0 mol 8 unq 0 iso 0 dist 8.96553 9.62879 8.4069 4.36226 8.53529 7.18019 7.12261 12.536 9.01112 4.1204 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 6.86014 8.86116 10.0952 4.32034 7.33768 12.9284 11.6226 16.0162 8.09311 15.7403 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 6.86014 8.86116 10.0952 4.32034 7.33768 12.9284 13.1949 16.8554 9.05357 16.8505 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 6.86014 8.86116 10.0952 8.67951 9.01567 13.4393 11.6226 16.0162 8.09311 18.4902 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 6.86014 8.86116 10.0952 8.67951 9.01567 13.4393 13.1949 16.8554 9.05357 15.0276 numMergedOcc 0
5 mol 24 unq 4 iso 0 dist 6.86014 8.86116 10.0952 8.52463 7.29868 8.60554 11.6226 16.0162 8.09311 15.4445 numMergedOcc 0
6 mol 24 unq 5 iso 0 dist 6.86014 8.86116 10.0952 8.52463 7.29868 8.60554 13.1949 16.8554 9.05357 11.8971 numMergedOcc 0
7 mol 24 unq 6 iso 0 dist 5.54419 7.36323 12.3067 5.59311 8.70827 9.12854 6.28159 10.4135 8.87744 9.86385 numMergedOcc 0
8 mol 24 unq 7 iso 0 dist 5.54419 7.36323 12.3067 5.59311 8.70827 9.12854 5.50396 9.33482 7.27472 10.4353 numMergedOcc 0
9 mol 24 unq 8 iso 0 dist 5.54419 7.36323 12.3067 12.176 6.73939 18.673 6.28159 10.4135 8.87744 15.9573 numMergedOcc 0
10 mol 24 unq 9 iso 0 dist 5.54419 7.36323 12.3067 12.176 6.73939 18.673 5.50396 9.33482 7.27472 14.7634 numMergedOcc 0
11 mol 24 unq 10 iso 0 dist 7.36323 5.54419 12.3067 5.59311 9.12854 8.70827 4.82629 11.0181 6.6219 4.04519 numMergedOcc 0
12 mol 24 unq 11 iso 0 dist 7.36323 5.54419 12.3067 5.59311 9.12854 8.70827 10.1698 17.003 5.68215 13.7009 numMergedOcc 0
13 mol 43 unq 0 iso 0 dist 6.20293 5.73819 5.06502 8.38399 8.95682 12.3649 5.07458 10.0168 6.66407 12.8935 numMergedOcc 0
14 mol 58 unq 0 iso 0 dist 6.86465 6.62496 5.30792 5.78774 9.92355 5.93884 9.87158 13.3281 9.22598 5.66912 numMergedOcc 0
15 mol 58 unq 1 iso 0 dist 6.86465 6.35756 5.35073 5.78774 9.92355 7.68678 9.87158 13.3281 8.96727 5.66912 numMergedOcc 0
16 mol 58 unq 2 iso 0 dist 6.86465 6.35756 5.35073 5.78774 9.92355 7.68678 5.86526 11.5155 8.01308 5.76523 numMergedOcc 0
17 mol 58 unq 3 iso 0 dist 6.62496 6.35756 4.81926 5.78774 5.93884 7.68678 9.87158 9.22598 8.96727 5.66912 numMergedOcc 0
18 mol 58 unq 4 iso 0 dist 6.62496 6.35756 4.81926 5.78774 5.93884 7.68678 5.86526 9.55996 8.01308 5.76523 numMergedOcc 0
19 mol 58 unq 5 iso 0 dist 6.35756 6.62496 4.81926 5.78774 7.68678 5.93884 9.87158 8.96727 9.22598 5.66912 numMergedOcc 0
20 mol 58 unq 6 iso 0 dist 9.55426 9.4099 10.6169 5.74871 7.21955 12.3035 8.55984 15.6595 9.08221 12.4504 numMergedOcc 0
