0 mol 45 unq 0 iso 0 dist 7.58835 7.2846 8.81358 6.89191 9.20119 12.1257 6.34173 5.67689 4.71384 8.59109 10.6216 10.7082 12.8618 5.55096 8.70414 numMergedOcc 0
1 mol 45 unq 1 iso 0 dist 7.58835 7.2846 8.81358 6.89191 9.20119 12.1257 14.4997 16.2375 18.248 8.13782 10.6216 10.7082 12.8618 5.55096 6.39184 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 7.32874 6.81627 5.47421 6.75888 6.40841 10.335 8.26899 4.55117 5.98837 8.80108 7.21955 7.12541 7.09066 8.71468 10.8421 numMergedOcc 0
3 mol 58 unq 1 iso 0 dist 7.32874 6.81627 5.47421 6.75888 6.40841 10.335 11.3177 5.64209 11.0512 6.50297 7.21955 7.12541 7.09066 8.71468 11.3634 numMergedOcc 0
4 mol 58 unq 2 iso 0 dist 7.32874 9.55426 5.90225 6.75888 6.40841 6.31428 8.26899 4.55117 10.3782 8.80108 7.21955 7.12541 5.74871 8.71468 10.8421 numMergedOcc 0
5 mol 58 unq 3 iso 0 dist 7.32874 9.55426 5.90225 6.75888 6.40841 6.31428 11.3177 5.64209 7.02095 6.50297 7.21955 7.12541 5.74871 8.71468 11.3634 numMergedOcc 0
6 mol 58 unq 4 iso 0 dist 6.86465 6.62496 5.30792 6.47744 8.63333 11.5023 12.4575 10.6476 15.4158 6.96494 8.80614 10.2049 9.95364 9.11258 13.4366 numMergedOcc 0
7 mol 58 unq 5 iso 0 dist 6.86465 6.62496 5.30792 6.47744 8.63333 11.5023 9.58673 5.92889 10.2241 7.01363 8.80614 10.2049 9.95364 9.11258 8.88332 numMergedOcc 0
8 mol 58 unq 6 iso 0 dist 6.86465 6.35756 5.35073 6.47744 8.63333 8.89374 12.4575 10.6476 12.7331 6.96494 8.80614 10.2049 5.49591 9.11258 13.4366 numMergedOcc 0
9 mol 58 unq 7 iso 0 dist 6.86465 6.35756 5.35073 6.47744 8.63333 8.89374 9.58673 5.92889 7.05413 7.01363 8.80614 10.2049 5.49591 9.11258 8.88332 numMergedOcc 0
10 mol 58 unq 8 iso 0 dist 6.35756 6.86465 5.35073 6.47744 8.89374 8.63333 12.4575 12.7331 10.6476 6.96494 8.80614 5.49591 10.2049 9.11258 13.4366 numMergedOcc 0
11 mol 58 unq 9 iso 0 dist 6.35756 6.86465 5.35073 6.47744 8.89374 8.63333 9.58673 7.05413 5.92889 7.01363 8.80614 5.49591 10.2049 9.11258 8.88332 numMergedOcc 0
12 mol 58 unq 10 iso 0 dist 6.35756 6.62496 4.81926 6.47744 8.89374 11.5023 12.4575 12.7331 15.4158 6.96494 8.80614 5.49591 9.95364 9.11258 13.4366 numMergedOcc 0
13 mol 58 unq 11 iso 0 dist 6.35756 6.62496 4.81926 6.47744 8.89374 11.5023 9.58673 7.05413 10.2241 7.01363 8.80614 5.49591 9.95364 9.11258 8.88332 numMergedOcc 0
14 mol 58 unq 12 iso 0 dist 6.64012 9.4099 6.47414 5.24906 6.46761 9.73139 9.89984 8.74789 7.02095 6.96494 9.86039 5.85698 12.2123 9.11258 13.4366 numMergedOcc 0
