0 mol 8 unq 0 iso 0 dist 9.62879 7.18019 4.36226 9.01112 7.12261 4.1204 8.4069 8.96553 8.53529 12.536 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.86116 8.60554 8.52463 8.09311 11.6226 15.4445 10.0952 6.86014 7.29868 16.0162 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 8.86116 8.60554 8.52463 9.05357 13.1949 11.8971 10.0952 6.86014 7.29868 16.8554 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 8.86116 8.44664 10.971 8.09311 11.6226 3.84336 10.0952 6.86014 16.1126 16.0162 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 8.86116 8.44664 10.971 9.05357 13.1949 7.01276 10.0952 6.86014 16.1126 16.8554 numMergedOcc 0
5 mol 24 unq 4 iso 0 dist 8.86116 9.44691 13.4893 8.09311 11.6226 13.0295 10.0952 6.86014 15.8209 16.0162 numMergedOcc 0
6 mol 24 unq 5 iso 0 dist 8.86116 9.44691 13.4893 9.05357 13.1949 4.02219 10.0952 6.86014 15.8209 16.8554 numMergedOcc 0
7 mol 24 unq 6 iso 0 dist 8.86116 9.41441 14.012 7.95042 5.11636 10.0453 6.44287 8.38394 15.392 10.9819 numMergedOcc 0
8 mol 24 unq 7 iso 0 dist 5.54419 8.70827 5.59311 6.6219 4.82629 4.04519 12.3067 7.36323 9.12854 11.0181 numMergedOcc 0
9 mol 24 unq 8 iso 0 dist 5.54419 8.70827 5.59311 5.68215 10.1698 13.7009 12.3067 7.36323 9.12854 17.003 numMergedOcc 0
10 mol 24 unq 9 iso 0 dist 5.54419 6.73939 12.176 6.6219 4.82629 12.5545 12.3067 7.36323 18.673 11.0181 numMergedOcc 0
11 mol 24 unq 10 iso 0 dist 5.54419 6.73939 12.176 5.68215 10.1698 4.08755 12.3067 7.36323 18.673 17.003 numMergedOcc 0
12 mol 24 unq 11 iso 0 dist 7.36323 9.12854 5.59311 8.87744 6.28159 9.86385 12.3067 5.54419 8.70827 10.4135 numMergedOcc 0
13 mol 24 unq 12 iso 0 dist 7.36323 9.12854 5.59311 7.27472 5.50396 10.4353 12.3067 5.54419 8.70827 9.33482 numMergedOcc 0
14 mol 25 unq 0 iso 0 dist 6.03987 6.85556 5.68392 7.99919 4.77954 6.19011 4.51512 7.31767 9.79094 11.0249 numMergedOcc 0
15 mol 58 unq 0 iso 0 dist 6.62496 5.93884 5.78774 9.22598 9.87158 5.66912 5.30792 6.86465 9.92355 13.3281 numMergedOcc 0
16 mol 58 unq 1 iso 0 dist 6.62496 5.93884 5.78774 9.22598 9.87158 5.66912 4.81926 6.35756 7.68678 8.96727 numMergedOcc 0
17 mol 58 unq 2 iso 0 dist 6.35756 7.68678 5.78774 8.96727 9.87158 5.66912 5.35073 6.86465 9.92355 13.3281 numMergedOcc 0
18 mol 58 unq 3 iso 0 dist 6.35756 7.68678 5.78774 8.96727 9.87158 5.66912 4.81926 6.62496 5.93884 9.22598 numMergedOcc 0
19 mol 58 unq 4 iso 0 dist 6.35756 7.68678 5.78774 8.01308 5.86526 5.76523 5.35073 6.86465 9.92355 11.5155 numMergedOcc 0
20 mol 58 unq 5 iso 0 dist 6.35756 7.68678 5.78774 8.01308 5.86526 5.76523 4.81926 6.62496 5.93884 9.55996 numMergedOcc 0
21 mol 60 unq 0 iso 0 dist 8.7531 9.90939 7.04075 8.4312 8.62476 5.85676 7.29309 8.33063 10.5084 12.8147 numMergedOcc 0
22 mol 60 unq 1 iso 0 dist 8.7531 9.90939 7.04075 8.4312 8.62476 5.85676 5.67502 6.43294 10.1323 7.57295 numMergedOcc 0
23 mol 72 unq 0 iso 0 dist 9.96708 9.27838 11.6378 7.12321 7.47371 14.005 8.24309 9.78528 16.0048 6.21799 numMergedOcc 0
