0 mol 0 unq 0 iso 0 dist 9.6994 7.15528 7.19817 9.23213 5.08793 10.4498 10.3034 10.9812 14.3013 6.3267 5.24778 11.2072 11.2263 8.34244 6.0597 numMergedOcc 0
1 mol 0 unq 0 iso 1 dist 7.15528 9.6994 7.19817 9.23213 10.4498 5.08793 10.3034 14.3013 10.9812 6.3267 5.24778 11.2263 11.2072 8.34244 6.0597 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 9.4099 9.55426 10.6169 9.73139 5.24906 13.1021 7.02095 9.89984 11.3177 6.96494 12.2123 9.86039 18.8985 9.11258 13.4366 numMergedOcc 0
3 mol 58 unq 0 iso 1 dist 9.55426 9.4099 10.6169 9.73139 13.1021 5.24906 7.02095 11.3177 9.89984 6.96494 12.2123 18.8985 9.86039 9.11258 13.4366 numMergedOcc 0
4 mol 58 unq 1 iso 0 dist 9.4099 9.55426 10.6169 9.73139 5.24906 13.1021 8.94672 10.9283 16.3779 7.01363 12.2123 9.86039 18.8985 9.11258 8.88332 numMergedOcc 0
5 mol 58 unq 1 iso 1 dist 9.55426 9.4099 10.6169 9.73139 13.1021 5.24906 8.94672 16.3779 10.9283 7.01363 12.2123 18.8985 9.86039 9.11258 8.88332 numMergedOcc 0
6 mol 58 unq 2 iso 0 dist 9.4099 9.55426 10.6169 6.31428 5.11205 6.75888 10.3782 13.7148 8.26899 8.80108 5.74871 12.3035 7.21955 8.71468 10.8421 numMergedOcc 0
7 mol 58 unq 2 iso 1 dist 9.55426 9.4099 10.6169 6.31428 6.75888 5.11205 10.3782 8.26899 13.7148 8.80108 5.74871 7.21955 12.3035 8.71468 10.8421 numMergedOcc 0
8 mol 58 unq 3 iso 0 dist 9.4099 9.55426 10.6169 6.31428 5.11205 6.75888 7.02095 9.89984 11.3177 6.50297 5.74871 12.3035 7.21955 8.71468 11.3634 numMergedOcc 0
9 mol 58 unq 3 iso 1 dist 9.55426 9.4099 10.6169 6.31428 6.75888 5.11205 7.02095 11.3177 9.89984 6.50297 5.74871 7.21955 12.3035 8.71468 11.3634 numMergedOcc 0
10 mol 59 unq 0 iso 0 dist 6.85766 7.71095 10.0246 6.71911 7.29033 5.33688 5.3525 10.6318 8.24062 6.5096 9.64444 14.8852 6.73347 9.2902 7.0313 numMergedOcc 0
11 mol 59 unq 0 iso 1 dist 7.71095 6.85766 10.0246 6.71911 5.33688 7.29033 5.3525 8.24062 10.6318 6.5096 9.64444 6.73347 14.8852 9.2902 7.0313 numMergedOcc 0
12 mol 115 unq 0 iso 0 dist 9.33865 6.11741 8.02349 7.64585 10.2377 10.8939 10.7942 7.76729 12.9821 6.40036 6.40494 12.125 12.2743 7.52142 9.65908 numMergedOcc 0
13 mol 115 unq 0 iso 1 dist 6.11741 9.33865 8.02349 7.64585 10.8939 10.2377 10.7942 12.9821 7.76729 6.40036 6.40494 12.2743 12.125 7.52142 9.65908 numMergedOcc 0
14 mol 115 unq 1 iso 0 dist 9.33865 5.83991 7.69052 7.76729 10.7942 10.9739 6.34759 12.0409 11.8557 7.99631 14.0688 13.3009 17.0848 7.70313 11.4407 numMergedOcc 0
15 mol 115 unq 1 iso 1 dist 5.83991 9.33865 7.69052 7.76729 10.9739 10.7942 6.34759 11.8557 12.0409 7.99631 14.0688 17.0848 13.3009 7.70313 11.4407 numMergedOcc 0
