0 mol 5 unq 0 iso 0 dist 8.4458 10.1029 7.50453 9.20252 5.69239 3.33561 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 9.10105 7.57272 9.89425 6.37744 6.83186 12.0683 numMergedOcc 0
2 mol 11 unq 1 iso 0 dist 9.08001 3.80723 9.89425 9.94056 6.83186 12.0683 numMergedOcc 0
3 mol 34 unq 0 iso 0 dist 8.05406 8.06805 6.52283 6.15892 4.75881 3.41186 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 7.11325 7.10524 7.78689 6.86738 8.22812 9.26377 numMergedOcc 0
5 mol 48 unq 1 iso 0 dist 7.11325 7.10524 7.78689 3.61974 4.22002 4.88527 numMergedOcc 0
6 mol 48 unq 2 iso 0 dist 7.11325 7.10524 7.78689 5.0726 5.77855 4.76279 numMergedOcc 0
7 mol 48 unq 3 iso 0 dist 7.11325 7.10524 7.78689 4.96046 8.10774 5.56357 numMergedOcc 0
8 mol 48 unq 4 iso 0 dist 7.11325 7.10524 7.78689 4.86063 6.5241 9.94951 numMergedOcc 0
9 mol 48 unq 5 iso 0 dist 6.86863 6.85602 7.70645 5.12918 8.14245 5.43784 numMergedOcc 0
10 mol 48 unq 6 iso 0 dist 6.86863 6.85602 7.70645 4.65863 6.36817 9.7018 numMergedOcc 0
11 mol 48 unq 7 iso 0 dist 6.86863 6.85602 7.70645 6.69242 8.0812 8.95384 numMergedOcc 0
12 mol 48 unq 8 iso 0 dist 6.86863 6.85602 7.70645 3.63032 4.17933 4.57947 numMergedOcc 0
13 mol 48 unq 9 iso 0 dist 6.86863 6.85602 7.70645 4.90115 5.54893 4.60843 numMergedOcc 0
14 mol 85 unq 0 iso 0 dist 8.09327 7.98867 4.29937 5.94192 6.67137 3.65186 numMergedOcc 0
15 mol 85 unq 1 iso 0 dist 8.09327 7.98867 4.29937 16.1956 9.78707 12.2971 numMergedOcc 0
16 mol 85 unq 2 iso 0 dist 8.09327 9.38254 3.65628 5.94192 6.67137 7.00044 numMergedOcc 0
17 mol 85 unq 3 iso 0 dist 8.09327 9.38254 3.65628 16.1956 9.78707 8.64367 numMergedOcc 0
18 mol 85 unq 4 iso 0 dist 8.09327 16.6207 9.77774 5.94192 6.67137 16.1804 numMergedOcc 0
19 mol 85 unq 5 iso 0 dist 8.09327 16.6207 9.77774 16.1956 9.78707 3.21259 numMergedOcc 0
20 mol 85 unq 6 iso 0 dist 6.7686 7.98867 5.37869 7.16843 7.07839 10.0372 numMergedOcc 0
21 mol 85 unq 7 iso 0 dist 6.7686 7.98867 5.37869 4.24179 9.09711 11.8779 numMergedOcc 0
22 mol 85 unq 8 iso 0 dist 6.7686 7.98867 5.37869 5.94192 7.04244 3.65186 numMergedOcc 0
23 mol 85 unq 9 iso 0 dist 6.7686 7.98867 5.37869 6.78342 7.91193 11.7094 numMergedOcc 0
24 mol 85 unq 10 iso 0 dist 6.7686 7.98867 5.37869 16.1956 9.63449 12.2971 numMergedOcc 0
25 mol 85 unq 11 iso 0 dist 6.7686 9.38254 4.05415 7.16843 7.07839 8.78995 numMergedOcc 0
26 mol 85 unq 12 iso 0 dist 6.7686 9.38254 4.05415 4.24179 9.09711 12.4835 numMergedOcc 0
27 mol 85 unq 13 iso 0 dist 6.7686 9.38254 4.05415 5.94192 7.04244 7.00044 numMergedOcc 0
28 mol 85 unq 14 iso 0 dist 6.7686 9.38254 4.05415 6.78342 7.91193 10.7591 numMergedOcc 0
29 mol 85 unq 15 iso 0 dist 6.7686 9.38254 4.05415 16.1956 9.63449 8.64367 numMergedOcc 0
