0 mol 4 unq 0 iso 0 dist 6.12485 6.66589 6.56189 7.88748 4.10578 4.90612 numMergedOcc 0
1 mol 4 unq 1 iso 0 dist 9.04027 6.66589 6.22773 7.88748 6.87439 4.90612 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 7.38748 6.22892 5.0893 9.96415 4.65291 6.88805 numMergedOcc 0
3 mol 17 unq 0 iso 0 dist 9.5937 6.53817 10.1064 8.6745 3.79709 8.25879 numMergedOcc 0
4 mol 17 unq 1 iso 0 dist 9.5937 9.81769 11.3627 8.6745 3.79709 10.9688 numMergedOcc 0
5 mol 17 unq 2 iso 0 dist 7.34681 6.53817 13.5023 8.6745 11.8805 8.25879 numMergedOcc 0
6 mol 17 unq 3 iso 0 dist 7.34681 9.81769 15.703 8.6745 11.8805 10.9688 numMergedOcc 0
7 mol 21 unq 0 iso 0 dist 8.07914 8.85347 4.964 7.30688 10.1117 7.08873 numMergedOcc 0
8 mol 21 unq 1 iso 0 dist 8.07914 8.85347 4.964 6.70786 9.53082 11.1907 numMergedOcc 0
9 mol 21 unq 2 iso 0 dist 8.07914 8.85347 4.964 8.16395 9.20888 9.73407 numMergedOcc 0
10 mol 24 unq 0 iso 0 dist 7.69637 6.85331 9.1927 8.14598 5.37421 5.69214 numMergedOcc 0
11 mol 48 unq 0 iso 0 dist 9.53081 5.36645 12.299 6.68961 5.93341 7.14094 numMergedOcc 0
12 mol 48 unq 1 iso 0 dist 5.06188 8.89758 4.6365 7.78899 4.55422 6.474 numMergedOcc 0
13 mol 53 unq 0 iso 0 dist 6.70095 8.94173 7.7232 9.73556 6.98415 5.62731 numMergedOcc 0
14 mol 56 unq 0 iso 0 dist 9.06142 8.125 5.73783 6.34748 9.83589 5.16401 numMergedOcc 0
15 mol 56 unq 1 iso 0 dist 9.06142 8.125 5.73783 8.25594 13.3076 13.2675 numMergedOcc 0
16 mol 56 unq 2 iso 0 dist 8.41264 8.125 10.7002 6.34748 12.3293 5.16401 numMergedOcc 0
17 mol 56 unq 3 iso 0 dist 8.41264 8.125 10.7002 8.25594 9.40102 13.2675 numMergedOcc 0
18 mol 64 unq 0 iso 0 dist 8.86433 9.10915 14.8927 9.899 4.63989 13.4227 numMergedOcc 0
19 mol 64 unq 1 iso 0 dist 8.86433 7.02352 6.15294 9.899 4.63989 4.70856 numMergedOcc 0
20 mol 67 unq 0 iso 0 dist 8.27009 7.9572 10.6864 6.44825 11.2455 9.25732 numMergedOcc 0
21 mol 67 unq 1 iso 0 dist 8.27009 8.64208 13.0612 6.44825 11.2455 13.625 numMergedOcc 0
22 mol 67 unq 2 iso 0 dist 5.80736 7.9572 6.3173 6.44825 3.83735 9.25732 numMergedOcc 0
23 mol 67 unq 3 iso 0 dist 5.80736 8.64208 11.8891 6.44825 3.83735 13.625 numMergedOcc 0
24 mol 71 unq 0 iso 0 dist 8.92529 8.21553 6.10737 7.50921 7.78799 10.9021 numMergedOcc 0
25 mol 71 unq 1 iso 0 dist 8.92529 8.22762 6.78097 7.50921 7.78799 5.93189 numMergedOcc 0
26 mol 76 unq 0 iso 0 dist 7.48127 4.83274 10.6009 6.97936 6.1999 6.77898 numMergedOcc 0
27 mol 162 unq 0 iso 0 dist 6.59407 9.42819 9.00663 6.51243 3.95884 5.65603 numMergedOcc 0
28 mol 168 unq 0 iso 0 dist 9.11481 8.8573 5.06947 7.337 4.66376 4.16504 numMergedOcc 0
29 mol 168 unq 1 iso 0 dist 7.41092 9.35182 5.06947 9.08906 4.66376 4.16504 numMergedOcc 0
30 mol 171 unq 0 iso 0 dist 6.19457 6.01711 6.89436 9.67711 10.9652 7.5383 numMergedOcc 0
31 mol 181 unq 0 iso 0 dist 8.92801 9.63295 9.40823 8.39573 3.97523 5.93724 numMergedOcc 0
32 mol 181 unq 1 iso 0 dist 9.40718 9.63295 5.32364 8.39573 9.76508 5.93724 numMergedOcc 0
33 mol 198 unq 0 iso 0 dist 9.87574 7.24395 10.0277 7.7619 4.58443 7.07534 numMergedOcc 0
34 mol 205 unq 0 iso 0 dist 4.81837 6.57849 5.47046 5.63283 4.7106 6.37317 numMergedOcc 0