15 mol 58 unq 13 iso 0 dist 6.64012 9.4099 6.47414 5.24906 6.46761 9.73139 10.9283 6.61756 8.94672 7.01363 9.86039 5.85698 12.2123 9.11258 8.88332 numMergedOcc 0
16 mol 58 unq 14 iso 0 dist 6.64012 9.4099 6.47414 5.11205 7.58407 6.31428 13.7148 14.7581 10.3782 8.80108 12.3035 11.387 5.74871 8.71468 10.8421 numMergedOcc 0
17 mol 58 unq 15 iso 0 dist 6.64012 9.4099 6.47414 5.11205 7.58407 6.31428 9.89984 8.74789 7.02095 6.50297 12.3035 11.387 5.74871 8.71468 11.3634 numMergedOcc 0
18 mol 58 unq 16 iso 0 dist 9.4099 6.64012 6.47414 5.24906 9.73139 6.46761 9.89984 7.02095 8.74789 6.96494 9.86039 12.2123 5.85698 9.11258 13.4366 numMergedOcc 0
19 mol 58 unq 17 iso 0 dist 9.4099 6.64012 6.47414 5.24906 9.73139 6.46761 10.9283 8.94672 6.61756 7.01363 9.86039 12.2123 5.85698 9.11258 8.88332 numMergedOcc 0
20 mol 58 unq 18 iso 0 dist 9.4099 6.64012 6.47414 5.11205 6.31428 7.58407 13.7148 10.3782 14.7581 8.80108 12.3035 5.74871 11.387 8.71468 10.8421 numMergedOcc 0
21 mol 58 unq 19 iso 0 dist 9.4099 6.64012 6.47414 5.11205 6.31428 7.58407 9.89984 7.02095 8.74789 6.50297 12.3035 5.74871 11.387 8.71468 11.3634 numMergedOcc 0
22 mol 58 unq 20 iso 0 dist 9.55426 6.81627 9.7274 13.1021 9.73139 15.9764 11.3177 7.02095 11.0512 6.96494 18.8985 12.2123 21.5025 9.11258 13.4366 numMergedOcc 0
23 mol 58 unq 21 iso 0 dist 9.55426 6.81627 9.7274 13.1021 9.73139 15.9764 16.3779 8.94672 16.6063 7.01363 18.8985 12.2123 21.5025 9.11258 8.88332 numMergedOcc 0
24 mol 58 unq 22 iso 0 dist 9.55426 6.81627 9.7274 6.75888 6.31428 10.335 8.26899 10.3782 5.98837 8.80108 7.21955 5.74871 7.09066 8.71468 10.8421 numMergedOcc 0
25 mol 58 unq 23 iso 0 dist 9.55426 6.81627 9.7274 6.75888 6.31428 10.335 11.3177 7.02095 11.0512 6.50297 7.21955 5.74871 7.09066 8.71468 11.3634 numMergedOcc 0
26 mol 58 unq 24 iso 0 dist 9.55426 7.32874 5.90225 13.1021 9.73139 10.9482 11.3177 7.02095 5.64209 6.96494 18.8985 12.2123 16.7404 9.11258 13.4366 numMergedOcc 0
27 mol 58 unq 25 iso 0 dist 9.55426 7.32874 5.90225 13.1021 9.73139 10.9482 16.3779 8.94672 11.2323 7.01363 18.8985 12.2123 16.7404 9.11258 8.88332 numMergedOcc 0
28 mol 58 unq 26 iso 0 dist 9.55426 7.32874 5.90225 6.75888 6.31428 6.40841 8.26899 10.3782 4.55117 8.80108 7.21955 5.74871 7.12541 8.71468 10.8421 numMergedOcc 0
29 mol 58 unq 27 iso 0 dist 9.55426 7.32874 5.90225 6.75888 6.31428 6.40841 11.3177 7.02095 5.64209 6.50297 7.21955 5.74871 7.12541 8.71468 11.3634 numMergedOcc 0
