0 mol 4 unq 0 iso 0 dist 6.12485 9.04027 9.77707 6.66589 6.56189 6.22773 7.88748 4.10578 6.87439 4.90612 numMergedOcc 0
1 mol 4 unq 0 iso 1 dist 9.04027 6.12485 9.77707 6.66589 6.22773 6.56189 7.88748 6.87439 4.10578 4.90612 numMergedOcc 0
2 mol 17 unq 0 iso 0 dist 9.5937 7.34681 11.0023 6.53817 10.1064 13.5023 8.6745 3.79709 11.8805 8.25879 numMergedOcc 0
3 mol 17 unq 0 iso 1 dist 7.34681 9.5937 11.0023 6.53817 13.5023 10.1064 8.6745 11.8805 3.79709 8.25879 numMergedOcc 0
4 mol 17 unq 1 iso 0 dist 9.5937 7.34681 11.0023 9.81769 11.3627 15.703 8.6745 3.79709 11.8805 10.9688 numMergedOcc 0
5 mol 17 unq 1 iso 1 dist 7.34681 9.5937 11.0023 9.81769 15.703 11.3627 8.6745 11.8805 3.79709 10.9688 numMergedOcc 0
6 mol 56 unq 0 iso 0 dist 9.06142 8.41264 6.73667 8.125 5.73783 10.7002 6.34748 9.83589 12.3293 5.16401 numMergedOcc 0
7 mol 56 unq 0 iso 1 dist 8.41264 9.06142 6.73667 8.125 10.7002 5.73783 6.34748 12.3293 9.83589 5.16401 numMergedOcc 0
8 mol 56 unq 1 iso 0 dist 9.06142 8.41264 6.73667 8.125 5.73783 10.7002 8.25594 13.3076 9.40102 13.2675 numMergedOcc 0
9 mol 56 unq 1 iso 1 dist 8.41264 9.06142 6.73667 8.125 10.7002 5.73783 8.25594 9.40102 13.3076 13.2675 numMergedOcc 0
10 mol 67 unq 0 iso 0 dist 8.27009 5.80736 8.61446 8.64208 13.0612 11.8891 6.44825 11.2455 3.83735 13.625 numMergedOcc 0
11 mol 67 unq 0 iso 1 dist 5.80736 8.27009 8.61446 8.64208 11.8891 13.0612 6.44825 3.83735 11.2455 13.625 numMergedOcc 0
12 mol 67 unq 1 iso 0 dist 8.27009 5.80736 8.61446 7.9572 10.6864 6.3173 6.44825 11.2455 3.83735 9.25732 numMergedOcc 0
13 mol 67 unq 1 iso 1 dist 5.80736 8.27009 8.61446 7.9572 6.3173 10.6864 6.44825 3.83735 11.2455 9.25732 numMergedOcc 0
14 mol 181 unq 0 iso 0 dist 8.92801 9.40718 12.0946 9.63295 9.40823 5.32364 8.39573 3.97523 9.76508 5.93724 numMergedOcc 0
15 mol 181 unq 0 iso 1 dist 9.40718 8.92801 12.0946 9.63295 5.32364 9.40823 8.39573 9.76508 3.97523 5.93724 numMergedOcc 0
16 mol 205 unq 0 iso 0 dist 4.81837 6.43519 9.98031 6.57849 5.47046 7.78052 5.63283 4.7106 10.4922 6.37317 numMergedOcc 0
17 mol 205 unq 0 iso 1 dist 6.43519 4.81837 9.98031 6.57849 7.78052 5.47046 5.63283 10.4922 4.7106 6.37317 numMergedOcc 0
18 mol 214 unq 0 iso 0 dist 5.86911 7.89258 5.68826 9.4835 13.1789 10.1543 8.44407 4.54444 5.33718 13.9529 numMergedOcc 0
19 mol 214 unq 0 iso 1 dist 7.89258 5.86911 5.68826 9.4835 10.1543 13.1789 8.44407 5.33718 4.54444 13.9529 numMergedOcc 0
20 mol 214 unq 1 iso 0 dist 5.86911 7.89258 5.68826 9.4835 13.1789 10.1543 6.0155 7.05353 5.12324 8.52282 numMergedOcc 0
21 mol 214 unq 1 iso 1 dist 7.89258 5.86911 5.68826 9.4835 10.1543 13.1789 6.0155 5.12324 7.05353 8.52282 numMergedOcc 0
