0 mol 58 unq 0 iso 0 dist 9.4099 9.55426 10.6169 9.73139 5.24906 13.1021 6.47414 6.64012 13.4544 6.46761 7.02095 9.89984 11.3177 6.96494 8.74789 12.2123 9.86039 18.8985 9.11258 5.85698 13.4366 numMergedOcc 0
1 mol 58 unq 1 iso 0 dist 9.4099 9.55426 10.6169 9.73139 5.24906 13.1021 6.47414 6.64012 13.4544 6.46761 8.94672 10.9283 16.3779 7.01363 6.61756 12.2123 9.86039 18.8985 9.11258 5.85698 8.88332 numMergedOcc 0
2 mol 58 unq 2 iso 0 dist 9.4099 9.55426 10.6169 6.31428 5.11205 6.75888 6.47414 6.64012 13.4544 7.58407 10.3782 13.7148 8.26899 8.80108 14.7581 5.74871 12.3035 7.21955 8.71468 11.387 10.8421 numMergedOcc 0
3 mol 58 unq 3 iso 0 dist 9.4099 9.55426 10.6169 6.31428 5.11205 6.75888 6.47414 6.64012 13.4544 7.58407 7.02095 9.89984 11.3177 6.50297 8.74789 5.74871 12.3035 7.21955 8.71468 11.387 11.3634 numMergedOcc 0
4 mol 58 unq 4 iso 0 dist 9.55426 9.4099 10.6169 9.73139 13.1021 5.24906 9.7274 6.81627 15.2973 15.9764 7.02095 11.3177 9.89984 6.96494 11.0512 12.2123 18.8985 9.86039 9.11258 21.5025 13.4366 numMergedOcc 0
5 mol 58 unq 5 iso 0 dist 9.55426 9.4099 10.6169 9.73139 13.1021 5.24906 9.7274 6.81627 15.2973 15.9764 8.94672 16.3779 10.9283 7.01363 16.6063 12.2123 18.8985 9.86039 9.11258 21.5025 8.88332 numMergedOcc 0
6 mol 58 unq 6 iso 0 dist 9.55426 9.4099 10.6169 9.73139 13.1021 5.24906 5.90225 7.32874 11.396 10.9482 7.02095 11.3177 9.89984 6.96494 5.64209 12.2123 18.8985 9.86039 9.11258 16.7404 13.4366 numMergedOcc 0
7 mol 58 unq 7 iso 0 dist 9.55426 9.4099 10.6169 9.73139 13.1021 5.24906 5.90225 7.32874 11.396 10.9482 8.94672 16.3779 10.9283 7.01363 11.2323 12.2123 18.8985 9.86039 9.11258 16.7404 8.88332 numMergedOcc 0
8 mol 58 unq 8 iso 0 dist 9.55426 9.4099 10.6169 6.31428 6.75888 5.11205 9.7274 6.81627 15.2973 10.335 10.3782 8.26899 13.7148 8.80108 5.98837 5.74871 7.21955 12.3035 8.71468 7.09066 10.8421 numMergedOcc 0
9 mol 58 unq 9 iso 0 dist 9.55426 9.4099 10.6169 6.31428 6.75888 5.11205 9.7274 6.81627 15.2973 10.335 7.02095 11.3177 9.89984 6.50297 11.0512 5.74871 7.21955 12.3035 8.71468 7.09066 11.3634 numMergedOcc 0
10 mol 58 unq 10 iso 0 dist 9.55426 9.4099 10.6169 6.31428 6.75888 5.11205 5.90225 7.32874 11.396 6.40841 10.3782 8.26899 13.7148 8.80108 4.55117 5.74871 7.21955 12.3035 8.71468 7.12541 10.8421 numMergedOcc 0
11 mol 58 unq 11 iso 0 dist 9.55426 9.4099 10.6169 6.31428 6.75888 5.11205 5.90225 7.32874 11.396 6.40841 7.02095 11.3177 9.89984 6.50297 5.64209 5.74871 7.21955 12.3035 8.71468 7.12541 11.3634 numMergedOcc 0
12 mol 59 unq 0 iso 0 dist 7.71095 6.85766 10.0246 6.71911 5.33688 7.29033 12.5396 8.84665 17.79 12.8699 5.3525 8.24062 10.6318 6.5096 11.0387 9.64444 6.73347 14.8852 9.2902 4.36133 7.0313 numMergedOcc 0
13 mol 59 unq 1 iso 0 dist 7.71095 6.85766 10.0246 6.71911 5.33688 7.29033 8.19458 8.25513 14.0127 11.6249 5.3525 8.24062 10.6318 6.5096 9.15805 9.64444 6.73347 14.8852 9.2902 6.66692 7.0313 numMergedOcc 0