30 mol 59 unq 0 iso 0 dist 7.71095 8.84665 12.5396 5.33688 6.71911 12.8699 8.24062 5.3525 11.0387 6.5096 6.73347 9.64444 4.36133 9.2902 7.0313 numMergedOcc 0
31 mol 59 unq 1 iso 0 dist 7.71095 8.25513 8.19458 5.33688 6.71911 11.6249 8.24062 5.3525 9.15805 6.5096 6.73347 9.64444 6.66692 9.2902 7.0313 numMergedOcc 0
32 mol 115 unq 0 iso 0 dist 9.33865 6.11741 8.02349 10.7942 7.76729 12.9821 12.0409 6.34759 10.1863 7.99631 13.3009 14.0688 16.1804 7.70313 11.4407 numMergedOcc 0
33 mol 115 unq 1 iso 0 dist 9.33865 6.11741 8.02349 10.7942 7.76729 12.9821 7.64585 10.2377 10.8939 6.40036 13.3009 14.0688 16.1804 7.70313 5.67953 numMergedOcc 0
34 mol 115 unq 2 iso 0 dist 9.33865 5.83991 7.69052 10.2377 7.64585 12.2309 7.76729 10.7942 10.9739 6.40036 12.125 6.40494 10.4285 7.52142 9.65908 numMergedOcc 0
35 mol 115 unq 3 iso 0 dist 5.83991 7.30858 10.8507 10.9739 7.76729 17.6696 11.8557 6.34759 16.5921 7.99631 17.0848 14.0688 24.0778 7.70313 11.4407 numMergedOcc 0
36 mol 115 unq 4 iso 0 dist 5.83991 7.30858 10.8507 10.9739 7.76729 17.6696 12.2309 10.2377 19.2193 6.40036 17.0848 14.0688 24.0778 7.70313 5.67953 numMergedOcc 0
37 mol 115 unq 5 iso 0 dist 5.83991 7.88312 8.02349 10.9739 7.76729 12.9821 11.8557 6.34759 10.1863 7.99631 17.0848 14.0688 16.1804 7.70313 11.4407 numMergedOcc 0
38 mol 115 unq 6 iso 0 dist 5.83991 7.88312 8.02349 10.9739 7.76729 12.9821 12.2309 10.2377 10.8939 6.40036 17.0848 14.0688 16.1804 7.70313 5.67953 numMergedOcc 0
39 mol 115 unq 7 iso 0 dist 6.11741 7.88312 7.69052 10.8939 7.64585 12.2309 12.9821 10.7942 10.9739 6.40036 12.2743 6.40494 10.4285 7.52142 9.65908 numMergedOcc 0
40 mol 133 unq 0 iso 0 dist 8.00618 6.29155 11.965 12.2037 7.92688 17.2931 19.3117 11.8989 23.8203 9.94276 13.5028 5.92062 17.8146 6.51868 6.00607 numMergedOcc 0
41 mol 133 unq 1 iso 0 dist 8.00618 6.29155 11.965 12.2037 7.92688 17.2931 19.3117 11.8989 23.8203 9.94276 11.8433 6.61891 14.4607 7.34698 12.0514 numMergedOcc 0
42 mol 133 unq 2 iso 0 dist 8.00618 6.29155 11.965 12.2037 7.92688 17.2931 20.5979 15.0734 26 9.05357 13.5028 5.92062 17.8146 6.51868 10.2267 numMergedOcc 0
43 mol 133 unq 3 iso 0 dist 8.00618 6.29155 11.965 12.2037 7.92688 17.2931 20.5979 15.0734 26 9.05357 11.8433 6.61891 14.4607 7.34698 14.5639 numMergedOcc 0