24 mol 85 unq 0 iso 0 dist 6.19965 7.54568 8.09967 7.7068 4.41789 4.93735 5.42586 7.97049 10.0796 10.2413 numMergedOcc 0
25 mol 85 unq 1 iso 0 dist 7.66905 7.54568 4.65335 7.7068 5.59906 4.93735 5.42586 7.47541 10.0796 10.2413 numMergedOcc 0
26 mol 85 unq 2 iso 0 dist 7.66905 7.54568 4.65335 7.7068 5.59906 4.93735 10.1164 5.73196 9.39864 11.2056 numMergedOcc 0
27 mol 95 unq 0 iso 0 dist 8.03644 9.49454 11.4333 8.27883 15.6249 15.7954 8.41707 7.27724 12.1092 15.6447 numMergedOcc 0
28 mol 95 unq 1 iso 0 dist 8.03644 9.49454 11.4333 5.75428 12.4896 10.4348 8.41707 7.27724 12.1092 14.0772 numMergedOcc 0
29 mol 95 unq 2 iso 0 dist 8.03644 9.49454 11.4333 8.57395 14.2178 5.88327 8.41707 7.27724 12.1092 14.1515 numMergedOcc 0
30 mol 95 unq 3 iso 0 dist 8.03644 9.49454 11.4333 9.85409 8.78079 3.96826 8.41707 7.27724 12.1092 10.3132 numMergedOcc 0
31 mol 98 unq 0 iso 0 dist 5.08437 6.7117 7.06961 5.10496 3.9764 3.94967 9.51923 6.48948 9.42961 5.92242 numMergedOcc 0
32 mol 98 unq 1 iso 0 dist 5.08437 6.7117 7.06961 5.10496 3.9764 3.94967 8.40073 6.10456 4.47349 5.2571 numMergedOcc 0
33 mol 98 unq 2 iso 0 dist 6.10456 4.47349 7.06961 7.54889 10.4782 3.92737 8.40073 5.08437 6.7117 9.81956 numMergedOcc 0
34 mol 98 unq 3 iso 0 dist 6.10456 4.47349 7.06961 7.54889 10.4782 3.92737 9.42358 6.48948 9.42961 10.8223 numMergedOcc 0
35 mol 98 unq 4 iso 0 dist 6.10456 4.47349 7.06961 5.2571 3.9764 3.94967 8.40073 5.08437 6.7117 5.10496 numMergedOcc 0
36 mol 98 unq 5 iso 0 dist 6.10456 4.47349 7.06961 5.2571 3.9764 3.94967 9.42358 6.48948 9.42961 5.92242 numMergedOcc 0
37 mol 100 unq 0 iso 0 dist 7.47343 7.38135 11.2312 7.82475 5.9143 7.55779 8.8807 6.65086 15.4031 11.9928 numMergedOcc 0
38 mol 100 unq 1 iso 0 dist 7.47343 7.38135 11.2312 7.82475 5.9143 7.55779 12.6515 6.56369 17.2419 10.694 numMergedOcc 0
39 mol 100 unq 2 iso 0 dist 7.47343 7.38135 11.2312 7.82475 5.9143 7.55779 13.887 9.30209 19.8941 14.966 numMergedOcc 0
40 mol 100 unq 3 iso 0 dist 7.47343 7.38135 11.2312 5.35782 5.47563 8.00947 8.8807 6.65086 15.4031 9.94341 numMergedOcc 0
41 mol 100 unq 4 iso 0 dist 7.47343 7.38135 11.2312 5.35782 5.47563 8.00947 12.6515 6.56369 17.2419 9.82522 numMergedOcc 0
42 mol 100 unq 5 iso 0 dist 7.47343 7.38135 11.2312 5.35782 5.47563 8.00947 13.887 9.30209 19.8941 13.4844 numMergedOcc 0
43 mol 129 unq 0 iso 0 dist 5.83384 9.36851 10.7293 5.58833 9.00231 9.30433 9.05135 9.61051 16.0242 14.5521 numMergedOcc 0
44 mol 129 unq 1 iso 0 dist 5.83384 4.97175 7.29399 5.58833 9.00231 4.28744 9.05135 9.61051 13.4182 14.5521 numMergedOcc 0
45 mol 133 unq 0 iso 0 dist 7.24514 7.71248 4.34568 8.26547 5.03174 8.88402 6.761 9.91388 9.97654 12.4934 numMergedOcc 0
46 mol 133 unq 1 iso 0 dist 7.24514 7.71248 4.34568 8.26547 5.03174 8.88402 7.6656 9.52634 6.66772 13.5471 numMergedOcc 0