16 mol 115 unq 2 iso 0 dist 9.33865 5.83991 7.69052 7.76729 10.7942 10.9739 10.2377 7.64585 12.2309 6.40036 14.0688 13.3009 17.0848 7.70313 5.67953 numMergedOcc 0
17 mol 115 unq 2 iso 1 dist 5.83991 9.33865 7.69052 7.76729 10.9739 10.7942 10.2377 12.2309 7.64585 6.40036 14.0688 17.0848 13.3009 7.70313 5.67953 numMergedOcc 0
18 mol 133 unq 0 iso 0 dist 7.11802 8.00618 8.18495 7.92688 4.68409 12.2037 11.8989 14.0449 19.3117 9.94276 5.92062 9.22661 13.5028 6.51868 6.00607 numMergedOcc 0
19 mol 133 unq 0 iso 1 dist 8.00618 7.11802 8.18495 7.92688 12.2037 4.68409 11.8989 19.3117 14.0449 9.94276 5.92062 13.5028 9.22661 6.51868 6.00607 numMergedOcc 0
20 mol 133 unq 1 iso 0 dist 7.11802 8.00618 8.18495 7.92688 4.68409 12.2037 11.8989 14.0449 19.3117 9.94276 6.61891 7.56378 11.8433 7.34698 12.0514 numMergedOcc 0
21 mol 133 unq 1 iso 1 dist 8.00618 7.11802 8.18495 7.92688 12.2037 4.68409 11.8989 19.3117 14.0449 9.94276 6.61891 11.8433 7.56378 7.34698 12.0514 numMergedOcc 0
22 mol 133 unq 2 iso 0 dist 7.11802 8.00618 8.18495 7.92688 4.68409 12.2037 15.0734 13.5624 20.5979 9.05357 5.92062 9.22661 13.5028 6.51868 10.2267 numMergedOcc 0
23 mol 133 unq 2 iso 1 dist 8.00618 7.11802 8.18495 7.92688 12.2037 4.68409 15.0734 20.5979 13.5624 9.05357 5.92062 13.5028 9.22661 6.51868 10.2267 numMergedOcc 0
24 mol 133 unq 3 iso 0 dist 7.11802 8.00618 8.18495 7.92688 4.68409 12.2037 15.0734 13.5624 20.5979 9.05357 6.61891 7.56378 11.8433 7.34698 14.5639 numMergedOcc 0
25 mol 133 unq 3 iso 1 dist 8.00618 7.11802 8.18495 7.92688 12.2037 4.68409 15.0734 20.5979 13.5624 9.05357 6.61891 11.8433 7.56378 7.34698 14.5639 numMergedOcc 0
26 mol 133 unq 4 iso 0 dist 7.11802 8.00618 8.18495 7.92688 4.68409 12.2037 9.58627 9.65709 16.126 5.99299 5.92062 9.22661 13.5028 6.51868 5.59913 numMergedOcc 0
27 mol 133 unq 4 iso 1 dist 8.00618 7.11802 8.18495 7.92688 12.2037 4.68409 9.58627 16.126 9.65709 5.99299 5.92062 13.5028 9.22661 6.51868 5.59913 numMergedOcc 0
28 mol 133 unq 5 iso 0 dist 7.11802 8.00618 8.18495 7.92688 4.68409 12.2037 9.58627 9.65709 16.126 5.99299 6.61891 7.56378 11.8433 7.34698 6.27692 numMergedOcc 0
29 mol 133 unq 5 iso 1 dist 8.00618 7.11802 8.18495 7.92688 12.2037 4.68409 9.58627 16.126 9.65709 5.99299 6.61891 11.8433 7.56378 7.34698 6.27692 numMergedOcc 0
30 mol 155 unq 0 iso 0 dist 7.46303 6.43582 7.66392 9.14392 6.3845 12.1814 6.3437 9.17284 12.2465 6.51096 6.89781 10.9606 10.3161 9.0529 7.6506 numMergedOcc 0
