0 mol 4 unq 0 iso 0 dist 6.12485 9.04027 9.77707 6.66589 6.56189 6.22773 numMergedOcc 0
1 mol 4 unq 0 iso 1 dist 9.04027 6.12485 9.77707 6.66589 6.22773 6.56189 numMergedOcc 0
2 mol 14 unq 0 iso 0 dist 9.42387 7.59564 8.47263 6.30573 5.55214 4.75873 numMergedOcc 0
3 mol 14 unq 0 iso 1 dist 7.59564 9.42387 8.47263 6.30573 4.75873 5.55214 numMergedOcc 0
4 mol 14 unq 1 iso 0 dist 9.42387 8.10957 11.5533 6.30573 5.55214 6.03847 numMergedOcc 0
5 mol 14 unq 1 iso 1 dist 8.10957 9.42387 11.5533 6.30573 6.03847 5.55214 numMergedOcc 0
6 mol 14 unq 1 iso 0 dist 7.59564 8.10957 5.82278 6.30573 4.75873 6.03847 numMergedOcc 0
7 mol 14 unq 1 iso 1 dist 8.10957 7.59564 5.82278 6.30573 6.03847 4.75873 numMergedOcc 0
8 mol 17 unq 0 iso 0 dist 9.5937 7.34681 11.0023 6.53817 10.1064 13.5023 numMergedOcc 0
9 mol 17 unq 0 iso 1 dist 7.34681 9.5937 11.0023 6.53817 13.5023 10.1064 numMergedOcc 0
10 mol 17 unq 1 iso 0 dist 9.5937 7.34681 11.0023 9.81769 11.3627 15.703 numMergedOcc 0
11 mol 17 unq 1 iso 1 dist 7.34681 9.5937 11.0023 9.81769 15.703 11.3627 numMergedOcc 0
12 mol 56 unq 0 iso 0 dist 9.06142 8.41264 6.73667 8.125 5.73783 10.7002 numMergedOcc 0
13 mol 56 unq 0 iso 1 dist 8.41264 9.06142 6.73667 8.125 10.7002 5.73783 numMergedOcc 0
14 mol 67 unq 0 iso 0 dist 8.27009 5.80736 8.61446 8.64208 13.0612 11.8891 numMergedOcc 0
15 mol 67 unq 0 iso 1 dist 5.80736 8.27009 8.61446 8.64208 11.8891 13.0612 numMergedOcc 0
16 mol 67 unq 1 iso 0 dist 8.27009 5.80736 8.61446 7.9572 10.6864 6.3173 numMergedOcc 0
17 mol 67 unq 1 iso 1 dist 5.80736 8.27009 8.61446 7.9572 6.3173 10.6864 numMergedOcc 0
18 mol 87 unq 0 iso 0 dist 9.90256 5.63748 10.445 5.26938 5.30415 5.507 numMergedOcc 0
19 mol 87 unq 0 iso 1 dist 5.63748 9.90256 10.445 5.26938 5.507 5.30415 numMergedOcc 0
20 mol 87 unq 1 iso 0 dist 9.90256 5.63748 10.445 8.91602 11.2095 7.26523 numMergedOcc 0
21 mol 87 unq 1 iso 1 dist 5.63748 9.90256 10.445 8.91602 7.26523 11.2095 numMergedOcc 0
22 mol 115 unq 0 iso 0 dist 8.80824 9.67606 6.10898 6.09472 6.80053 4.45342 numMergedOcc 0
23 mol 115 unq 0 iso 1 dist 9.67606 8.80824 6.10898 6.09472 4.45342 6.80053 numMergedOcc 0
24 mol 159 unq 0 iso 0 dist 9.54337 6.86212 9.76045 8.55431 12.3309 5.10423 numMergedOcc 0
25 mol 159 unq 0 iso 1 dist 6.86212 9.54337 9.76045 8.55431 5.10423 12.3309 numMergedOcc 0
26 mol 159 unq 1 iso 0 dist 9.54337 9.9368 14.3749 8.55431 12.3309 7.18851 numMergedOcc 0
27 mol 159 unq 1 iso 1 dist 9.9368 9.54337 14.3749 8.55431 7.18851 12.3309 numMergedOcc 0
28 mol 159 unq 1 iso 0 dist 6.86212 9.9368 4.82545 8.55431 5.10423 7.18851 numMergedOcc 0
29 mol 159 unq 1 iso 1 dist 9.9368 6.86212 4.82545 8.55431 7.18851 5.10423 numMergedOcc 0
30 mol 174 unq 0 iso 0 dist 7.27146 6.25798 8.45124 8.4931 4.74974 6.97243 numMergedOcc 0
31 mol 174 unq 0 iso 1 dist 6.25798 7.27146 8.45124 8.4931 6.97243 4.74974 numMergedOcc 0
32 mol 174 unq 1 iso 0 dist 8.16228 8.57467 5.33032 7.03029 4.69892 4.99043 numMergedOcc 0