14 mol 115 unq 0 iso 0 dist 9.33865 6.11741 8.02349 7.64585 10.2377 10.8939 7.69052 5.83991 7.88312 12.2309 10.7942 7.76729 12.9821 6.40036 10.9739 6.40494 12.125 12.2743 7.52142 10.4285 9.65908 numMergedOcc 0
15 mol 115 unq 1 iso 0 dist 9.33865 5.83991 7.69052 7.76729 10.7942 10.9739 8.02349 6.11741 7.88312 12.9821 6.34759 12.0409 11.8557 7.99631 10.1863 14.0688 13.3009 17.0848 7.70313 16.1804 11.4407 numMergedOcc 0
16 mol 115 unq 2 iso 0 dist 9.33865 5.83991 7.69052 7.76729 10.7942 10.9739 8.02349 6.11741 7.88312 12.9821 10.2377 7.64585 12.2309 6.40036 10.8939 14.0688 13.3009 17.0848 7.70313 16.1804 5.67953 numMergedOcc 0
17 mol 115 unq 3 iso 0 dist 5.83991 9.33865 7.69052 7.76729 10.9739 10.7942 10.8507 7.30858 13.8473 17.6696 6.34759 11.8557 12.0409 7.99631 16.5921 14.0688 17.0848 13.3009 7.70313 24.0778 11.4407 numMergedOcc 0
18 mol 115 unq 4 iso 0 dist 5.83991 9.33865 7.69052 7.76729 10.9739 10.7942 10.8507 7.30858 13.8473 17.6696 10.2377 12.2309 7.64585 6.40036 19.2193 14.0688 17.0848 13.3009 7.70313 24.0778 5.67953 numMergedOcc 0
19 mol 115 unq 5 iso 0 dist 5.83991 9.33865 7.69052 7.76729 10.9739 10.7942 8.02349 7.88312 6.11741 12.9821 6.34759 11.8557 12.0409 7.99631 10.1863 14.0688 17.0848 13.3009 7.70313 16.1804 11.4407 numMergedOcc 0
20 mol 115 unq 6 iso 0 dist 5.83991 9.33865 7.69052 7.76729 10.9739 10.7942 8.02349 7.88312 6.11741 12.9821 10.2377 12.2309 7.64585 6.40036 10.8939 14.0688 17.0848 13.3009 7.70313 16.1804 5.67953 numMergedOcc 0
21 mol 115 unq 7 iso 0 dist 6.11741 9.33865 8.02349 7.64585 10.8939 10.2377 7.69052 7.88312 5.83991 12.2309 10.7942 12.9821 7.76729 6.40036 10.9739 6.40494 12.2743 12.125 7.52142 10.4285 9.65908 numMergedOcc 0
22 mol 133 unq 0 iso 0 dist 8.00618 7.11802 8.18495 7.92688 12.2037 4.68409 11.965 6.29155 13.268 17.2931 11.8989 19.3117 14.0449 9.94276 23.8203 5.92062 13.5028 9.22661 6.51868 17.8146 6.00607 numMergedOcc 0
23 mol 133 unq 1 iso 0 dist 8.00618 7.11802 8.18495 7.92688 12.2037 4.68409 11.965 6.29155 13.268 17.2931 11.8989 19.3117 14.0449 9.94276 23.8203 6.61891 11.8433 7.56378 7.34698 14.4607 12.0514 numMergedOcc 0
24 mol 133 unq 2 iso 0 dist 8.00618 7.11802 8.18495 7.92688 12.2037 4.68409 11.965 6.29155 13.268 17.2931 15.0734 20.5979 13.5624 9.05357 26 5.92062 13.5028 9.22661 6.51868 17.8146 10.2267 numMergedOcc 0
25 mol 133 unq 3 iso 0 dist 8.00618 7.11802 8.18495 7.92688 12.2037 4.68409 11.965 6.29155 13.268 17.2931 15.0734 20.5979 13.5624 9.05357 26 6.61891 11.8433 7.56378 7.34698 14.4607 14.5639 numMergedOcc 0
26 mol 133 unq 4 iso 0 dist 8.00618 7.11802 8.18495 7.92688 12.2037 4.68409 11.965 6.29155 13.268 17.2931 9.58627 16.126 9.65709 5.99299 20.0398 5.92062 13.5028 9.22661 6.51868 17.8146 5.59913 numMergedOcc 0