35 mol 205 unq 1 iso 0 dist 6.43519 6.57849 7.78052 5.63283 10.4922 6.37317 numMergedOcc 0
36 mol 214 unq 0 iso 0 dist 5.86911 9.4835 13.1789 8.44407 4.54444 13.9529 numMergedOcc 0
37 mol 214 unq 1 iso 0 dist 5.86911 9.4835 13.1789 6.0155 7.05353 8.52282 numMergedOcc 0
38 mol 214 unq 2 iso 0 dist 5.86911 9.4835 13.1789 8.89981 12.9344 8.48942 numMergedOcc 0
39 mol 214 unq 3 iso 0 dist 7.89258 9.4835 10.1543 8.44407 5.33718 13.9529 numMergedOcc 0
40 mol 214 unq 4 iso 0 dist 7.89258 9.4835 10.1543 6.0155 5.12324 8.52282 numMergedOcc 0
41 mol 214 unq 5 iso 0 dist 7.89258 9.4835 10.1543 8.89981 12.8738 8.48942 numMergedOcc 0
42 mol 220 unq 0 iso 0 dist 6.39087 7.30244 12.2765 8.63649 4.4227 14.9028 numMergedOcc 0
43 mol 220 unq 1 iso 0 dist 6.39087 7.29796 13.2427 8.63649 4.4227 14.1071 numMergedOcc 0
44 mol 223 unq 0 iso 0 dist 6.97426 9.94212 15.9255 7.5808 9.46802 9.46742 numMergedOcc 0
45 mol 223 unq 1 iso 0 dist 6.97426 7.34316 8.64175 7.5808 9.46802 5.30405 numMergedOcc 0
46 mol 223 unq 2 iso 0 dist 8.87456 9.94212 17.7343 7.5808 13.1129 9.46742 numMergedOcc 0
47 mol 223 unq 3 iso 0 dist 8.87456 7.34316 12.9895 7.5808 13.1129 5.30405 numMergedOcc 0
48 mol 236 unq 0 iso 0 dist 4.71683 6.73134 7.41812 9.67162 10.7395 4.66414 numMergedOcc 0
49 mol 258 unq 0 iso 0 dist 9.48772 8.55181 5.84297 9.81589 9.73819 10.9591 numMergedOcc 0
50 mol 258 unq 1 iso 0 dist 5.53369 8.55181 5.49492 9.81589 8.86983 10.9591 numMergedOcc 0
51 mol 258 unq 2 iso 0 dist 8.57274 8.55181 5.80854 9.81589 15.1125 10.9591 numMergedOcc 0
52 mol 258 unq 3 iso 0 dist 8.10903 9.67877 13.3533 9.6327 8.78474 6.95359 numMergedOcc 0
53 mol 258 unq 4 iso 0 dist 8.10903 8.81059 5.90131 9.6327 8.78474 13.987 numMergedOcc 0
54 mol 258 unq 5 iso 0 dist 8.10903 9.12006 9.68064 9.6327 8.78474 15.8856 numMergedOcc 0
55 mol 258 unq 6 iso 0 dist 7.25618 9.67877 15.0574 9.6327 11.3267 6.95359 numMergedOcc 0
56 mol 258 unq 7 iso 0 dist 7.25618 8.81059 4.51422 9.6327 11.3267 13.987 numMergedOcc 0
57 mol 258 unq 8 iso 0 dist 7.25618 9.12006 4.99997 9.6327 11.3267 15.8856 numMergedOcc 0
58 mol 273 unq 0 iso 0 dist 5.78262 6.54753 4.77695 8.66133 5.53908 4.24707 numMergedOcc 0
59 mol 273 unq 1 iso 0 dist 5.78262 6.54753 4.77695 6.95569 12.7125 12.634 numMergedOcc 0
60 mol 273 unq 2 iso 0 dist 7.6489 6.54753 9.01117 8.66133 12.7274 4.24707 numMergedOcc 0
61 mol 273 unq 3 iso 0 dist 7.6489 6.54753 9.01117 6.95569 10.8576 12.634 numMergedOcc 0
62 mol 277 unq 0 iso 0 dist 8.15119 9.84188 10.2486 9.91103 13.1828 19.0436 numMergedOcc 0
63 mol 277 unq 1 iso 0 dist 8.15119 9.84188 10.2486 7.0603 10.6994 15.7645 numMergedOcc 0
64 mol 277 unq 2 iso 0 dist 8.15119 8.35794 7.94155 9.91103 13.1828 17.6038 numMergedOcc 0
65 mol 277 unq 3 iso 0 dist 8.15119 8.35794 7.94155 7.0603 10.6994 14.772 numMergedOcc 0
66 mol 287 unq 0 iso 0 dist 6.45597 7.13655 5.37435 6.06665 5.19406 4.79186 numMergedOcc 0
67 mol 288 unq 0 iso 0 dist 6.45597 7.13655 5.37435 6.06665 5.19406 4.79186 numMergedOcc 0
68 mol 289 unq 0 iso 0 dist 6.45597 7.13655 5.37435 6.06665 5.19406 4.79186 numMergedOcc 0
