0 mol 24 unq 0 iso 0 dist 6.36381 8.6586 3.67206 5.80023 7.27472 10.551 9.49646 3.73215 5.75365 8.87744 numMergedOcc 0
1 mol 78 unq 0 iso 0 dist 7.32064 8.48827 6.99884 7.17843 6.85523 7.91148 5.85007 8.2592 4.75637 5.77326 numMergedOcc 0
2 mol 78 unq 1 iso 0 dist 7.32064 8.48827 6.99884 13.1649 8.65848 12.2138 14.2511 7.95975 14.1409 7.25801 numMergedOcc 0
3 mol 78 unq 2 iso 0 dist 7.32064 7.14048 3.75261 7.17843 6.85523 6.59794 5.85007 8.2592 5.62063 5.77326 numMergedOcc 0
4 mol 78 unq 3 iso 0 dist 7.32064 7.14048 3.75261 13.1649 8.65848 10.167 14.2511 7.95975 11.1725 7.25801 numMergedOcc 0
5 mol 78 unq 4 iso 0 dist 4.62314 8.03895 6.99884 4.4651 6.85523 7.91148 6.35234 8.2592 4.75637 5.77326 numMergedOcc 0
6 mol 78 unq 5 iso 0 dist 4.62314 8.03895 6.99884 9.31889 8.65848 12.2138 10.6907 7.95975 14.1409 7.25801 numMergedOcc 0
7 mol 78 unq 6 iso 0 dist 4.62314 5.68873 3.75261 4.4651 6.85523 6.59794 6.35234 8.2592 5.62063 5.77326 numMergedOcc 0
8 mol 78 unq 7 iso 0 dist 4.62314 5.68873 3.75261 9.31889 8.65848 10.167 10.6907 7.95975 11.1725 7.25801 numMergedOcc 0
9 mol 78 unq 8 iso 0 dist 5.85007 8.48827 4.75637 7.17843 5.77326 7.91148 7.32064 8.2592 6.99884 6.85523 numMergedOcc 0
10 mol 78 unq 9 iso 0 dist 5.85007 7.14048 5.62063 7.17843 5.77326 6.59794 7.32064 8.2592 3.75261 6.85523 numMergedOcc 0
11 mol 78 unq 10 iso 0 dist 6.35234 8.03895 4.75637 4.4651 5.77326 7.91148 4.62314 8.2592 6.99884 6.85523 numMergedOcc 0
12 mol 78 unq 11 iso 0 dist 6.35234 5.68873 5.62063 4.4651 5.77326 6.59794 4.62314 8.2592 3.75261 6.85523 numMergedOcc 0
13 mol 98 unq 0 iso 0 dist 8.3505 9.68556 17.213 10.4417 5.92242 17.4636 7.34638 9.6331 11.0062 7.02507 numMergedOcc 0
14 mol 98 unq 1 iso 0 dist 8.3505 9.68556 17.213 11.3628 5.2571 18.9347 14.2657 6.70343 23.5796 7.54889 numMergedOcc 0
15 mol 98 unq 2 iso 0 dist 8.3505 9.68556 17.213 13.9599 8.7497 21.7256 14.2657 6.70343 23.5796 7.78931 numMergedOcc 0
16 mol 98 unq 3 iso 0 dist 7.34638 9.68556 11.0062 10.4417 7.02507 17.4636 8.3505 9.6331 17.213 5.92242 numMergedOcc 0
17 mol 109 unq 0 iso 0 dist 6.67635 6.3323 3.54756 10.0698 7.86666 9.82677 13.1156 7.49425 9.79375 6.29161 numMergedOcc 0
18 mol 129 unq 0 iso 0 dist 6.53559 7.04904 12.7725 6.43966 5.51197 13.0143 8.23699 5.94312 12.5711 6.69691 numMergedOcc 0
19 mol 129 unq 1 iso 0 dist 6.53559 7.04904 12.7725 6.43966 5.51197 13.0143 7.90844 9.74141 9.39617 8.86944 numMergedOcc 0
20 mol 129 unq 2 iso 0 dist 6.53559 5.06053 10.2785 6.43966 5.51197 10.4172 8.23699 5.94312 9.49478 6.69691 numMergedOcc 0
21 mol 129 unq 3 iso 0 dist 6.53559 5.06053 10.2785 6.43966 5.51197 10.4172 7.90844 9.74141 6.48525 8.86944 numMergedOcc 0
22 mol 129 unq 4 iso 0 dist 8.09774 7.84813 9.87781 5.56946 5.51197 7.97548 11.4776 5.94312 9.74071 6.69691 numMergedOcc 0
23 mol 129 unq 5 iso 0 dist 8.09774 7.84813 9.87781 5.56946 5.51197 7.97548 14.427 9.74141 13.8096 8.86944 numMergedOcc 0
24 mol 129 unq 6 iso 0 dist 7.90844 7.04904 9.39617 6.43966 8.86944 13.0143 6.53559 9.74141 12.7725 5.51197 numMergedOcc 0
25 mol 129 unq 7 iso 0 dist 7.90844 7.04904 9.39617 6.43966 8.86944 13.0143 8.23699 5.35495 12.5711 6.69691 numMergedOcc 0
26 mol 129 unq 8 iso 0 dist 7.90844 5.06053 6.48525 6.43966 8.86944 10.4172 6.53559 9.74141 10.2785 5.51197 numMergedOcc 0
27 mol 129 unq 9 iso 0 dist 7.90844 5.06053 6.48525 6.43966 8.86944 10.4172 8.23699 5.35495 9.49478 6.69691 numMergedOcc 0
28 mol 184 unq 0 iso 0 dist 8.27396 9.10344 3.30691 4.41193 5.96423 8.22001 10.1839 5.33725 3.88698 8.97589 numMergedOcc 0
29 mol 186 unq 0 iso 0 dist 6.52441 6.99587 4.75583 11.7795 7.2793 11.8448 8.16639 3.47886 4.75565 9.51091 numMergedOcc 0
30 mol 186 unq 1 iso 0 dist 6.52441 6.99587 4.75583 11.7795 7.2793 11.8448 18.1478 12.5618 15.7717 7.85184 numMergedOcc 0
31 mol 186 unq 2 iso 0 dist 6.52441 4.37577 3.11607 11.7795 7.2793 10.0218 8.16639 3.47886 4.73434 9.51091 numMergedOcc 0
32 mol 186 unq 3 iso 0 dist 6.52441 4.37577 3.11607 11.7795 7.2793 10.0218 18.1478 12.5618 15.2174 7.85184 numMergedOcc 0
33 mol 188 unq 0 iso 0 dist 7.6482 8.85223 3.42559 6.04074 7.88013 7.86092 9.30803 3.68927 6.93096 9.90062 numMergedOcc 0
34 mol 188 unq 1 iso 0 dist 9.30803 8.85223 6.93096 6.04074 9.90062 7.86092 7.6482 3.68927 3.42559 7.88013 numMergedOcc 0
35 mol 270 unq 0 iso 0 dist 6.46935 7.97614 7.2389 5.00269 9.31275 8.65354 5.98384 5.42225 3.30547 8.56508 numMergedOcc 0
36 mol 270 unq 1 iso 0 dist 5.98384 7.97614 3.30547 5.00269 8.56508 8.65354 6.46935 5.42225 7.2389 9.31275 numMergedOcc 0
37 mol 274 unq 0 iso 0 dist 4.97796 9.82713 10.6981 4.56913 6.4611 13.2967 8.97249 13.5848 16.3841 9.30212 numMergedOcc 0
