0 mol 4 unq 0 iso 0 dist 9.4539 6.47964 13.2947 5.30385 7.87155 8.55937 numMergedOcc 0
1 mol 4 unq 0 iso 1 dist 6.47964 9.4539 13.2947 5.30385 8.55937 7.87155 numMergedOcc 0
2 mol 4 unq 1 iso 0 dist 9.4539 6.47964 13.2947 9.77024 12.4212 5.48752 numMergedOcc 0
3 mol 4 unq 1 iso 1 dist 6.47964 9.4539 13.2947 9.77024 5.48752 12.4212 numMergedOcc 0
4 mol 4 unq 2 iso 0 dist 9.4539 9.50144 17.7473 5.30385 7.87155 11.5141 numMergedOcc 0
5 mol 4 unq 2 iso 1 dist 9.50144 9.4539 17.7473 5.30385 11.5141 7.87155 numMergedOcc 0
6 mol 4 unq 3 iso 0 dist 9.4539 9.50144 17.7473 9.77024 12.4212 10.0111 numMergedOcc 0
7 mol 4 unq 3 iso 1 dist 9.50144 9.4539 17.7473 9.77024 10.0111 12.4212 numMergedOcc 0
8 mol 4 unq 2 iso 0 dist 6.47964 9.50144 5.15137 5.30385 8.55937 11.5141 numMergedOcc 0
9 mol 4 unq 2 iso 1 dist 9.50144 6.47964 5.15137 5.30385 11.5141 8.55937 numMergedOcc 0
10 mol 4 unq 3 iso 0 dist 6.47964 9.50144 5.15137 9.77024 5.48752 10.0111 numMergedOcc 0
11 mol 4 unq 3 iso 1 dist 9.50144 6.47964 5.15137 9.77024 10.0111 5.48752 numMergedOcc 0
12 mol 10 unq 0 iso 0 dist 8.03458 8.2106 10.4382 9.03951 11.04 9.13852 numMergedOcc 0
13 mol 10 unq 0 iso 1 dist 8.2106 8.03458 10.4382 9.03951 9.13852 11.04 numMergedOcc 0
14 mol 17 unq 0 iso 0 dist 9.5937 7.34681 11.0023 9.78918 14.6638 16.9932 numMergedOcc 0
15 mol 17 unq 0 iso 1 dist 7.34681 9.5937 11.0023 9.78918 16.9932 14.6638 numMergedOcc 0
16 mol 17 unq 1 iso 0 dist 9.5937 7.34681 11.0023 6.80314 12.7368 13.5569 numMergedOcc 0
17 mol 17 unq 1 iso 1 dist 7.34681 9.5937 11.0023 6.80314 13.5569 12.7368 numMergedOcc 0
18 mol 67 unq 0 iso 0 dist 6.12267 8.43162 9.42543 7.41937 4.26531 11.1043 numMergedOcc 0
19 mol 67 unq 0 iso 1 dist 8.43162 6.12267 9.42543 7.41937 11.1043 4.26531 numMergedOcc 0
20 mol 67 unq 1 iso 0 dist 6.12267 8.43162 9.42543 6.07108 6.56501 12.2002 numMergedOcc 0
21 mol 67 unq 1 iso 1 dist 8.43162 6.12267 9.42543 6.07108 12.2002 6.56501 numMergedOcc 0
22 mol 67 unq 2 iso 0 dist 8.27009 5.80736 8.61446 9.42982 14.2762 7.47077 numMergedOcc 0
23 mol 67 unq 2 iso 1 dist 5.80736 8.27009 8.61446 9.42982 7.47077 14.2762 numMergedOcc 0
24 mol 67 unq 3 iso 0 dist 8.27009 5.80736 8.61446 8.17929 4.26531 5.92208 numMergedOcc 0
25 mol 67 unq 3 iso 1 dist 5.80736 8.27009 8.61446 8.17929 5.92208 4.26531 numMergedOcc 0
26 mol 67 unq 4 iso 0 dist 8.27009 5.80736 8.61446 5.63802 6.56501 4.53519 numMergedOcc 0
27 mol 67 unq 4 iso 1 dist 5.80736 8.27009 8.61446 5.63802 4.53519 6.56501 numMergedOcc 0
28 mol 73 unq 0 iso 0 dist 7.58027 4.34694 3.73929 6.82707 12.5165 10.5011 numMergedOcc 0
29 mol 73 unq 0 iso 1 dist 4.34694 7.58027 3.73929 6.82707 10.5011 12.5165 numMergedOcc 0
