0 mol 34 unq 0 iso 0 dist 9.81143 9.78839 3.39994 9.84195 7.18022 6.24711 numMergedOcc 0
1 mol 34 unq 1 iso 0 dist 9.78839 9.81143 3.39994 9.84195 6.24711 7.18022 numMergedOcc 0
2 mol 78 unq 0 iso 0 dist 7.32064 5.24136 3.46043 7.17843 6.85523 8.28423 numMergedOcc 0
3 mol 78 unq 1 iso 0 dist 7.32064 5.24136 3.46043 13.1649 8.65848 11.6461 numMergedOcc 0
4 mol 78 unq 2 iso 0 dist 7.32064 6.44687 10.589 7.17843 6.85523 13.3131 numMergedOcc 0
5 mol 78 unq 3 iso 0 dist 7.32064 6.44687 10.589 13.1649 8.65848 18.1186 numMergedOcc 0
6 mol 78 unq 4 iso 0 dist 7.32064 5.85007 8.2592 7.17843 6.85523 5.77326 numMergedOcc 0
7 mol 78 unq 5 iso 0 dist 7.32064 5.85007 8.2592 13.1649 8.65848 12.35 numMergedOcc 0
8 mol 78 unq 6 iso 0 dist 4.62314 4.41745 3.46043 4.4651 6.85523 8.28423 numMergedOcc 0
9 mol 78 unq 7 iso 0 dist 4.62314 4.41745 3.46043 9.31889 8.65848 11.6461 numMergedOcc 0
10 mol 78 unq 8 iso 0 dist 4.62314 6.35234 8.2592 4.4651 6.85523 5.77326 numMergedOcc 0
11 mol 78 unq 9 iso 0 dist 4.62314 6.35234 8.2592 9.31889 8.65848 12.35 numMergedOcc 0
12 mol 78 unq 10 iso 0 dist 5.85007 7.32064 8.2592 7.17843 5.77326 6.85523 numMergedOcc 0
13 mol 78 unq 11 iso 0 dist 5.85007 5.24136 8.20564 7.17843 5.77326 8.28423 numMergedOcc 0
14 mol 78 unq 12 iso 0 dist 5.85007 6.44687 11.4675 7.17843 5.77326 13.3131 numMergedOcc 0
15 mol 78 unq 13 iso 0 dist 6.35234 4.62314 8.2592 4.4651 5.77326 6.85523 numMergedOcc 0
16 mol 78 unq 14 iso 0 dist 6.35234 4.41745 8.20564 4.4651 5.77326 8.28423 numMergedOcc 0
17 mol 81 unq 0 iso 0 dist 5.73799 8.38883 10.1134 5.65355 7.07095 13.9075 numMergedOcc 0
18 mol 95 unq 0 iso 0 dist 9.70292 9.59704 9.43547 5.69671 8.57395 9.85409 numMergedOcc 0
19 mol 95 unq 1 iso 0 dist 9.59704 9.70292 9.43547 5.69671 9.85409 8.57395 numMergedOcc 0
20 mol 98 unq 0 iso 0 dist 8.3505 7.34638 9.6331 4.75138 5.10496 9.89095 numMergedOcc 0
21 mol 98 unq 1 iso 0 dist 8.3505 7.34638 9.6331 10.4417 5.92242 7.02507 numMergedOcc 0
22 mol 98 unq 2 iso 0 dist 8.3505 7.34638 9.6331 11.3628 5.2571 12.7417 numMergedOcc 0
23 mol 98 unq 3 iso 0 dist 8.3505 7.34638 9.6331 13.9599 8.7497 17.1287 numMergedOcc 0
24 mol 98 unq 4 iso 0 dist 7.34638 8.3505 9.6331 10.4417 7.02507 5.92242 numMergedOcc 0
25 mol 98 unq 5 iso 0 dist 6.0995 9.25525 9.27688 9.63267 7.02507 15.731 numMergedOcc 0
26 mol 109 unq 0 iso 0 dist 9.94704 8.30089 8.76863 14.8479 9.89083 17.9851 numMergedOcc 0
27 mol 109 unq 1 iso 0 dist 9.94704 8.30089 8.76863 11.5656 8.52024 14.6042 numMergedOcc 0