44 mol 133 unq 4 iso 0 dist 8.00618 6.29155 11.965 12.2037 7.92688 17.2931 16.126 9.58627 20.0398 5.99299 13.5028 5.92062 17.8146 6.51868 5.59913 numMergedOcc 0
45 mol 133 unq 5 iso 0 dist 8.00618 6.29155 11.965 12.2037 7.92688 17.2931 16.126 9.58627 20.0398 5.99299 11.8433 6.61891 14.4607 7.34698 6.27692 numMergedOcc 0
46 mol 133 unq 6 iso 0 dist 8.00618 6.80239 7.79672 12.2037 7.92688 15.1694 19.3117 11.8989 18.9016 9.94276 13.5028 5.92062 13.262 6.51868 6.00607 numMergedOcc 0
47 mol 133 unq 7 iso 0 dist 8.00618 6.80239 7.79672 12.2037 7.92688 15.1694 19.3117 11.8989 18.9016 9.94276 11.8433 6.61891 13.1361 7.34698 12.0514 numMergedOcc 0
48 mol 133 unq 8 iso 0 dist 8.00618 6.80239 7.79672 12.2037 7.92688 15.1694 20.5979 15.0734 22.3983 9.05357 13.5028 5.92062 13.262 6.51868 10.2267 numMergedOcc 0
49 mol 133 unq 9 iso 0 dist 8.00618 6.80239 7.79672 12.2037 7.92688 15.1694 20.5979 15.0734 22.3983 9.05357 11.8433 6.61891 13.1361 7.34698 14.5639 numMergedOcc 0
50 mol 133 unq 10 iso 0 dist 8.00618 6.80239 7.79672 12.2037 7.92688 15.1694 16.126 9.58627 17.3115 5.99299 13.5028 5.92062 13.262 6.51868 5.59913 numMergedOcc 0
51 mol 133 unq 11 iso 0 dist 8.00618 6.80239 7.79672 12.2037 7.92688 15.1694 16.126 9.58627 17.3115 5.99299 11.8433 6.61891 13.1361 7.34698 6.27692 numMergedOcc 0
52 mol 155 unq 0 iso 0 dist 6.23493 7.46303 5.71071 6.3845 7.16254 9.14392 9.17284 4.9093 6.3437 6.51096 10.9606 10.4923 6.89781 9.0529 7.6506 numMergedOcc 0
53 mol 155 unq 1 iso 0 dist 6.23493 7.46303 5.71071 6.3845 7.16254 9.14392 13.2459 10.7896 9.99927 8.73171 10.9606 10.4923 6.89781 9.0529 6.00473 numMergedOcc 0
54 mol 155 unq 2 iso 0 dist 6.23493 7.46303 5.71071 5.86939 9.86313 7.51198 12.1081 13.5062 8.27726 7.37901 12.2416 11.0769 5.50031 9.80845 5.50045 numMergedOcc 0
55 mol 155 unq 3 iso 0 dist 6.23493 7.46303 5.71071 5.86939 9.86313 7.51198 12.1081 13.5062 8.27726 7.37901 10.9606 10.4923 6.89781 7.55196 6.40403 numMergedOcc 0
56 mol 155 unq 4 iso 0 dist 7.46303 6.23493 5.71071 6.3845 9.14392 7.16254 9.17284 6.3437 4.9093 6.51096 10.9606 6.89781 10.4923 9.0529 7.6506 numMergedOcc 0
57 mol 155 unq 5 iso 0 dist 7.46303 6.23493 5.71071 6.3845 9.14392 7.16254 13.2459 9.99927 10.7896 8.73171 10.9606 6.89781 10.4923 9.0529 6.00473 numMergedOcc 0
58 mol 155 unq 6 iso 0 dist 7.46303 6.23493 5.71071 5.86939 7.51198 9.86313 12.1081 8.27726 13.5062 7.37901 12.2416 5.50031 11.0769 9.80845 5.50045 numMergedOcc 0
