0 mol 15 unq 0 iso 0 dist 9.97507 6.82505 5.17568 12.1303 7.48342 11.2317 15.3099 6.29685 11.2052 6.50647 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 8.4674 4.51865 5.80928 4.64838 6.41575 6.41423 6.20943 5.14627 4.69858 5.82366 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 8.4674 4.54938 7.67038 9.74255 8.40416 7.75618 9.58539 6.74265 5.5841 7.02548 numMergedOcc 0
3 mol 19 unq 2 iso 0 dist 8.4674 7.82074 10.3915 9.74255 8.40416 12.3215 9.58539 6.74265 7.42082 7.02548 numMergedOcc 0
4 mol 19 unq 3 iso 0 dist 4.54938 7.20519 7.34551 4.97119 6.41575 10.741 7.82528 5.14627 10.4988 5.82366 numMergedOcc 0
5 mol 19 unq 4 iso 0 dist 4.54938 6.864 5.80928 4.97119 6.41575 6.41423 7.82528 5.14627 4.69858 5.82366 numMergedOcc 0
6 mol 19 unq 5 iso 0 dist 4.54938 8.4674 7.67038 9.74255 7.75618 8.40416 9.58539 5.5841 6.74265 7.02548 numMergedOcc 0
7 mol 19 unq 6 iso 0 dist 4.54938 7.82074 5.03957 9.74255 7.75618 12.3215 9.58539 5.5841 7.42082 7.02548 numMergedOcc 0
8 mol 19 unq 7 iso 0 dist 4.51865 8.4674 5.80928 4.64838 6.41423 6.41575 6.20943 4.69858 5.14627 5.82366 numMergedOcc 0
9 mol 19 unq 8 iso 0 dist 4.51865 6.864 7.67038 7.08342 8.40416 7.75618 8.58657 6.74265 5.5841 7.02548 numMergedOcc 0
10 mol 19 unq 9 iso 0 dist 6.864 7.20519 7.07775 4.97119 6.41423 10.741 7.82528 4.69858 10.4988 5.82366 numMergedOcc 0
11 mol 19 unq 10 iso 0 dist 6.864 4.54938 5.80928 4.97119 6.41423 6.41575 7.82528 4.69858 5.14627 5.82366 numMergedOcc 0
12 mol 19 unq 11 iso 0 dist 6.864 4.51865 7.67038 7.08342 7.75618 8.40416 8.58657 5.5841 6.74265 7.02548 numMergedOcc 0
13 mol 25 unq 0 iso 0 dist 6.03987 7.31767 4.51512 5.68392 6.85556 9.79094 10.7177 5.09159 6.54985 9.62401 numMergedOcc 0
14 mol 54 unq 0 iso 0 dist 6.83299 9.5589 5.08001 4.29856 6.14538 10.6808 5.02241 5.06052 6.91765 6.30987 numMergedOcc 0
15 mol 54 unq 1 iso 0 dist 6.83299 8.10861 14.2075 4.29856 6.14538 10.4158 5.02241 5.06052 10.1332 6.30987 numMergedOcc 0
16 mol 58 unq 0 iso 0 dist 9.55426 9.4099 10.6169 5.74871 7.21955 12.3035 6.31428 6.75888 5.11205 8.71468 numMergedOcc 0
17 mol 59 unq 0 iso 0 dist 7.71095 6.85766 10.0246 9.64444 6.73347 14.8852 6.71911 5.33688 7.29033 9.2902 numMergedOcc 0
18 mol 61 unq 0 iso 0 dist 6.65721 6.72123 6.86346 13.5488 9.25641 14.4663 11.7721 5.94559 9.32363 7.46994 numMergedOcc 0
19 mol 73 unq 0 iso 0 dist 9.96396 9.38498 15.7123 5.11416 9.24757 13.8696 8.70133 7.41074 13.4082 7.10439 numMergedOcc 0
20 mol 73 unq 1 iso 0 dist 9.96396 9.75218 12.016 5.11416 9.24757 13.0145 8.70133 7.41074 15.9882 7.10439 numMergedOcc 0
21 mol 85 unq 0 iso 0 dist 7.97049 6.19965 5.42586 9.29301 9.82915 12.0078 13.9302 15.8792 17.5435 6.05495 numMergedOcc 0
22 mol 85 unq 1 iso 0 dist 7.47541 7.66905 5.42586 13.5116 9.82915 12.0078 18.8901 15.8792 17.5435 6.05495 numMergedOcc 0
23 mol 85 unq 2 iso 0 dist 7.47541 5.73196 6.87425 13.5116 9.82915 14.4382 18.8901 15.8792 20.1645 6.05495 numMergedOcc 0
24 mol 98 unq 0 iso 0 dist 5.08437 6.48948 9.51923 7.06961 6.7117 9.42961 10.417 8.70415 9.74284 6.0129 numMergedOcc 0
25 mol 98 unq 1 iso 0 dist 5.08437 6.10456 8.40073 7.06961 6.7117 4.47349 10.417 8.70415 10.0962 6.0129 numMergedOcc 0