31 mol 155 unq 0 iso 1 dist 6.43582 7.46303 7.66392 9.14392 12.1814 6.3845 6.3437 12.2465 9.17284 6.51096 6.89781 10.3161 10.9606 9.0529 7.6506 numMergedOcc 0
32 mol 155 unq 1 iso 0 dist 7.46303 6.43582 7.66392 9.14392 6.3845 12.1814 9.99927 13.2459 15.1841 8.73171 6.89781 10.9606 10.3161 9.0529 6.00473 numMergedOcc 0
33 mol 155 unq 1 iso 1 dist 6.43582 7.46303 7.66392 9.14392 12.1814 6.3845 9.99927 15.1841 13.2459 8.73171 6.89781 10.3161 10.9606 9.0529 6.00473 numMergedOcc 0
34 mol 155 unq 2 iso 0 dist 7.46303 6.43582 7.66392 7.51198 5.86939 6.34186 8.27726 12.1081 7.36102 7.37901 5.50031 12.2416 7.92304 9.80845 5.50045 numMergedOcc 0
35 mol 155 unq 2 iso 1 dist 6.43582 7.46303 7.66392 7.51198 6.34186 5.86939 8.27726 7.36102 12.1081 7.37901 5.50031 7.92304 12.2416 9.80845 5.50045 numMergedOcc 0
36 mol 155 unq 3 iso 0 dist 7.46303 6.43582 7.66392 7.51198 5.86939 6.34186 8.27726 12.1081 7.36102 7.37901 6.89781 10.9606 10.3161 7.55196 6.40403 numMergedOcc 0
37 mol 155 unq 3 iso 1 dist 6.43582 7.46303 7.66392 7.51198 6.34186 5.86939 8.27726 7.36102 12.1081 7.37901 6.89781 10.3161 10.9606 7.55196 6.40403 numMergedOcc 0
38 mol 156 unq 0 iso 0 dist 7.44554 8.94056 5.56175 6.27641 7.29758 8.67156 6.29785 9.36805 13.1853 6.90155 5.4555 9.44367 7.90267 5.81122 10.143 numMergedOcc 0
39 mol 156 unq 0 iso 1 dist 8.94056 7.44554 5.56175 6.27641 8.67156 7.29758 6.29785 13.1853 9.36805 6.90155 5.4555 7.90267 9.44367 5.81122 10.143 numMergedOcc 0
40 mol 156 unq 1 iso 0 dist 7.44554 9.83699 8.38403 6.27641 7.29758 4.53931 6.29785 9.36805 7.55203 6.90155 5.4555 9.44367 10.3379 5.81122 10.143 numMergedOcc 0
41 mol 156 unq 1 iso 1 dist 9.83699 7.44554 8.38403 6.27641 4.53931 7.29758 6.29785 7.55203 9.36805 6.90155 5.4555 10.3379 9.44367 5.81122 10.143 numMergedOcc 0
42 mol 156 unq 1 iso 0 dist 8.94056 9.83699 11.2719 6.27641 8.67156 4.53931 6.29785 13.1853 7.55203 6.90155 5.4555 7.90267 10.3379 5.81122 10.143 numMergedOcc 0
43 mol 156 unq 1 iso 1 dist 9.83699 8.94056 11.2719 6.27641 4.53931 8.67156 6.29785 7.55203 13.1853 6.90155 5.4555 10.3379 7.90267 5.81122 10.143 numMergedOcc 0
44 mol 175 unq 0 iso 0 dist 9.0018 5.6234 6.2715 9.8589 8.22779 10.5631 11.0415 9.31887 12.816 4.79852 8.29015 10.4182 11.6765 5.4997 4.30489 numMergedOcc 0
45 mol 175 unq 0 iso 1 dist 5.6234 9.0018 6.2715 9.8589 10.5631 8.22779 11.0415 12.816 9.31887 4.79852 8.29015 11.6765 10.4182 5.4997 4.30489 numMergedOcc 0
46 mol 175 unq 1 iso 0 dist 9.0018 5.6234 6.2715 9.8589 8.22779 10.5631 11.0415 9.31887 12.816 4.79852 14.7282 13.5281 16.8306 6.99693 4.57622 numMergedOcc 0