21 mol 60 unq 0 iso 0 dist 8.7531 6.43294 5.67502 7.04075 9.90939 10.1323 8.62476 8.4312 7.57295 5.85676 numMergedOcc 0
22 mol 72 unq 0 iso 0 dist 9.96708 9.78528 8.24309 11.6378 9.27838 16.0048 7.47371 7.12321 6.21799 14.005 numMergedOcc 0
23 mol 72 unq 1 iso 0 dist 9.96708 9.78528 8.24309 11.6378 9.27838 16.0048 9.67587 9.35457 5.03251 17.0868 numMergedOcc 0
24 mol 72 unq 2 iso 0 dist 9.96708 9.78528 8.24309 11.6378 9.27838 16.0048 7.07356 12.1131 7.66093 17.5421 numMergedOcc 0
25 mol 85 unq 0 iso 0 dist 7.97049 6.19965 5.42586 9.29301 9.82915 12.0078 4.41789 10.2413 7.7068 13.4588 numMergedOcc 0
26 mol 85 unq 1 iso 0 dist 7.47541 7.66905 5.42586 13.5116 9.82915 12.0078 5.59906 10.2413 7.7068 13.4588 numMergedOcc 0
27 mol 85 unq 2 iso 0 dist 5.73196 7.66905 10.1164 4.65335 9.39864 7.54568 5.59906 11.2056 7.7068 4.93735 numMergedOcc 0
28 mol 98 unq 0 iso 0 dist 5.08437 6.48948 9.51923 7.06961 6.7117 9.42961 3.9764 5.10496 5.92242 3.94967 numMergedOcc 0
29 mol 98 unq 1 iso 0 dist 5.08437 6.48948 9.51923 7.06961 6.7117 9.42961 7.03983 9.89095 7.02507 13.4954 numMergedOcc 0
30 mol 98 unq 2 iso 0 dist 5.08437 6.10456 8.40073 7.06961 6.7117 4.47349 10.4782 9.81956 7.54889 3.92737 numMergedOcc 0
31 mol 98 unq 3 iso 0 dist 5.08437 6.10456 8.40073 7.06961 6.7117 4.47349 3.9764 5.10496 5.2571 3.94967 numMergedOcc 0
32 mol 98 unq 4 iso 0 dist 6.10456 5.08437 8.40073 7.06961 4.47349 6.7117 3.9764 5.2571 5.10496 3.94967 numMergedOcc 0
33 mol 98 unq 5 iso 0 dist 6.10456 6.48948 9.42358 7.06961 4.47349 9.42961 3.9764 5.2571 5.92242 3.94967 numMergedOcc 0
34 mol 98 unq 6 iso 0 dist 6.10456 6.48948 9.42358 7.06961 4.47349 9.42961 7.03983 12.7417 7.02507 13.4954 numMergedOcc 0
35 mol 100 unq 0 iso 0 dist 7.17106 9.60661 11.5403 10.6848 7.10378 14.8081 4.03277 10.5432 8.91882 12.48 numMergedOcc 0
36 mol 100 unq 1 iso 0 dist 7.47343 6.65086 8.8807 11.2312 7.38135 15.4031 6.23008 9.76432 8.91882 12.0033 numMergedOcc 0
37 mol 131 unq 0 iso 0 dist 6.85062 8.40312 10.7062 14.2045 8.70296 18.0058 3.98662 10.7579 9.27976 18.0802 numMergedOcc 0
38 mol 131 unq 1 iso 0 dist 6.85062 8.40312 10.7062 5.09131 9.25558 13.44 3.98662 10.7579 9.27976 6.06126 numMergedOcc 0
39 mol 133 unq 0 iso 0 dist 9.91388 7.24514 6.761 4.34568 9.97654 7.71248 5.03174 12.4934 8.26547 8.88402 numMergedOcc 0
40 mol 133 unq 1 iso 0 dist 9.52634 7.24514 7.6656 4.34568 6.66772 7.71248 5.03174 13.5471 8.26547 8.88402 numMergedOcc 0
41 mol 133 unq 2 iso 0 dist 8.22656 6.82262 5.61668 10.6025 7.71248 12.4749 4.88025 8.26547 9.05342 8.88402 numMergedOcc 0
42 mol 133 unq 3 iso 0 dist 7.11802 8.00618 8.18495 16.0138 9.22232 12.7901 15.0115 12.5855 8.77023 12.3375 numMergedOcc 0
