0 mol 19 unq 0 iso 0 dist 6.864 7.20519 7.07775 4.54938 5.80928 7.34551 10.0411 7.7312 14.2009 10.1278 numMergedOcc 0
1 mol 19 unq 0 iso 1 dist 6.864 4.54938 5.80928 7.20519 7.07775 7.34551 10.0411 7.7312 10.1278 14.2009 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 6.20293 5.73819 5.06502 8.93915 6.45462 5.89973 14.0654 9.02471 13.9823 13.2795 numMergedOcc 0
3 mol 43 unq 0 iso 1 dist 6.20293 8.93915 6.45462 5.73819 5.06502 5.89973 14.0654 9.02471 13.2795 13.9823 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 6.81627 7.32874 5.47421 9.55426 9.7274 5.90225 4.25144 7.4785 6.39747 10.307 numMergedOcc 0
5 mol 58 unq 0 iso 1 dist 6.81627 9.55426 9.7274 7.32874 5.47421 5.90225 4.25144 7.4785 10.307 6.39747 numMergedOcc 0
6 mol 58 unq 1 iso 0 dist 7.32874 6.81627 5.47421 9.55426 5.90225 9.7274 8.44881 8.34191 12.1872 9.79064 numMergedOcc 0
7 mol 58 unq 1 iso 1 dist 7.32874 9.55426 5.90225 6.81627 5.47421 9.7274 8.44881 8.34191 9.79064 12.1872 numMergedOcc 0
8 mol 58 unq 2 iso 0 dist 7.32874 6.81627 5.47421 9.55426 5.90225 9.7274 4.25144 6.39747 7.4785 10.307 numMergedOcc 0
9 mol 58 unq 2 iso 1 dist 7.32874 9.55426 5.90225 6.81627 5.47421 9.7274 4.25144 6.39747 10.307 7.4785 numMergedOcc 0
10 mol 58 unq 3 iso 0 dist 6.86465 6.62496 5.30792 6.35756 5.35073 4.81926 4.59417 9.23438 9.9105 7.17488 numMergedOcc 0
11 mol 58 unq 3 iso 1 dist 6.86465 6.35756 5.35073 6.62496 5.30792 4.81926 4.59417 9.23438 7.17488 9.9105 numMergedOcc 0
12 mol 58 unq 4 iso 0 dist 6.35756 6.86465 5.35073 6.62496 4.81926 5.30792 4.59417 7.17488 9.23438 9.9105 numMergedOcc 0
13 mol 58 unq 4 iso 1 dist 6.35756 6.62496 4.81926 6.86465 5.35073 5.30792 4.59417 7.17488 9.9105 9.23438 numMergedOcc 0
14 mol 73 unq 0 iso 0 dist 9.38498 9.96396 15.7123 9.75218 13.7412 12.016 4.73407 6.23522 11.3218 12.8353 numMergedOcc 0
15 mol 73 unq 0 iso 1 dist 9.38498 9.75218 13.7412 9.96396 15.7123 12.016 4.73407 6.23522 12.8353 11.3218 numMergedOcc 0
16 mol 73 unq 1 iso 0 dist 8.70481 9.96396 14.9342 6.19304 13.3558 5.4148 15.1432 7.37171 21.1182 19.3924 numMergedOcc 0
17 mol 73 unq 1 iso 1 dist 8.70481 6.19304 13.3558 9.96396 14.9342 5.4148 15.1432 7.37171 19.3924 21.1182 numMergedOcc 0
18 mol 75 unq 0 iso 0 dist 7.79912 8.56639 5.64643 8.59017 10.4899 7.00674 4.74027 9.16597 11.7473 13.2779 numMergedOcc 0
19 mol 75 unq 0 iso 1 dist 7.79912 8.59017 10.4899 8.56639 5.64643 7.00674 4.74027 9.16597 13.2779 11.7473 numMergedOcc 0
20 mol 85 unq 0 iso 0 dist 7.95579 6.19965 4.26409 7.66905 10.7229 6.9948 8.37717 9.01812 9.90583 15.0494 numMergedOcc 0
21 mol 85 unq 0 iso 1 dist 7.95579 7.66905 10.7229 6.19965 4.26409 6.9948 8.37717 9.01812 15.0494 9.90583 numMergedOcc 0
22 mol 85 unq 1 iso 0 dist 7.66905 7.47541 5.42586 5.73196 10.1164 6.87425 14.113 8.04242 11.5901 17.4114 numMergedOcc 0
23 mol 85 unq 1 iso 1 dist 7.66905 5.73196 10.1164 7.47541 5.42586 6.87425 14.113 8.04242 17.4114 11.5901 numMergedOcc 0
24 mol 95 unq 0 iso 0 dist 9.03572 8.83255 6.59319 8.03644 16.6055 13.8105 4.73066 7.51733 9.01607 11.5898 numMergedOcc 0
25 mol 95 unq 0 iso 1 dist 9.03572 8.03644 16.6055 8.83255 6.59319 13.8105 4.73066 7.51733 11.5898 9.01607 numMergedOcc 0
26 mol 95 unq 1 iso 0 dist 8.83255 9.03572 6.59319 8.03644 13.8105 16.6055 4.73066 9.01607 7.51733 11.5898 numMergedOcc 0
27 mol 95 unq 1 iso 1 dist 8.83255 8.03644 13.8105 9.03572 6.59319 16.6055 4.73066 9.01607 11.5898 7.51733 numMergedOcc 0
28 mol 131 unq 0 iso 0 dist 6.85062 8.40312 10.7062 7.12972 6.63273 5.55373 11.6692 8.80895 17.775 12.9064 numMergedOcc 0