30 mol 85 unq 16 iso 0 dist 6.7686 16.6207 9.97944 7.16843 7.07839 14.2664 numMergedOcc 0
31 mol 85 unq 17 iso 0 dist 6.7686 16.6207 9.97944 4.24179 9.09711 17.9023 numMergedOcc 0
32 mol 85 unq 18 iso 0 dist 6.7686 16.6207 9.97944 5.94192 7.04244 16.1804 numMergedOcc 0
33 mol 85 unq 19 iso 0 dist 6.7686 16.6207 9.97944 6.78342 7.91193 15.1209 numMergedOcc 0
34 mol 85 unq 20 iso 0 dist 6.7686 16.6207 9.97944 16.1956 9.63449 3.21259 numMergedOcc 0
35 mol 113 unq 0 iso 0 dist 7.3165 4.68267 8.67025 5.6697 5.31126 9.59189 numMergedOcc 0
36 mol 113 unq 1 iso 0 dist 7.3165 4.68267 8.67025 7.98338 4.49669 10.1118 numMergedOcc 0
37 mol 113 unq 2 iso 0 dist 7.3165 4.68267 8.67025 7.63386 6.00221 8.19901 numMergedOcc 0
38 mol 113 unq 3 iso 0 dist 7.47051 13.0412 8.67025 3.88165 5.31126 9.59189 numMergedOcc 0
39 mol 113 unq 4 iso 0 dist 7.47051 13.0412 8.67025 5.99577 4.49669 10.1118 numMergedOcc 0
40 mol 113 unq 5 iso 0 dist 7.47051 13.0412 8.67025 9.32971 6.00221 8.19901 numMergedOcc 0
41 mol 113 unq 6 iso 0 dist 8.4272 13.9447 9.60127 3.88165 7.16619 13.8379 numMergedOcc 0
42 mol 113 unq 7 iso 0 dist 8.4272 13.9447 9.60127 5.99577 5.88896 8.39067 numMergedOcc 0
43 mol 115 unq 0 iso 0 dist 7.71115 8.78263 9.45013 5.10445 6.21029 7.30495 numMergedOcc 0
44 mol 115 unq 1 iso 0 dist 7.71115 8.78263 9.45013 3.1716 8.16325 9.57858 numMergedOcc 0
45 mol 123 unq 0 iso 0 dist 6.46129 9.1262 4.14492 4.08778 5.56127 8.42496 numMergedOcc 0
46 mol 123 unq 1 iso 0 dist 6.46129 9.1262 4.14492 7.41602 8.03692 10.3919 numMergedOcc 0
47 mol 123 unq 2 iso 0 dist 6.46129 9.1262 4.14492 10.3587 5.36214 3.3389 numMergedOcc 0
48 mol 123 unq 3 iso 0 dist 7.7316 8.88403 4.14492 8.97185 5.56127 8.42496 numMergedOcc 0
49 mol 123 unq 4 iso 0 dist 7.7316 8.88403 4.14492 4.74716 8.03692 10.3919 numMergedOcc 0
50 mol 123 unq 5 iso 0 dist 7.7316 8.88403 4.14492 11.5722 5.36214 3.3389 numMergedOcc 0
51 mol 169 unq 0 iso 0 dist 7.09378 4.40503 8.6961 5.79743 5.10589 9.60496 numMergedOcc 0
52 mol 169 unq 1 iso 0 dist 7.09378 4.40503 8.6961 7.98467 4.63336 10.5251 numMergedOcc 0
53 mol 169 unq 2 iso 0 dist 7.09378 4.40503 8.6961 7.33201 6.10715 8.67112 numMergedOcc 0
54 mol 169 unq 3 iso 0 dist 7.57745 13.2759 8.6961 3.96954 5.10589 9.60496 numMergedOcc 0
55 mol 169 unq 4 iso 0 dist 7.57745 13.2759 8.6961 5.64761 4.63336 10.5251 numMergedOcc 0
56 mol 169 unq 5 iso 0 dist 7.57745 13.2759 8.6961 8.90181 6.10715 8.67112 numMergedOcc 0
57 mol 213 unq 0 iso 0 dist 7.46064 14.1353 9.02881 3.83534 9.71831 14.4808 numMergedOcc 0
58 mol 287 unq 0 iso 0 dist 6.00177 5.78092 8.32982 3.54301 6.24487 5.55422 numMergedOcc 0
59 mol 288 unq 0 iso 0 dist 6.00177 5.78092 8.32982 3.54301 6.24487 5.55422 numMergedOcc 0
60 mol 289 unq 0 iso 0 dist 6.00177 5.78092 8.32982 3.54301 6.24487 5.55422 numMergedOcc 0