26 mol 98 unq 2 iso 0 dist 6.10456 5.08437 8.40073 7.06961 4.47349 6.7117 10.417 10.0962 8.70415 6.0129 numMergedOcc 0
27 mol 98 unq 3 iso 0 dist 6.10456 6.48948 9.42358 7.06961 4.47349 9.42961 10.417 10.0962 9.74284 6.0129 numMergedOcc 0
28 mol 131 unq 0 iso 0 dist 6.85062 8.40312 10.7062 14.2045 8.70296 18.0058 14.3377 7.90484 14.4683 9.2235 numMergedOcc 0
29 mol 131 unq 1 iso 0 dist 6.85062 7.12972 6.63273 14.2045 8.70296 12.6227 14.3377 7.90484 10.5216 9.2235 numMergedOcc 0
30 mol 133 unq 0 iso 0 dist 7.11802 8.00618 8.18495 16.0138 9.22232 12.7901 16.3407 12.0863 9.53782 8.21165 numMergedOcc 0
31 mol 133 unq 1 iso 0 dist 7.11802 8.00618 8.18495 5.92062 9.22661 13.5028 7.92688 4.68409 12.2037 6.51868 numMergedOcc 0
32 mol 133 unq 2 iso 0 dist 7.11802 8.00618 8.18495 6.61891 7.56378 11.8433 7.92688 4.68409 12.2037 7.34698 numMergedOcc 0
33 mol 134 unq 0 iso 0 dist 6.54501 6.49416 5.00526 5.71679 7.69991 6.23142 10.9685 6.69989 5.3585 8.55616 numMergedOcc 0
34 mol 134 unq 1 iso 0 dist 6.54501 6.49416 5.00526 5.71679 7.69991 6.23142 8.6355 10.1448 5.41704 8.73604 numMergedOcc 0
35 mol 134 unq 2 iso 0 dist 8.94367 9.86662 6.81259 4.57832 6.23142 9.94764 11.2292 5.3585 6.74887 8.55616 numMergedOcc 0
36 mol 134 unq 3 iso 0 dist 8.94367 9.86662 6.81259 4.57832 6.23142 9.94764 8.79571 5.41704 6.17103 8.73604 numMergedOcc 0
37 mol 134 unq 4 iso 0 dist 6.37586 9.71307 6.81259 5.29786 6.23142 9.94764 10.9613 5.3585 6.74887 8.55616 numMergedOcc 0
38 mol 134 unq 5 iso 0 dist 6.37586 9.71307 6.81259 5.29786 6.23142 9.94764 5.42582 5.41704 6.17103 8.73604 numMergedOcc 0
39 mol 134 unq 6 iso 0 dist 6.49416 6.54501 5.00526 5.71679 6.23142 7.69991 10.9685 5.3585 6.69989 8.55616 numMergedOcc 0
40 mol 134 unq 7 iso 0 dist 6.49416 6.54501 5.00526 5.71679 6.23142 7.69991 8.6355 5.41704 10.1448 8.73604 numMergedOcc 0
41 mol 134 unq 8 iso 0 dist 9.86662 8.94367 6.81259 4.57832 9.94764 6.23142 11.2292 6.74887 5.3585 8.55616 numMergedOcc 0
42 mol 134 unq 9 iso 0 dist 9.86662 8.94367 6.81259 4.57832 9.94764 6.23142 8.79571 6.17103 5.41704 8.73604 numMergedOcc 0
43 mol 134 unq 10 iso 0 dist 9.71307 6.37586 6.81259 5.29786 9.94764 6.23142 10.9613 6.74887 5.3585 8.55616 numMergedOcc 0
44 mol 134 unq 11 iso 0 dist 9.71307 6.37586 6.81259 5.29786 9.94764 6.23142 5.42582 6.17103 5.41704 8.73604 numMergedOcc 0
45 mol 155 unq 0 iso 0 dist 6.43582 7.46303 7.66392 5.50031 7.92304 12.2416 7.51198 6.34186 5.86939 9.80845 numMergedOcc 0
46 mol 156 unq 0 iso 0 dist 7.44554 8.94056 5.56175 5.4555 9.44367 7.90267 6.27641 7.29758 8.67156 5.81122 numMergedOcc 0
47 mol 156 unq 1 iso 0 dist 7.44554 9.83699 8.38403 5.4555 9.44367 10.3379 6.27641 7.29758 4.53931 5.81122 numMergedOcc 0
48 mol 156 unq 2 iso 0 dist 8.94056 7.44554 5.56175 5.4555 7.90267 9.44367 6.27641 8.67156 7.29758 5.81122 numMergedOcc 0
49 mol 156 unq 3 iso 0 dist 8.94056 9.83699 11.2719 5.4555 7.90267 10.3379 6.27641 8.67156 4.53931 5.81122 numMergedOcc 0
50 mol 175 unq 0 iso 0 dist 6.57069 9.0018 8.16421 8.29015 9.77896 10.4182 9.8589 7.5414 8.22779 5.4997 numMergedOcc 0