47 mol 175 unq 1 iso 1 dist 5.6234 9.0018 6.2715 9.8589 10.5631 8.22779 11.0415 12.816 9.31887 4.79852 14.7282 16.8306 13.5281 6.99693 4.57622 numMergedOcc 0
48 mol 175 unq 2 iso 0 dist 9.0018 6.57069 8.16421 9.8589 8.22779 7.5414 11.0415 9.31887 11.3137 4.79852 8.29015 10.4182 9.77896 5.4997 4.30489 numMergedOcc 0
49 mol 175 unq 2 iso 1 dist 6.57069 9.0018 8.16421 9.8589 7.5414 8.22779 11.0415 11.3137 9.31887 4.79852 8.29015 9.77896 10.4182 5.4997 4.30489 numMergedOcc 0
50 mol 175 unq 3 iso 0 dist 9.0018 6.57069 8.16421 9.8589 8.22779 7.5414 11.0415 9.31887 11.3137 4.79852 14.7282 13.5281 14.2813 6.99693 4.57622 numMergedOcc 0
51 mol 175 unq 3 iso 1 dist 6.57069 9.0018 8.16421 9.8589 7.5414 8.22779 11.0415 11.3137 9.31887 4.79852 14.7282 14.2813 13.5281 6.99693 4.57622 numMergedOcc 0
52 mol 175 unq 4 iso 0 dist 7.652 9.92231 6.2715 7.24908 8.22779 10.5631 5.0384 9.31887 12.816 4.79852 4.63177 10.4182 11.6765 5.4997 4.30489 numMergedOcc 0
53 mol 175 unq 4 iso 1 dist 9.92231 7.652 6.2715 7.24908 10.5631 8.22779 5.0384 12.816 9.31887 4.79852 4.63177 11.6765 10.4182 5.4997 4.30489 numMergedOcc 0
54 mol 175 unq 5 iso 0 dist 7.652 9.92231 6.2715 7.24908 8.22779 10.5631 5.0384 9.31887 12.816 4.79852 9.30597 13.5281 16.8306 6.99693 4.57622 numMergedOcc 0
55 mol 175 unq 5 iso 1 dist 9.92231 7.652 6.2715 7.24908 10.5631 8.22779 5.0384 12.816 9.31887 4.79852 9.30597 16.8306 13.5281 6.99693 4.57622 numMergedOcc 0
56 mol 175 unq 2 iso 0 dist 5.6234 6.57069 5.35493 9.8589 10.5631 7.5414 11.0415 12.816 11.3137 4.79852 8.29015 11.6765 9.77896 5.4997 4.30489 numMergedOcc 0
57 mol 175 unq 2 iso 1 dist 6.57069 5.6234 5.35493 9.8589 7.5414 10.5631 11.0415 11.3137 12.816 4.79852 8.29015 9.77896 11.6765 5.4997 4.30489 numMergedOcc 0
58 mol 175 unq 3 iso 0 dist 5.6234 6.57069 5.35493 9.8589 10.5631 7.5414 11.0415 12.816 11.3137 4.79852 14.7282 16.8306 14.2813 6.99693 4.57622 numMergedOcc 0
59 mol 175 unq 3 iso 1 dist 6.57069 5.6234 5.35493 9.8589 7.5414 10.5631 11.0415 11.3137 12.816 4.79852 14.7282 14.2813 16.8306 6.99693 4.57622 numMergedOcc 0
60 mol 181 unq 0 iso 0 dist 9.1374 5.98885 8.88798 6.94688 6.25083 5.86342 8.25067 13.2702 10.8351 8.20656 6.6251 6.2479 7.99195 9.06217 14.048 numMergedOcc 0
61 mol 181 unq 0 iso 1 dist 5.98885 9.1374 8.88798 6.94688 5.86342 6.25083 8.25067 10.8351 13.2702 8.20656 6.6251 7.99195 6.2479 9.06217 14.048 numMergedOcc 0