27 mol 133 unq 5 iso 0 dist 8.00618 7.11802 8.18495 7.92688 12.2037 4.68409 11.965 6.29155 13.268 17.2931 9.58627 16.126 9.65709 5.99299 20.0398 6.61891 11.8433 7.56378 7.34698 14.4607 6.27692 numMergedOcc 0
28 mol 133 unq 6 iso 0 dist 8.00618 7.11802 8.18495 7.92688 12.2037 4.68409 7.79672 6.80239 12.6651 15.1694 11.8989 19.3117 14.0449 9.94276 18.9016 5.92062 13.5028 9.22661 6.51868 13.262 6.00607 numMergedOcc 0
29 mol 133 unq 7 iso 0 dist 8.00618 7.11802 8.18495 7.92688 12.2037 4.68409 7.79672 6.80239 12.6651 15.1694 11.8989 19.3117 14.0449 9.94276 18.9016 6.61891 11.8433 7.56378 7.34698 13.1361 12.0514 numMergedOcc 0
30 mol 133 unq 8 iso 0 dist 8.00618 7.11802 8.18495 7.92688 12.2037 4.68409 7.79672 6.80239 12.6651 15.1694 15.0734 20.5979 13.5624 9.05357 22.3983 5.92062 13.5028 9.22661 6.51868 13.262 10.2267 numMergedOcc 0
31 mol 133 unq 9 iso 0 dist 8.00618 7.11802 8.18495 7.92688 12.2037 4.68409 7.79672 6.80239 12.6651 15.1694 15.0734 20.5979 13.5624 9.05357 22.3983 6.61891 11.8433 7.56378 7.34698 13.1361 14.5639 numMergedOcc 0
32 mol 133 unq 10 iso 0 dist 8.00618 7.11802 8.18495 7.92688 12.2037 4.68409 7.79672 6.80239 12.6651 15.1694 9.58627 16.126 9.65709 5.99299 17.3115 5.92062 13.5028 9.22661 6.51868 13.262 5.59913 numMergedOcc 0
33 mol 133 unq 11 iso 0 dist 8.00618 7.11802 8.18495 7.92688 12.2037 4.68409 7.79672 6.80239 12.6651 15.1694 9.58627 16.126 9.65709 5.99299 17.3115 6.61891 11.8433 7.56378 7.34698 13.1361 6.27692 numMergedOcc 0
34 mol 155 unq 0 iso 0 dist 7.46303 6.43582 7.66392 9.14392 6.3845 12.1814 5.71071 6.23493 10.2463 7.16254 6.3437 9.17284 12.2465 6.51096 4.9093 6.89781 10.9606 10.3161 9.0529 10.4923 7.6506 numMergedOcc 0
35 mol 155 unq 1 iso 0 dist 7.46303 6.43582 7.66392 9.14392 6.3845 12.1814 5.71071 6.23493 10.2463 7.16254 9.99927 13.2459 15.1841 8.73171 10.7896 6.89781 10.9606 10.3161 9.0529 10.4923 6.00473 numMergedOcc 0
36 mol 155 unq 2 iso 0 dist 7.46303 6.43582 7.66392 7.51198 5.86939 6.34186 5.71071 6.23493 10.2463 9.86313 8.27726 12.1081 7.36102 7.37901 13.5062 5.50031 12.2416 7.92304 9.80845 11.0769 5.50045 numMergedOcc 0
37 mol 155 unq 3 iso 0 dist 7.46303 6.43582 7.66392 7.51198 5.86939 6.34186 5.71071 6.23493 10.2463 9.86313 8.27726 12.1081 7.36102 7.37901 13.5062 6.89781 10.9606 10.3161 7.55196 10.4923 6.40403 numMergedOcc 0
38 mol 156 unq 0 iso 0 dist 8.94056 7.44554 5.56175 6.27641 8.67156 7.29758 10.1658 7.66148 12.0598 10.9818 6.29785 13.1853 9.36805 6.90155 15.7866 5.4555 7.90267 9.44367 5.81122 6.03934 10.143 numMergedOcc 0
39 mol 156 unq 1 iso 0 dist 8.94056 9.83699 11.2719 6.27641 8.67156 4.53931 10.1658 7.66148 15.1382 10.9818 6.29785 13.1853 7.55203 6.90155 15.7866 5.4555 7.90267 10.3379 5.81122 6.03934 10.143 numMergedOcc 0
40 mol 175 unq 0 iso 0 dist 9.0018 5.6234 6.2715 9.8589 8.22779 10.5631 7.42466 7.652 9.92231 7.24908 11.0415 9.31887 12.816 4.79852 5.0384 8.29015 10.4182 11.6765 5.4997 4.63177 4.30489 numMergedOcc 0