30 mol 116 unq 0 iso 0 dist 6.53824 6.61973 4.48374 9.2638 10.5909 6.2875 numMergedOcc 0
31 mol 116 unq 0 iso 1 dist 6.61973 6.53824 4.48374 9.2638 6.2875 10.5909 numMergedOcc 0
32 mol 174 unq 0 iso 0 dist 7.27146 6.25798 8.45124 5.07761 4.80246 9.44119 numMergedOcc 0
33 mol 174 unq 0 iso 1 dist 6.25798 7.27146 8.45124 5.07761 9.44119 4.80246 numMergedOcc 0
34 mol 204 unq 0 iso 0 dist 6.20044 8.41232 6.2357 9.23676 4.92804 5.04697 numMergedOcc 0
35 mol 204 unq 0 iso 1 dist 8.41232 6.20044 6.2357 9.23676 5.04697 4.92804 numMergedOcc 0
36 mol 220 unq 0 iso 0 dist 9.89039 8.57174 15.5559 7.46122 9.36068 15.6078 numMergedOcc 0
37 mol 220 unq 0 iso 1 dist 8.57174 9.89039 15.5559 7.46122 15.6078 9.36068 numMergedOcc 0
38 mol 220 unq 1 iso 0 dist 5.25149 8.6368 11.0459 8.75712 10.8928 4.03653 numMergedOcc 0
39 mol 220 unq 1 iso 1 dist 8.6368 5.25149 11.0459 8.75712 4.03653 10.8928 numMergedOcc 0
40 mol 244 unq 0 iso 0 dist 7.43391 7.79787 12.5222 9.97458 16.3 4.89551 numMergedOcc 0
41 mol 244 unq 0 iso 1 dist 7.79787 7.43391 12.5222 9.97458 4.89551 16.3 numMergedOcc 0
42 mol 261 unq 0 iso 0 dist 4.85199 9.72159 10.4196 6.45102 5.52134 7.0673 numMergedOcc 0
43 mol 261 unq 0 iso 1 dist 9.72159 4.85199 10.4196 6.45102 7.0673 5.52134 numMergedOcc 0
44 mol 261 unq 1 iso 0 dist 9.13604 6.89731 10.4196 9.20425 5.52134 7.0673 numMergedOcc 0
45 mol 261 unq 1 iso 1 dist 6.89731 9.13604 10.4196 9.20425 7.0673 5.52134 numMergedOcc 0
46 mol 261 unq 2 iso 0 dist 9.13604 9.85607 10.8346 9.20425 5.52134 9.06697 numMergedOcc 0
47 mol 261 unq 2 iso 1 dist 9.85607 9.13604 10.8346 9.20425 9.06697 5.52134 numMergedOcc 0
48 mol 261 unq 2 iso 0 dist 6.89731 9.85607 5.65316 9.20425 7.0673 9.06697 numMergedOcc 0
49 mol 261 unq 2 iso 1 dist 9.85607 6.89731 5.65316 9.20425 9.06697 7.0673 numMergedOcc 0
50 mol 273 unq 0 iso 0 dist 5.78262 7.6489 8.60201 9.57659 12.1916 5.91118 numMergedOcc 0
51 mol 273 unq 0 iso 1 dist 7.6489 5.78262 8.60201 9.57659 5.91118 12.1916 numMergedOcc 0
52 mol 273 unq 1 iso 0 dist 5.78262 7.6489 8.60201 7.8424 7.70478 4.59769 numMergedOcc 0
53 mol 273 unq 1 iso 1 dist 7.6489 5.78262 8.60201 7.8424 4.59769 7.70478 numMergedOcc 0
54 mol 282 unq 0 iso 0 dist 8.54984 6.04225 5.72971 8.42086 6.45254 4.0078 numMergedOcc 0
55 mol 282 unq 0 iso 1 dist 6.04225 8.54984 5.72971 8.42086 4.0078 6.45254 numMergedOcc 0
56 mol 282 unq 1 iso 0 dist 5.00258 9.98886 10.6828 7.84236 4.0078 12.9261 numMergedOcc 0
57 mol 282 unq 1 iso 1 dist 9.98886 5.00258 10.6828 7.84236 12.9261 4.0078 numMergedOcc 0
58 mol 285 unq 0 iso 0 dist 7.872 6.32984 8.70014 6.46935 9.75573 5.78887 numMergedOcc 0
59 mol 285 unq 0 iso 1 dist 6.32984 7.872 8.70014 6.46935 5.78887 9.75573 numMergedOcc 0