29 mol 131 unq 0 iso 1 dist 6.85062 7.12972 6.63273 8.40312 10.7062 5.55373 11.6692 8.80895 12.9064 17.775 numMergedOcc 0
30 mol 142 unq 0 iso 0 dist 9.2313 7.73169 5.50998 8.96657 11.1395 5.92693 4.05822 8.04118 8.39035 11.6454 numMergedOcc 0
31 mol 142 unq 0 iso 1 dist 9.2313 8.96657 11.1395 7.73169 5.50998 5.92693 4.05822 8.04118 11.6454 8.39035 numMergedOcc 0
32 mol 142 unq 1 iso 0 dist 7.73169 9.2313 5.50998 8.96657 5.92693 11.1395 4.05822 8.39035 8.04118 11.6454 numMergedOcc 0
33 mol 142 unq 1 iso 1 dist 7.73169 8.96657 5.92693 9.2313 5.50998 11.1395 4.05822 8.39035 11.6454 8.04118 numMergedOcc 0
34 mol 152 unq 0 iso 0 dist 5.87555 6.70283 5.42328 8.67331 5.54906 6.4896 4.68615 6.79114 10.338 10.3706 numMergedOcc 0
35 mol 152 unq 0 iso 1 dist 5.87555 8.67331 5.54906 6.70283 5.42328 6.4896 4.68615 6.79114 10.3706 10.338 numMergedOcc 0
36 mol 152 unq 1 iso 0 dist 5.87555 6.70283 5.42328 8.67331 5.54906 6.4896 4.73288 7.59457 9.00072 7.55419 numMergedOcc 0
37 mol 152 unq 1 iso 1 dist 5.87555 8.67331 5.54906 6.70283 5.42328 6.4896 4.73288 7.59457 7.55419 9.00072 numMergedOcc 0
38 mol 152 unq 2 iso 0 dist 8.87437 7.16148 5.42328 8.05741 5.54906 6.4896 9.35878 6.79114 10.338 10.3706 numMergedOcc 0
39 mol 152 unq 2 iso 1 dist 8.87437 8.05741 5.54906 7.16148 5.42328 6.4896 9.35878 6.79114 10.3706 10.338 numMergedOcc 0
40 mol 152 unq 3 iso 0 dist 8.87437 7.16148 5.42328 8.05741 5.54906 6.4896 4.70284 7.59457 9.00072 7.55419 numMergedOcc 0
41 mol 152 unq 3 iso 1 dist 8.87437 8.05741 5.54906 7.16148 5.42328 6.4896 4.70284 7.59457 7.55419 9.00072 numMergedOcc 0
42 mol 152 unq 4 iso 0 dist 8.56324 6.70283 7.65448 7.16148 10.6875 5.49936 9.73449 7.55934 11.2397 15.1951 numMergedOcc 0
43 mol 152 unq 4 iso 1 dist 8.56324 7.16148 10.6875 6.70283 7.65448 5.49936 9.73449 7.55934 15.1951 11.2397 numMergedOcc 0
44 mol 152 unq 5 iso 0 dist 6.70283 5.87555 5.42328 8.67331 6.4896 5.54906 4.73288 9.00072 7.59457 7.55419 numMergedOcc 0
45 mol 152 unq 5 iso 1 dist 6.70283 8.67331 6.4896 5.87555 5.42328 5.54906 4.73288 9.00072 7.55419 7.59457 numMergedOcc 0
46 mol 152 unq 6 iso 0 dist 7.16148 8.87437 5.42328 8.05741 6.4896 5.54906 4.70284 9.00072 7.59457 7.55419 numMergedOcc 0
47 mol 152 unq 6 iso 1 dist 7.16148 8.05741 6.4896 8.87437 5.42328 5.54906 4.70284 9.00072 7.55419 7.59457 numMergedOcc 0
48 mol 152 unq 7 iso 0 dist 8.67331 5.87555 5.54906 6.70283 6.4896 5.42328 4.73288 7.55419 7.59457 9.00072 numMergedOcc 0
49 mol 152 unq 7 iso 1 dist 8.67331 6.70283 6.4896 5.87555 5.54906 5.42328 4.73288 7.55419 9.00072 7.59457 numMergedOcc 0
50 mol 152 unq 8 iso 0 dist 8.05741 8.87437 5.54906 7.16148 6.4896 5.42328 4.70284 7.55419 7.59457 9.00072 numMergedOcc 0
51 mol 152 unq 8 iso 1 dist 8.05741 7.16148 6.4896 8.87437 5.54906 5.42328 4.70284 7.55419 9.00072 7.59457 numMergedOcc 0
52 mol 205 unq 0 iso 0 dist 7.26832 6.03031 7.38516 7.80463 13.8543 8.18714 13.3822 7.13783 13.3708 20.4298 numMergedOcc 0
53 mol 205 unq 0 iso 1 dist 7.26832 7.80463 13.8543 6.03031 7.38516 8.18714 13.3822 7.13783 20.4298 13.3708 numMergedOcc 0
54 mol 248 unq 0 iso 0 dist 7.69895 7.21521 5.55137 8.2965 10.8081 5.86196 6.19721 7.79063 9.64778 11.1716 numMergedOcc 0
55 mol 248 unq 0 iso 1 dist 7.69895 8.2965 10.8081 7.21521 5.55137 5.86196 6.19721 7.79063 11.1716 9.64778 numMergedOcc 0
56 mol 248 unq 1 iso 0 dist 7.21521 7.69895 5.55137 8.2965 5.86196 10.8081 6.19721 9.64778 7.79063 11.1716 numMergedOcc 0
57 mol 248 unq 1 iso 1 dist 7.21521 8.2965 5.86196 7.69895 5.55137 10.8081 6.19721 9.64778 11.1716 7.79063 numMergedOcc 0