41 mol 175 unq 1 iso 0 dist 9.0018 5.6234 6.2715 9.8589 8.22779 10.5631 7.42466 7.652 9.92231 7.24908 11.0415 9.31887 12.816 4.79852 5.0384 14.7282 13.5281 16.8306 6.99693 9.30597 4.57622 numMergedOcc 0
42 mol 175 unq 2 iso 0 dist 9.0018 6.57069 8.16421 9.8589 8.22779 7.5414 7.42466 7.652 10.2623 7.24908 11.0415 9.31887 11.3137 4.79852 5.0384 8.29015 10.4182 9.77896 5.4997 4.63177 4.30489 numMergedOcc 0
43 mol 175 unq 3 iso 0 dist 9.0018 6.57069 8.16421 9.8589 8.22779 7.5414 7.42466 7.652 10.2623 7.24908 11.0415 9.31887 11.3137 4.79852 5.0384 14.7282 13.5281 14.2813 6.99693 9.30597 4.57622 numMergedOcc 0
44 mol 175 unq 4 iso 0 dist 7.652 9.92231 6.2715 7.24908 8.22779 10.5631 7.42466 9.0018 5.6234 9.8589 5.0384 9.31887 12.816 4.79852 11.0415 4.63177 10.4182 11.6765 5.4997 8.29015 4.30489 numMergedOcc 0
45 mol 175 unq 5 iso 0 dist 7.652 9.92231 6.2715 7.24908 8.22779 10.5631 7.42466 9.0018 5.6234 9.8589 5.0384 9.31887 12.816 4.79852 11.0415 9.30597 13.5281 16.8306 6.99693 14.7282 4.57622 numMergedOcc 0
46 mol 175 unq 6 iso 0 dist 5.6234 9.0018 6.2715 9.8589 10.5631 8.22779 7.42466 9.92231 7.652 7.24908 11.0415 12.816 9.31887 4.79852 5.0384 8.29015 11.6765 10.4182 5.4997 4.63177 4.30489 numMergedOcc 0
47 mol 175 unq 7 iso 0 dist 5.6234 9.0018 6.2715 9.8589 10.5631 8.22779 7.42466 9.92231 7.652 7.24908 11.0415 12.816 9.31887 4.79852 5.0384 14.7282 16.8306 13.5281 6.99693 9.30597 4.57622 numMergedOcc 0
48 mol 175 unq 8 iso 0 dist 5.6234 6.57069 5.35493 9.8589 10.5631 7.5414 7.42466 9.92231 10.2623 7.24908 11.0415 12.816 11.3137 4.79852 5.0384 8.29015 11.6765 9.77896 5.4997 4.63177 4.30489 numMergedOcc 0
49 mol 175 unq 9 iso 0 dist 5.6234 6.57069 5.35493 9.8589 10.5631 7.5414 7.42466 9.92231 10.2623 7.24908 11.0415 12.816 11.3137 4.79852 5.0384 14.7282 16.8306 14.2813 6.99693 9.30597 4.57622 numMergedOcc 0
50 mol 175 unq 10 iso 0 dist 9.92231 7.652 6.2715 7.24908 10.5631 8.22779 7.42466 5.6234 9.0018 9.8589 5.0384 12.816 9.31887 4.79852 11.0415 4.63177 11.6765 10.4182 5.4997 8.29015 4.30489 numMergedOcc 0
51 mol 175 unq 11 iso 0 dist 9.92231 7.652 6.2715 7.24908 10.5631 8.22779 7.42466 5.6234 9.0018 9.8589 5.0384 12.816 9.31887 4.79852 11.0415 9.30597 16.8306 13.5281 6.99693 14.7282 4.57622 numMergedOcc 0
52 mol 181 unq 0 iso 0 dist 9.1374 5.98885 8.88798 6.94688 6.25083 5.86342 13.2049 8.03334 10.7062 12.1309 8.25067 13.2702 10.8351 8.20656 19.5806 6.6251 6.2479 7.99195 9.06217 7.81713 14.048 numMergedOcc 0
53 mol 181 unq 1 iso 0 dist 9.1374 5.98885 8.88798 6.71012 4.77278 9.14057 13.2049 8.03334 10.7062 12.2058 8.25067 13.2702 10.8351 9.40622 19.5806 6.6251 6.2479 7.99195 7.13252 7.81713 14.048 numMergedOcc 0