43 mol 133 unq 4 iso 0 dist 7.11802 8.00618 8.18495 5.92062 9.22661 13.5028 15.0115 12.5855 8.77023 19.114 numMergedOcc 0
44 mol 133 unq 5 iso 0 dist 7.11802 8.00618 8.18495 6.61891 7.56378 11.8433 15.0115 12.5855 8.77023 19.0745 numMergedOcc 0
45 mol 134 unq 0 iso 0 dist 6.54501 6.49416 5.00526 5.71679 7.69991 6.23142 12.3479 11.2896 9.33094 6.93712 numMergedOcc 0
46 mol 134 unq 1 iso 0 dist 8.94367 9.86662 6.81259 4.57832 6.23142 9.94764 12.8086 11.0808 9.1998 11.5269 numMergedOcc 0
47 mol 134 unq 2 iso 0 dist 8.94367 9.86662 6.81259 4.57832 6.23142 9.94764 7.41373 9.33094 8.69531 6.93712 numMergedOcc 0
48 mol 134 unq 3 iso 0 dist 6.37586 9.71307 6.81259 5.29786 6.23142 9.94764 15.0225 11.0808 9.1998 11.5269 numMergedOcc 0
49 mol 134 unq 4 iso 0 dist 6.37586 9.71307 6.81259 5.29786 6.23142 9.94764 10.8635 9.33094 8.69531 6.93712 numMergedOcc 0
50 mol 134 unq 5 iso 0 dist 6.49416 8.94367 8.80819 9.87376 7.80532 10.5252 8.06642 11.988 7.21868 15.0575 numMergedOcc 0
51 mol 134 unq 6 iso 0 dist 6.49416 6.37586 5.00817 9.87376 7.80532 10.7586 6.95573 9.55584 9.33924 15.6686 numMergedOcc 0
52 mol 134 unq 7 iso 0 dist 6.49416 6.37586 5.00817 9.87376 7.80532 10.7586 8.06642 11.988 7.93372 15.0575 numMergedOcc 0
53 mol 134 unq 8 iso 0 dist 9.86662 8.94367 6.81259 4.57832 9.94764 6.23142 7.41373 8.69531 9.33094 6.93712 numMergedOcc 0
54 mol 134 unq 9 iso 0 dist 9.71307 6.37586 6.81259 5.29786 9.94764 6.23142 10.8635 8.69531 9.33094 6.93712 numMergedOcc 0
55 mol 181 unq 0 iso 0 dist 5.98885 9.1374 8.88798 5.6044 9.72611 14.2254 12.9532 13.2783 9.76212 18.3137 numMergedOcc 0
56 mol 181 unq 1 iso 0 dist 5.98885 9.1374 8.88798 6.6251 7.99195 6.2479 12.9532 13.2783 9.76212 6.39406 numMergedOcc 0
57 mol 186 unq 0 iso 0 dist 9.70748 7.54065 13.8792 5.4141 7.66165 12.4002 11.0961 18.4751 6.61112 15.1325 numMergedOcc 0
58 mol 234 unq 0 iso 0 dist 6.56247 9.45496 5.88703 4.46561 9.81425 13.293 12.4252 11.6391 7.81215 14.6348 numMergedOcc 0
59 mol 234 unq 1 iso 0 dist 9.36357 6.7625 5.88703 10.641 9.81425 13.293 5.75498 11.6391 7.81215 14.6348 numMergedOcc 0
60 mol 259 unq 0 iso 0 dist 7.88519 7.46176 6.96053 8.81835 7.98231 7.08526 10.067 10.3406 5.85442 4.47425 numMergedOcc 0
61 mol 259 unq 1 iso 0 dist 7.88519 7.46176 6.96053 8.81835 7.98231 7.08526 11.6988 9.46361 6.95511 4.10176 numMergedOcc 0
62 mol 259 unq 2 iso 0 dist 7.46176 7.88519 6.96053 8.81835 7.08526 7.98231 11.6988 6.95511 9.46361 4.10176 numMergedOcc 0
63 mol 273 unq 0 iso 0 dist 9.01049 6.92774 7.03728 9.25493 8.49177 12.8175 5.75897 13.2256 9.21786 13.0403 numMergedOcc 0