59 mol 155 unq 7 iso 0 dist 7.46303 6.23493 5.71071 5.86939 7.51198 9.86313 12.1081 8.27726 13.5062 7.37901 10.9606 6.89781 10.4923 7.55196 6.40403 numMergedOcc 0
60 mol 156 unq 0 iso 0 dist 8.94056 7.66148 10.1658 8.67156 6.27641 10.9818 13.1853 6.29785 15.7866 6.90155 7.90267 5.4555 6.03934 5.81122 10.143 numMergedOcc 0
61 mol 175 unq 0 iso 0 dist 9.0018 7.652 7.42466 8.22779 9.8589 7.24908 9.31887 11.0415 5.0384 4.79852 10.4182 8.29015 4.63177 5.4997 4.30489 numMergedOcc 0
62 mol 175 unq 1 iso 0 dist 9.0018 7.652 7.42466 8.22779 9.8589 7.24908 9.31887 11.0415 5.0384 4.79852 13.5281 14.7282 9.30597 6.99693 4.57622 numMergedOcc 0
63 mol 175 unq 2 iso 0 dist 7.652 9.0018 7.42466 8.22779 7.24908 9.8589 9.31887 5.0384 11.0415 4.79852 10.4182 4.63177 8.29015 5.4997 4.30489 numMergedOcc 0
64 mol 175 unq 3 iso 0 dist 7.652 9.0018 7.42466 8.22779 7.24908 9.8589 9.31887 5.0384 11.0415 4.79852 13.5281 9.30597 14.7282 6.99693 4.57622 numMergedOcc 0
65 mol 175 unq 4 iso 0 dist 5.6234 9.92231 7.42466 10.5631 9.8589 7.24908 12.816 11.0415 5.0384 4.79852 11.6765 8.29015 4.63177 5.4997 4.30489 numMergedOcc 0
66 mol 175 unq 5 iso 0 dist 5.6234 9.92231 7.42466 10.5631 9.8589 7.24908 12.816 11.0415 5.0384 4.79852 16.8306 14.7282 9.30597 6.99693 4.57622 numMergedOcc 0
67 mol 175 unq 6 iso 0 dist 9.92231 5.6234 7.42466 10.5631 7.24908 9.8589 12.816 5.0384 11.0415 4.79852 11.6765 4.63177 8.29015 5.4997 4.30489 numMergedOcc 0
68 mol 175 unq 7 iso 0 dist 9.92231 5.6234 7.42466 10.5631 7.24908 9.8589 12.816 5.0384 11.0415 4.79852 16.8306 9.30597 14.7282 6.99693 4.57622 numMergedOcc 0
69 mol 181 unq 0 iso 0 dist 9.1374 8.03334 13.2049 6.25083 6.94688 12.1309 13.2702 8.25067 19.5806 8.20656 6.2479 6.6251 7.81713 9.06217 14.048 numMergedOcc 0
70 mol 181 unq 1 iso 0 dist 9.1374 8.03334 13.2049 4.77278 6.71012 12.2058 13.2702 8.25067 19.5806 9.40622 6.2479 6.6251 7.81713 7.13252 14.048 numMergedOcc 0
71 mol 181 unq 2 iso 0 dist 5.98885 9.09537 10.1912 5.86342 6.94688 14.4632 10.8351 8.25067 17.441 8.20656 7.99195 6.6251 10.09 9.06217 14.048 numMergedOcc 0
72 mol 181 unq 3 iso 0 dist 5.98885 9.09537 10.1912 9.14057 6.71012 15.4777 10.8351 8.25067 17.441 9.40622 7.99195 6.6251 10.09 7.13252 14.048 numMergedOcc 0
73 mol 181 unq 4 iso 0 dist 9.15386 9.1374 12.1628 8.25067 9.6668 13.2702 6.94688 6.80228 6.25083 8.20656 8.90963 9.34211 8.91338 5.95304 4.43678 numMergedOcc 0