62 mol 181 unq 1 iso 0 dist 9.1374 5.98885 8.88798 6.71012 4.77278 9.14057 8.25067 13.2702 10.8351 9.40622 6.6251 6.2479 7.99195 7.13252 14.048 numMergedOcc 0
63 mol 181 unq 1 iso 1 dist 5.98885 9.1374 8.88798 6.71012 9.14057 4.77278 8.25067 10.8351 13.2702 9.40622 6.6251 7.99195 6.2479 7.13252 14.048 numMergedOcc 0
64 mol 181 unq 2 iso 0 dist 9.1374 9.15386 12.1628 6.94688 6.25083 6.80228 8.25067 13.2702 9.6668 8.20656 6.6251 6.2479 12.8533 9.06217 14.048 numMergedOcc 0
65 mol 181 unq 2 iso 1 dist 9.15386 9.1374 12.1628 6.94688 6.80228 6.25083 8.25067 9.6668 13.2702 8.20656 6.6251 12.8533 6.2479 9.06217 14.048 numMergedOcc 0
66 mol 181 unq 3 iso 0 dist 9.1374 9.15386 12.1628 6.71012 4.77278 11.6919 8.25067 13.2702 9.6668 9.40622 6.6251 6.2479 12.8533 7.13252 14.048 numMergedOcc 0
67 mol 181 unq 3 iso 1 dist 9.15386 9.1374 12.1628 6.71012 11.6919 4.77278 8.25067 9.6668 13.2702 9.40622 6.6251 12.8533 6.2479 7.13252 14.048 numMergedOcc 0
68 mol 181 unq 2 iso 0 dist 5.98885 9.15386 5.16002 6.94688 5.86342 6.80228 8.25067 10.8351 9.6668 8.20656 6.6251 7.99195 12.8533 9.06217 14.048 numMergedOcc 0
69 mol 181 unq 2 iso 1 dist 9.15386 5.98885 5.16002 6.94688 6.80228 5.86342 8.25067 9.6668 10.8351 8.20656 6.6251 12.8533 7.99195 9.06217 14.048 numMergedOcc 0
70 mol 181 unq 3 iso 0 dist 5.98885 9.15386 5.16002 6.71012 9.14057 11.6919 8.25067 10.8351 9.6668 9.40622 6.6251 7.99195 12.8533 7.13252 14.048 numMergedOcc 0
71 mol 181 unq 3 iso 1 dist 9.15386 5.98885 5.16002 6.71012 11.6919 9.14057 8.25067 9.6668 10.8351 9.40622 6.6251 12.8533 7.99195 7.13252 14.048 numMergedOcc 0
72 mol 227 unq 0 iso 0 dist 7.22101 7.09863 4.39704 8.17891 6.43754 9.13836 13.3557 12.3856 16.1617 7.95168 10.9607 5.41321 9.74265 7.57454 9.75331 numMergedOcc 0
73 mol 227 unq 0 iso 1 dist 7.09863 7.22101 4.39704 8.17891 9.13836 6.43754 13.3557 16.1617 12.3856 7.95168 10.9607 9.74265 5.41321 7.57454 9.75331 numMergedOcc 0
74 mol 234 unq 0 iso 0 dist 9.45496 6.7625 7.82322 9.5707 15.9563 14.4106 5.56749 15.004 10.8628 8.49841 10.0059 17.6227 12.6238 7.43663 7.17691 numMergedOcc 0
75 mol 234 unq 0 iso 1 dist 6.7625 9.45496 7.82322 9.5707 14.4106 15.9563 5.56749 10.8628 15.004 8.49841 10.0059 12.6238 17.6227 7.43663 7.17691 numMergedOcc 0
76 mol 234 unq 1 iso 0 dist 9.45496 6.7625 7.82322 9.5707 15.9563 14.4106 12.1076 17.6567 12.6312 9.6101 10.0059 17.6227 12.6238 7.43663 4.51304 numMergedOcc 0
77 mol 234 unq 1 iso 1 dist 6.7625 9.45496 7.82322 9.5707 14.4106 15.9563 12.1076 12.6312 17.6567 9.6101 10.0059 12.6238 17.6227 7.43663 4.51304 numMergedOcc 0