33 mol 174 unq 1 iso 1 dist 8.57467 8.16228 5.33032 7.03029 4.99043 4.69892 numMergedOcc 0
34 mol 181 unq 0 iso 0 dist 8.92801 9.40718 12.0946 9.63295 9.40823 5.32364 numMergedOcc 0
35 mol 181 unq 0 iso 1 dist 9.40718 8.92801 12.0946 9.63295 5.32364 9.40823 numMergedOcc 0
36 mol 186 unq 0 iso 0 dist 6.72718 8.72949 10.4327 6.99623 5.25279 5.80721 numMergedOcc 0
37 mol 186 unq 0 iso 1 dist 8.72949 6.72718 10.4327 6.99623 5.80721 5.25279 numMergedOcc 0
38 mol 205 unq 0 iso 0 dist 4.81837 6.43519 9.98031 6.57849 5.47046 7.78052 numMergedOcc 0
39 mol 205 unq 0 iso 1 dist 6.43519 4.81837 9.98031 6.57849 7.78052 5.47046 numMergedOcc 0
40 mol 214 unq 0 iso 0 dist 5.86911 7.89258 5.68826 9.4835 13.1789 10.1543 numMergedOcc 0
41 mol 214 unq 0 iso 1 dist 7.89258 5.86911 5.68826 9.4835 10.1543 13.1789 numMergedOcc 0
42 mol 220 unq 0 iso 0 dist 9.89039 8.57174 15.5559 8.9077 13.6952 13.8822 numMergedOcc 0
43 mol 220 unq 0 iso 1 dist 8.57174 9.89039 15.5559 8.9077 13.8822 13.6952 numMergedOcc 0
44 mol 223 unq 0 iso 0 dist 6.97426 8.87456 4.71901 9.94212 15.9255 17.7343 numMergedOcc 0
45 mol 223 unq 0 iso 1 dist 8.87456 6.97426 4.71901 9.94212 17.7343 15.9255 numMergedOcc 0
46 mol 223 unq 1 iso 0 dist 6.97426 8.87456 4.71901 7.34316 8.64175 12.9895 numMergedOcc 0
47 mol 223 unq 1 iso 1 dist 8.87456 6.97426 4.71901 7.34316 12.9895 8.64175 numMergedOcc 0
48 mol 258 unq 0 iso 0 dist 9.48772 5.53369 9.10334 8.55181 5.84297 5.49492 numMergedOcc 0
49 mol 258 unq 0 iso 1 dist 5.53369 9.48772 9.10334 8.55181 5.49492 5.84297 numMergedOcc 0
50 mol 258 unq 1 iso 0 dist 9.48772 8.57274 10.4538 8.55181 5.84297 5.80854 numMergedOcc 0
51 mol 258 unq 1 iso 1 dist 8.57274 9.48772 10.4538 8.55181 5.80854 5.84297 numMergedOcc 0
52 mol 258 unq 1 iso 0 dist 5.53369 8.57274 6.94631 8.55181 5.49492 5.80854 numMergedOcc 0
53 mol 258 unq 1 iso 1 dist 8.57274 5.53369 6.94631 8.55181 5.80854 5.49492 numMergedOcc 0
54 mol 258 unq 2 iso 0 dist 8.10903 7.25618 5.31174 9.67877 13.3533 15.0574 numMergedOcc 0
55 mol 258 unq 2 iso 1 dist 7.25618 8.10903 5.31174 9.67877 15.0574 13.3533 numMergedOcc 0
56 mol 258 unq 3 iso 0 dist 8.10903 7.25618 5.31174 8.81059 5.90131 4.51422 numMergedOcc 0
57 mol 258 unq 3 iso 1 dist 7.25618 8.10903 5.31174 8.81059 4.51422 5.90131 numMergedOcc 0
58 mol 258 unq 4 iso 0 dist 8.10903 7.25618 5.31174 9.12006 9.68064 4.99997 numMergedOcc 0
59 mol 258 unq 4 iso 1 dist 7.25618 8.10903 5.31174 9.12006 4.99997 9.68064 numMergedOcc 0
60 mol 261 unq 0 iso 0 dist 7.58385 6.0437 5.29945 8.50313 6.88989 4.25662 numMergedOcc 0
61 mol 261 unq 0 iso 1 dist 6.0437 7.58385 5.29945 8.50313 4.25662 6.88989 numMergedOcc 0
62 mol 261 unq 1 iso 0 dist 4.85199 9.72159 10.4196 7.6414 4.25662 12.864 numMergedOcc 0
63 mol 261 unq 1 iso 1 dist 9.72159 4.85199 10.4196 7.6414 12.864 4.25662 numMergedOcc 0
64 mol 273 unq 0 iso 0 dist 5.78262 7.6489 8.60201 6.54753 4.77695 9.01117 numMergedOcc 0
65 mol 273 unq 0 iso 1 dist 7.6489 5.78262 8.60201 6.54753 9.01117 4.77695 numMergedOcc 0
