0 mol 56 unq 0 iso 0 dist 7.6585 8.70353 4.7418 11.6619 6.80741 8.63486 numMergedOcc 0
1 mol 56 unq 1 iso 0 dist 9.71282 8.70353 13.124 11.6619 18.7416 8.63486 numMergedOcc 0
2 mol 92 unq 0 iso 0 dist 8.19523 9.71837 13.0977 7.33832 14.2776 6.61823 numMergedOcc 0
3 mol 94 unq 0 iso 0 dist 9.12532 8.04916 7.68076 9.12104 14.4388 8.16733 numMergedOcc 0
4 mol 94 unq 1 iso 0 dist 9.12532 8.04916 7.68076 13.3759 14.7725 9.97569 numMergedOcc 0
5 mol 98 unq 0 iso 0 dist 6.9902 6.98059 6.4628 9.83687 6.67936 5.88354 numMergedOcc 0
6 mol 98 unq 1 iso 0 dist 6.9902 6.98059 6.4628 11.0059 10.4233 7.89665 numMergedOcc 0
7 mol 98 unq 2 iso 0 dist 6.9902 6.98059 6.4628 12.2571 10.7879 5.39354 numMergedOcc 0
8 mol 98 unq 3 iso 0 dist 6.9902 6.98059 6.4628 12.0258 8.25817 5.74854 numMergedOcc 0
9 mol 98 unq 4 iso 0 dist 6.9902 6.98059 6.4628 12.8848 14.7214 8.76566 numMergedOcc 0
10 mol 98 unq 5 iso 0 dist 6.9902 6.98059 6.4628 12.3945 15.072 8.8368 numMergedOcc 0
11 mol 98 unq 6 iso 0 dist 8.33541 5.63127 6.4628 10.6448 6.67936 5.88354 numMergedOcc 0
12 mol 98 unq 7 iso 0 dist 8.33541 5.63127 6.4628 13.4221 10.4233 7.89665 numMergedOcc 0
13 mol 98 unq 8 iso 0 dist 8.33541 5.63127 6.4628 7.96856 10.7879 5.39354 numMergedOcc 0
14 mol 98 unq 9 iso 0 dist 8.33541 5.63127 6.4628 5.58126 8.25817 5.74854 numMergedOcc 0
15 mol 98 unq 10 iso 0 dist 8.33541 5.63127 6.4628 12.7489 14.7214 8.76566 numMergedOcc 0
16 mol 98 unq 11 iso 0 dist 8.33541 5.63127 6.4628 9.77595 15.072 8.8368 numMergedOcc 0
17 mol 114 unq 0 iso 0 dist 9.79838 8.56617 5.83696 4.61737 11.293 9.7918 numMergedOcc 0
18 mol 119 unq 0 iso 0 dist 5.74521 9.69341 7.09096 7.79117 9.93703 7.99623 numMergedOcc 0
19 mol 120 unq 0 iso 0 dist 8.84548 9.67232 11.6676 10.2515 17.3849 8.93905 numMergedOcc 0
20 mol 154 unq 0 iso 0 dist 5.67578 6.89591 9.16009 10.8466 14.5291 7.72144 numMergedOcc 0
21 mol 156 unq 0 iso 0 dist 9.79737 6.23534 6.85562 14.9601 14.041 9.43259 numMergedOcc 0
22 mol 162 unq 0 iso 0 dist 9.22453 8.47144 7.70261 6.66205 10.7087 8.00506 numMergedOcc 0
23 mol 170 unq 0 iso 0 dist 7.70662 5.42919 4.77713 9.62818 11.2959 8.15099 numMergedOcc 0
24 mol 186 unq 0 iso 0 dist 9.43816 9.12102 6.46459 6.15341 11.1735 7.20574 numMergedOcc 0
25 mol 186 unq 1 iso 0 dist 9.43816 9.12102 6.46459 9.77429 12.6312 6.85302 numMergedOcc 0
26 mol 258 unq 0 iso 0 dist 8.94629 6.51617 6.31492 6.30874 5.81927 8.15467 numMergedOcc 0
27 mol 258 unq 1 iso 0 dist 8.94629 6.51617 6.31492 6.88723 6.09782 9.1925 numMergedOcc 0
28 mol 285 unq 0 iso 0 dist 9.5953 8.32103 11.6721 9.00041 15.4909 5.31728 numMergedOcc 0
29 mol 285 unq 1 iso 0 dist 8.64527 8.32103 11.6511 9.00041 13.8061 5.31728 numMergedOcc 0
30 mol 285 unq 2 iso 0 dist 9.0062 6.98595 6.93502 5.23192 8.71213 5.31728 numMergedOcc 0
31 mol 285 unq 3 iso 0 dist 8.72607 8.32103 6.93502 9.00041 8.71213 5.31728 numMergedOcc 0
32 mol 294 unq 0 iso 0 dist 5.85292 9.66445 6.08162 16.3624 12.3929 9.13907 numMergedOcc 0