54 mol 181 unq 2 iso 0 dist 9.1374 9.15386 12.1628 6.94688 6.25083 6.80228 13.2049 8.03334 14.9794 12.1309 8.25067 13.2702 9.6668 8.20656 19.5806 6.6251 6.2479 12.8533 9.06217 7.81713 14.048 numMergedOcc 0
55 mol 181 unq 3 iso 0 dist 9.1374 9.15386 12.1628 6.71012 4.77278 11.6919 13.2049 8.03334 14.9794 12.2058 8.25067 13.2702 9.6668 9.40622 19.5806 6.6251 6.2479 12.8533 7.13252 7.81713 14.048 numMergedOcc 0
56 mol 181 unq 4 iso 0 dist 5.98885 9.1374 8.88798 6.94688 5.86342 6.25083 10.1912 9.09537 15.0228 14.4632 8.25067 10.8351 13.2702 8.20656 17.441 6.6251 7.99195 6.2479 9.06217 10.09 14.048 numMergedOcc 0
57 mol 181 unq 5 iso 0 dist 5.98885 9.1374 8.88798 6.71012 9.14057 4.77278 10.1912 9.09537 15.0228 15.4777 8.25067 10.8351 13.2702 9.40622 17.441 6.6251 7.99195 6.2479 7.13252 10.09 14.048 numMergedOcc 0
58 mol 181 unq 6 iso 0 dist 5.98885 9.15386 5.16002 6.94688 5.86342 6.80228 10.1912 9.09537 12.9862 14.4632 8.25067 10.8351 9.6668 8.20656 17.441 6.6251 7.99195 12.8533 9.06217 10.09 14.048 numMergedOcc 0
59 mol 181 unq 7 iso 0 dist 5.98885 9.15386 5.16002 6.71012 9.14057 11.6919 10.1912 9.09537 12.9862 15.4777 8.25067 10.8351 9.6668 9.40622 17.441 6.6251 7.99195 12.8533 7.13252 10.09 14.048 numMergedOcc 0
60 mol 227 unq 0 iso 0 dist 7.22101 7.09863 4.39704 8.17891 6.43754 9.13836 6.99063 9.34734 10.4905 12.4085 13.3557 12.3856 16.1617 7.95168 14.7498 10.9607 5.41321 9.74265 7.57454 10.7656 9.75331 numMergedOcc 0
61 mol 227 unq 1 iso 0 dist 7.22101 7.09863 4.39704 8.17891 6.43754 9.13836 5.22356 8.65997 10.8157 6.95902 13.3557 12.3856 16.1617 7.95168 8.8709 10.9607 5.41321 9.74265 7.57454 9.72615 9.75331 numMergedOcc 0
62 mol 227 unq 2 iso 0 dist 7.22101 7.09863 4.39704 8.17891 6.43754 9.13836 10.8658 7.56888 11.0431 11.004 13.3557 12.3856 16.1617 7.95168 12.0094 10.9607 5.41321 9.74265 7.57454 5.10635 9.75331 numMergedOcc 0
63 mol 227 unq 3 iso 0 dist 7.22101 7.09863 4.39704 8.17891 6.43754 9.13836 12.4689 7.55216 10.0334 12.8864 13.3557 12.3856 16.1617 7.95168 15.5877 10.9607 5.41321 9.74265 7.57454 6.48027 9.75331 numMergedOcc 0
64 mol 234 unq 0 iso 0 dist 9.45496 6.7625 7.82322 9.5707 15.9563 14.4106 5.88703 6.56247 9.36357 10.3388 5.56749 15.004 10.8628 8.49841 10.6156 10.0059 17.6227 12.6238 7.43663 13.8349 7.17691 numMergedOcc 0
65 mol 234 unq 1 iso 0 dist 9.45496 6.7625 7.82322 9.5707 15.9563 14.4106 5.88703 6.56247 9.36357 10.3388 12.1076 17.6567 12.6312 9.6101 15.0456 10.0059 17.6227 12.6238 7.43663 13.8349 4.51304 numMergedOcc 0
66 mol 234 unq 2 iso 0 dist 6.7625 9.45496 7.82322 9.5707 14.4106 15.9563 5.88703 9.36357 6.56247 10.3388 5.56749 10.8628 15.004 8.49841 10.6156 10.0059 12.6238 17.6227 7.43663 13.8349 7.17691 numMergedOcc 0
67 mol 234 unq 3 iso 0 dist 6.7625 9.45496 7.82322 9.5707 14.4106 15.9563 5.88703 9.36357 6.56247 10.3388 12.1076 12.6312 17.6567 9.6101 15.0456 10.0059 12.6238 17.6227 7.43663 13.8349 4.51304 numMergedOcc 0