22 mol 214 unq 2 iso 0 dist 5.86911 7.89258 5.68826 9.4835 13.1789 10.1543 8.89981 12.9344 12.8738 8.48942 numMergedOcc 0
23 mol 214 unq 2 iso 1 dist 7.89258 5.86911 5.68826 9.4835 10.1543 13.1789 8.89981 12.8738 12.9344 8.48942 numMergedOcc 0
24 mol 223 unq 0 iso 0 dist 6.97426 8.87456 4.71901 9.94212 15.9255 17.7343 7.5808 9.46802 13.1129 9.46742 numMergedOcc 0
25 mol 223 unq 0 iso 1 dist 8.87456 6.97426 4.71901 9.94212 17.7343 15.9255 7.5808 13.1129 9.46802 9.46742 numMergedOcc 0
26 mol 223 unq 1 iso 0 dist 6.97426 8.87456 4.71901 7.34316 8.64175 12.9895 7.5808 9.46802 13.1129 5.30405 numMergedOcc 0
27 mol 223 unq 1 iso 1 dist 8.87456 6.97426 4.71901 7.34316 12.9895 8.64175 7.5808 13.1129 9.46802 5.30405 numMergedOcc 0
28 mol 258 unq 0 iso 0 dist 9.48772 5.53369 9.10334 8.55181 5.84297 5.49492 9.81589 9.73819 8.86983 10.9591 numMergedOcc 0
29 mol 258 unq 0 iso 1 dist 5.53369 9.48772 9.10334 8.55181 5.49492 5.84297 9.81589 8.86983 9.73819 10.9591 numMergedOcc 0
30 mol 258 unq 1 iso 0 dist 9.48772 8.57274 10.4538 8.55181 5.84297 5.80854 9.81589 9.73819 15.1125 10.9591 numMergedOcc 0
31 mol 258 unq 1 iso 1 dist 8.57274 9.48772 10.4538 8.55181 5.80854 5.84297 9.81589 15.1125 9.73819 10.9591 numMergedOcc 0
32 mol 258 unq 1 iso 0 dist 5.53369 8.57274 6.94631 8.55181 5.49492 5.80854 9.81589 8.86983 15.1125 10.9591 numMergedOcc 0
33 mol 258 unq 1 iso 1 dist 8.57274 5.53369 6.94631 8.55181 5.80854 5.49492 9.81589 15.1125 8.86983 10.9591 numMergedOcc 0
34 mol 258 unq 2 iso 0 dist 8.10903 7.25618 5.31174 9.67877 13.3533 15.0574 9.6327 8.78474 11.3267 6.95359 numMergedOcc 0
35 mol 258 unq 2 iso 1 dist 7.25618 8.10903 5.31174 9.67877 15.0574 13.3533 9.6327 11.3267 8.78474 6.95359 numMergedOcc 0
36 mol 258 unq 3 iso 0 dist 8.10903 7.25618 5.31174 8.81059 5.90131 4.51422 9.6327 8.78474 11.3267 13.987 numMergedOcc 0
37 mol 258 unq 3 iso 1 dist 7.25618 8.10903 5.31174 8.81059 4.51422 5.90131 9.6327 11.3267 8.78474 13.987 numMergedOcc 0
38 mol 258 unq 4 iso 0 dist 8.10903 7.25618 5.31174 9.12006 9.68064 4.99997 9.6327 8.78474 11.3267 15.8856 numMergedOcc 0
39 mol 258 unq 4 iso 1 dist 7.25618 8.10903 5.31174 9.12006 4.99997 9.68064 9.6327 11.3267 8.78474 15.8856 numMergedOcc 0
40 mol 273 unq 0 iso 0 dist 5.78262 7.6489 8.60201 6.54753 4.77695 9.01117 8.66133 5.53908 12.7274 4.24707 numMergedOcc 0
41 mol 273 unq 0 iso 1 dist 7.6489 5.78262 8.60201 6.54753 9.01117 4.77695 8.66133 12.7274 5.53908 4.24707 numMergedOcc 0
42 mol 273 unq 1 iso 0 dist 5.78262 7.6489 8.60201 6.54753 4.77695 9.01117 6.95569 12.7125 10.8576 12.634 numMergedOcc 0
43 mol 273 unq 1 iso 1 dist 7.6489 5.78262 8.60201 6.54753 9.01117 4.77695 6.95569 10.8576 12.7125 12.634 numMergedOcc 0