28 mol 129 unq 0 iso 0 dist 6.53559 7.90844 9.74141 6.43966 5.51197 8.86944 numMergedOcc 0
29 mol 129 unq 1 iso 0 dist 7.90844 6.53559 9.74141 6.43966 8.86944 5.51197 numMergedOcc 0
30 mol 144 unq 0 iso 0 dist 7.46026 7.94971 3.61174 4.6812 7.64028 9.8872 numMergedOcc 0
31 mol 167 unq 0 iso 0 dist 8.77904 6.48993 3.55199 6.64464 7.68266 6.84752 numMergedOcc 0
32 mol 167 unq 1 iso 0 dist 8.77904 6.48993 3.55199 5.70785 7.6616 7.86563 numMergedOcc 0
33 mol 167 unq 2 iso 0 dist 8.77904 6.48993 3.55199 7.91498 9.2289 7.02548 numMergedOcc 0
34 mol 167 unq 3 iso 0 dist 6.48993 8.77904 3.55199 6.64464 6.84752 7.68266 numMergedOcc 0
35 mol 167 unq 4 iso 0 dist 6.48993 8.77904 3.55199 5.70785 7.86563 7.6616 numMergedOcc 0
36 mol 167 unq 5 iso 0 dist 6.48993 8.77904 3.55199 7.91498 7.02548 9.2289 numMergedOcc 0
37 mol 168 unq 0 iso 0 dist 7.30338 9.23064 13.6611 12.1014 6.02086 19.0785 numMergedOcc 0
38 mol 186 unq 0 iso 0 dist 6.52441 9.18289 8.40937 11.7795 7.2793 14.3269 numMergedOcc 0
39 mol 186 unq 1 iso 0 dist 6.52441 6.26168 5.08963 11.7795 7.2793 11.3216 numMergedOcc 0
40 mol 188 unq 0 iso 0 dist 7.6482 9.30803 3.68927 6.04074 7.88013 9.90062 numMergedOcc 0
41 mol 188 unq 1 iso 0 dist 9.30803 7.6482 3.68927 6.04074 9.90062 7.88013 numMergedOcc 0
42 mol 205 unq 0 iso 0 dist 5.06713 8.69512 8.2248 6.8901 6.49765 14.2129 numMergedOcc 0
43 mol 225 unq 0 iso 0 dist 7.25438 9.27308 9.25318 9.20928 8.14831 15.055 numMergedOcc 0
44 mol 233 unq 0 iso 0 dist 7.1229 8.7831 8.23358 6.52848 8.51625 14.3009 numMergedOcc 0
45 mol 233 unq 1 iso 0 dist 7.1229 9.61071 6.91967 6.52848 8.51625 14.2 numMergedOcc 0
46 mol 259 unq 0 iso 0 dist 4.95855 7.72489 3.51848 5.41945 5.85442 6.95511 numMergedOcc 0
47 mol 259 unq 1 iso 0 dist 4.95855 7.72489 3.51848 5.59901 6.9899 10.4017 numMergedOcc 0
48 mol 259 unq 2 iso 0 dist 7.72489 4.95855 3.51848 12.1767 9.46361 10.3406 numMergedOcc 0
49 mol 259 unq 3 iso 0 dist 7.72489 4.95855 3.51848 5.41945 6.95511 5.85442 numMergedOcc 0
50 mol 264 unq 0 iso 0 dist 9.13546 8.7365 5.23295 11.5671 9.19754 13.8802 numMergedOcc 0
51 mol 264 unq 1 iso 0 dist 9.13546 8.7365 5.23295 13.8765 8.29262 13.4196 numMergedOcc 0
52 mol 270 unq 0 iso 0 dist 6.46935 5.98384 5.42225 5.00269 9.31275 8.56508 numMergedOcc 0
53 mol 270 unq 1 iso 0 dist 5.98384 6.46935 5.42225 5.00269 8.56508 9.31275 numMergedOcc 0
54 mol 285 unq 0 iso 0 dist 5.09181 8.69325 6.22779 4.16039 7.80862 11.789 numMergedOcc 0
