.0419 12.4009 numMergedOcc 0
23 mol 119 unq 3 iso 0 dist 9.87172 7.99857 7.61939 6.99446 6.20019 6.29394 6.35763 6.19042 9.87025 6.13374 numMergedOcc 0
24 mol 119 unq 4 iso 0 dist 9.87172 7.99857 7.61939 6.99446 6.20019 6.29394 7.36192 7.44174 5.85818 9.08536 numMergedOcc 0
25 mol 130 unq 0 iso 0 dist 8.70949 8.33077 5.97111 6.93139 4.97996 6.76477 8.84655 6.89257 6.42785 10.1252 numMergedOcc 0
26 mol 130 unq 1 iso 0 dist 8.70949 8.33077 5.97111 6.93139 4.97996 6.76477 6.76754 8.74308 10.3718 10.5067 numMergedOcc 0
27 mol 152 unq 0 iso 0 dist 8.56324 9.77552 9.35627 6.59889 5.39112 4.71678 5.99333 9.13561 14.187 10.5081 numMergedOcc 0
28 mol 152 unq 1 iso 0 dist 8.56324 9.77552 9.35627 8.9192 4.84714 7.11377 5.99333 9.13561 14.187 12.0501 numMergedOcc 0
29 mol 152 unq 2 iso 0 dist 6.70283 8.28642 9.35627 6.70693 5.39112 4.71678 8.25411 9.13561 14.187 10.5081 numMergedOcc 0
30 mol 214 unq 0 iso 0 dist 8.85478 6.38157 5.63388 7.46481 11.1534 5.73082 6.67959 7.46831 5.10114 8.70987 numMergedOcc 0
31 mol 222 unq 0 iso 0 dist 7.54212 8.48341 7.60395 6.74196 12.8595 9.0716 7.61682 7.18956 13.3287 14.2305 numMergedOcc 0
32 mol 222 unq 1 iso 0 dist 7.54212 8.48341 7.60395 8.36842 12.5866 10.5383 7.61682 7.18956 13.3287 14.562 numMergedOcc 0
33 mol 222 unq 2 iso 0 dist 7.54212 8.48341 7.60395 9.75472 11.9567 8.90753 7.61682 7.18956 13.3287 15.6152 numMergedOcc 0
34 mol 238 unq 0 iso 0 dist 6.22714 5.64181 10.216 9.08509 12.7938 6.94907 5.17471 7.49471 6.44735 5.43613 numMergedOcc 0
35 mol 238 unq 1 iso 0 dist 7.31233 5.64181 7.83352 9.08509 11.0772 6.94907 10.4664 6.55759 8.6597 14.4363 numMergedOcc 0
36 mol 238 unq 2 iso 0 dist 7.31233 5.64181 7.83352 9.08509 11.0772 6.94907 11.2717 7.02475 7.47235 10.529 numMergedOcc 0
37 mol 238 unq 3 iso 0 dist 7.31233 5.64181 7.83352 9.08509 11.0772 6.94907 12.6986 7.67322 10.3116 9.99105 numMergedOcc 0
38 mol 238 unq 4 iso 0 dist 7.31233 5.64181 7.83352 9.08509 11.0772 6.94907 5.17471 7.19008 6.44735 5.43613 numMergedOcc 0
39 mol 248 unq 0 iso 0 dist 7.69895 6.17052 5.99459 9.05018 4.58289 7.14182 6.48757 6.07192 8.53148 5.0345 numMergedOcc 0
40 mol 259 unq 0 iso 0 dist 7.46176 8.55558 5.60748 5.85442 10.067 7.32929 5.79468 7.48005 6.39918 6.23661 numMergedOcc 0
41 mol 259 unq 1 iso 0 dist 7.46176 8.55558 5.60748 6.95511 11.6988 9.55426 5.79468 7.48005 6.39918 9.43105 numMergedOcc 0
42 mol 259 unq 2 iso 0 dist 5.30224 8.59697 7.31951 8.03219 4.04513 4.67584 5.31048 8.37865 6.39918 8.84648 numMergedOcc 0
43 mol 259 unq 3 iso 0 dist 5.30224 8.59697 7.31951 6.9899 7.09907 7.32929 5.31048 8.37865 6.39918 6.23661 numMergedOcc 0