74 mol 181 unq 5 iso 0 dist 9.15386 9.1374 12.1628 8.25067 9.6668 13.2702 6.71012 11.6919 4.77278 9.40622 8.90963 9.34211 8.91338 5.95304 6.03415 numMergedOcc 0
75 mol 181 unq 6 iso 0 dist 9.15386 5.98885 5.16002 8.25067 9.6668 10.8351 6.94688 6.80228 5.86342 8.20656 8.90963 9.34211 9.81073 5.95304 4.43678 numMergedOcc 0
76 mol 181 unq 7 iso 0 dist 9.15386 5.98885 5.16002 8.25067 9.6668 10.8351 6.71012 11.6919 9.14057 9.40622 8.90963 9.34211 9.81073 5.95304 6.03415 numMergedOcc 0
77 mol 227 unq 0 iso 0 dist 7.22101 9.34734 6.99063 6.43754 8.17891 12.4085 12.3856 13.3557 14.7498 7.95168 5.41321 10.9607 10.7656 7.57454 9.75331 numMergedOcc 0
78 mol 227 unq 1 iso 0 dist 7.22101 8.65997 5.22356 6.43754 8.17891 6.95902 12.3856 13.3557 8.8709 7.95168 5.41321 10.9607 9.72615 7.57454 9.75331 numMergedOcc 0
79 mol 227 unq 2 iso 0 dist 7.22101 7.56888 10.8658 6.43754 8.17891 11.004 12.3856 13.3557 12.0094 7.95168 5.41321 10.9607 5.10635 7.57454 9.75331 numMergedOcc 0
80 mol 227 unq 3 iso 0 dist 7.22101 7.55216 12.4689 6.43754 8.17891 12.8864 12.3856 13.3557 15.5877 7.95168 5.41321 10.9607 6.48027 7.57454 9.75331 numMergedOcc 0
81 mol 227 unq 4 iso 0 dist 8.65997 9.34734 7.60506 6.43754 6.95902 12.4085 12.3856 8.8709 14.7498 7.95168 5.41321 9.72615 10.7656 7.57454 9.75331 numMergedOcc 0
82 mol 227 unq 5 iso 0 dist 8.65997 7.22101 5.22356 6.43754 6.95902 8.17891 12.3856 8.8709 13.3557 7.95168 5.41321 9.72615 10.9607 7.57454 9.75331 numMergedOcc 0
83 mol 227 unq 6 iso 0 dist 8.65997 7.56888 9.70012 6.43754 6.95902 11.004 12.3856 8.8709 12.0094 7.95168 5.41321 9.72615 5.10635 7.57454 9.75331 numMergedOcc 0
84 mol 227 unq 7 iso 0 dist 8.65997 7.55216 12.9332 6.43754 6.95902 12.8864 12.3856 8.8709 15.5877 7.95168 5.41321 9.72615 6.48027 7.57454 9.75331 numMergedOcc 0
85 mol 234 unq 0 iso 0 dist 9.45496 6.56247 5.88703 15.9563 9.5707 10.3388 15.004 5.56749 10.6156 8.49841 17.6227 10.0059 13.8349 7.43663 7.17691 numMergedOcc 0
86 mol 234 unq 1 iso 0 dist 9.45496 6.56247 5.88703 15.9563 9.5707 10.3388 17.6567 12.1076 15.0456 9.6101 17.6227 10.0059 13.8349 7.43663 4.51304 numMergedOcc 0
87 mol 234 unq 2 iso 0 dist 6.7625 9.36357 5.88703 14.4106 9.5707 10.3388 10.8628 5.56749 10.6156 8.49841 12.6238 10.0059 13.8349 7.43663 7.17691 numMergedOcc 0
88 mol 234 unq 3 iso 0 dist 6.7625 9.36357 5.88703 14.4106 9.5707 10.3388 12.6312 12.1076 15.0456 9.6101 12.6238 10.0059 13.8349 7.43663 4.51304 numMergedOcc 0