51 mol 175 unq 1 iso 0 dist 6.57069 5.6234 5.35493 8.29015 9.77896 11.6765 9.8589 7.5414 10.5631 5.4997 numMergedOcc 0
52 mol 181 unq 0 iso 0 dist 9.1374 5.98885 8.88798 6.6251 6.2479 7.99195 6.94688 6.25083 5.86342 9.06217 numMergedOcc 0
53 mol 181 unq 1 iso 0 dist 9.1374 5.98885 8.88798 6.6251 6.2479 7.99195 6.71012 4.77278 9.14057 7.13252 numMergedOcc 0
54 mol 181 unq 2 iso 0 dist 9.1374 9.15386 12.1628 6.6251 6.2479 12.8533 6.94688 6.25083 6.80228 9.06217 numMergedOcc 0
55 mol 181 unq 3 iso 0 dist 9.1374 9.15386 12.1628 6.6251 6.2479 12.8533 6.71012 4.77278 11.6919 7.13252 numMergedOcc 0
56 mol 181 unq 4 iso 0 dist 9.1374 8.03334 13.2049 8.91338 8.90963 16.082 13.2702 8.25067 19.5806 5.95304 numMergedOcc 0
57 mol 181 unq 5 iso 0 dist 8.03334 9.1374 13.2049 8.04639 6.59025 10.6908 10.7636 7.07409 10.0524 6.32777 numMergedOcc 0
58 mol 181 unq 6 iso 0 dist 5.98885 9.1374 8.88798 6.6251 7.99195 6.2479 6.94688 5.86342 6.25083 9.06217 numMergedOcc 0
59 mol 181 unq 7 iso 0 dist 5.98885 9.1374 8.88798 6.6251 7.99195 6.2479 6.71012 9.14057 4.77278 7.13252 numMergedOcc 0
60 mol 181 unq 8 iso 0 dist 5.98885 9.15386 5.16002 6.6251 7.99195 12.8533 6.94688 5.86342 6.80228 9.06217 numMergedOcc 0
61 mol 181 unq 9 iso 0 dist 5.98885 9.15386 5.16002 6.6251 7.99195 12.8533 6.71012 9.14057 11.6919 7.13252 numMergedOcc 0
62 mol 181 unq 10 iso 0 dist 5.98885 9.09537 10.1912 9.81073 8.90963 18.0578 10.8351 8.25067 17.441 5.95304 numMergedOcc 0
63 mol 181 unq 11 iso 0 dist 7.63312 7.81386 8.85576 5.63555 5.9176 10.4943 7.98142 9.60512 9.53462 5.97685 numMergedOcc 0
64 mol 181 unq 12 iso 0 dist 7.63312 7.81386 8.85576 5.63555 5.9176 10.4943 7.37327 13.3389 11.1462 8.9289 numMergedOcc 0
65 mol 186 unq 0 iso 0 dist 7.54065 9.70748 13.8792 11.7429 8.73217 17.7621 17.7634 11.7299 20.5617 9.84492 numMergedOcc 0
66 mol 186 unq 1 iso 0 dist 7.54065 8.87694 5.74635 11.7429 8.73217 14.2425 17.7634 11.7299 16.5372 9.84492 numMergedOcc 0
67 mol 227 unq 0 iso 0 dist 7.22101 7.09863 4.39704 10.9607 5.41321 9.74265 8.17891 6.43754 9.13836 7.57454 numMergedOcc 0
68 mol 259 unq 0 iso 0 dist 8.13497 8.53687 10.582 8.41846 7.98231 15.5791 10.9591 11.6195 17.9331 8.71497 numMergedOcc 0
69 mol 259 unq 1 iso 0 dist 7.88519 7.84554 4.86771 8.81835 7.98231 11.6972 7.48005 11.6195 11.8736 8.71497 numMergedOcc 0
70 mol 259 unq 2 iso 0 dist 7.88519 7.46176 6.96053 8.81835 7.98231 7.08526 7.48005 11.6195 5.79468 8.71497 numMergedOcc 0
71 mol 259 unq 3 iso 0 dist 7.88519 9.18903 10.4881 8.81835 7.98231 15.8414 7.48005 11.6195 12.6649 8.71497 numMergedOcc 0
72 mol 259 unq 4 iso 0 dist 7.46176 7.88519 6.96053 8.81835 7.08526 7.98231 7.48005 5.79468 11.6195 8.71497 numMergedOcc 0
73 mol 259 unq 5 iso 0 dist 7.46176 7.84554 7.64658 8.81835 7.08526 11.6972 7.48005 5.79468 11.8736 8.71497 numMergedOcc 0
74 mol 259 unq 6 iso 0 dist 7.46176 9.18903 10.5239 8.81835 7.08526 15.8414 7.48005 5.79468 12.6649 8.71497 numMergedOcc 0
75 mol 264 unq 0 iso 0 dist 6.24356 9.361 10.3202 7.52936 5.93616 13.2142 9.0012 5.12409 9.74238 5.91213 numMergedOcc 0
76 mol 264 unq 1 iso 0 dist 6.24356 9.361 10.3202 7.52936 5.93616 13.2142 9.5784 9.67998 9.85579 7.34094 numMergedOcc 0