47 mol 133 unq 2 iso 0 dist 8.22656 7.71248 10.6025 8.26547 4.88025 8.88402 5.61668 6.82262 12.4749 9.05342 numMergedOcc 0
48 mol 134 unq 0 iso 0 dist 8.94367 6.23142 4.57832 9.33094 7.41373 6.93712 6.81259 9.86662 9.94764 8.69531 numMergedOcc 0
49 mol 134 unq 1 iso 0 dist 6.37586 6.23142 5.29786 9.33094 10.8635 6.93712 6.81259 9.71307 9.94764 8.69531 numMergedOcc 0
50 mol 134 unq 2 iso 0 dist 6.49416 6.23142 5.71679 9.33094 12.3479 6.93712 5.00526 6.54501 7.69991 11.2896 numMergedOcc 0
51 mol 134 unq 3 iso 0 dist 9.86662 9.94764 4.57832 9.1998 12.8086 11.5269 6.81259 8.94367 6.23142 11.0808 numMergedOcc 0
52 mol 134 unq 4 iso 0 dist 9.86662 9.94764 4.57832 8.69531 7.41373 6.93712 6.81259 8.94367 6.23142 9.33094 numMergedOcc 0
53 mol 134 unq 5 iso 0 dist 9.71307 9.94764 5.29786 9.1998 15.0225 11.5269 6.81259 6.37586 6.23142 11.0808 numMergedOcc 0
54 mol 134 unq 6 iso 0 dist 9.71307 9.94764 5.29786 8.69531 10.8635 6.93712 6.81259 6.37586 6.23142 9.33094 numMergedOcc 0
55 mol 181 unq 0 iso 0 dist 9.1374 6.2479 6.6251 9.76212 12.9532 6.39406 8.88798 5.98885 7.99195 13.2783 numMergedOcc 0
56 mol 181 unq 1 iso 0 dist 9.1374 6.2479 6.6251 9.76212 12.9532 6.39406 12.1628 9.15386 12.8533 18.2853 numMergedOcc 0
57 mol 186 unq 0 iso 0 dist 7.54065 8.73217 11.7429 6.61112 11.0961 4.03697 13.8792 9.70748 17.7621 18.4751 numMergedOcc 0
58 mol 186 unq 1 iso 0 dist 7.54065 8.73217 11.7429 6.61112 11.0961 4.03697 5.74635 8.87694 14.2425 11.456 numMergedOcc 0
59 mol 259 unq 0 iso 0 dist 8.13497 7.98231 8.41846 9.46361 12.2293 4.10176 10.582 8.53687 15.5791 18.7675 numMergedOcc 0
60 mol 259 unq 1 iso 0 dist 7.88519 7.98231 8.81835 9.46361 11.6988 4.10176 4.86771 7.84554 11.6972 12.8903 numMergedOcc 0
61 mol 259 unq 2 iso 0 dist 7.88519 7.98231 8.81835 9.46361 11.6988 4.10176 6.96053 7.46176 7.08526 6.95511 numMergedOcc 0
62 mol 259 unq 3 iso 0 dist 7.88519 7.98231 8.81835 9.46361 11.6988 4.10176 10.4881 9.18903 15.8414 17.104 numMergedOcc 0
63 mol 259 unq 4 iso 0 dist 7.46176 7.08526 8.81835 5.85442 10.067 4.47425 6.96053 7.88519 7.98231 10.3406 numMergedOcc 0
64 mol 259 unq 5 iso 0 dist 7.46176 7.08526 8.81835 5.85442 10.067 4.47425 7.64658 7.84554 11.6972 12.8546 numMergedOcc 0
65 mol 259 unq 6 iso 0 dist 7.46176 7.08526 8.81835 5.85442 10.067 4.47425 10.5239 9.18903 15.8414 16.0301 numMergedOcc 0
66 mol 259 unq 7 iso 0 dist 7.46176 7.08526 8.81835 6.95511 11.6988 4.10176 6.96053 7.88519 7.98231 9.46361 numMergedOcc 0
67 mol 259 unq 8 iso 0 dist 7.46176 7.08526 8.81835 6.95511 11.6988 4.10176 7.64658 7.84554 11.6972 12.8903 numMergedOcc 0
68 mol 259 unq 9 iso 0 dist 7.46176 7.08526 8.81835 6.95511 11.6988 4.10176 10.5239 9.18903 15.8414 17.104 numMergedOcc 0
69 mol 273 unq 0 iso 0 dist 9.01049 8.49177 9.25493 9.59325 12.2939 3.78984 7.03728 6.92774 12.8175 14.6946 numMergedOcc 0
70 mol 273 unq 1 iso 0 dist 9.01049 8.49177 9.25493 9.59325 12.2939 3.78984 8.05475 9.2983 12.7219 15.4762 numMergedOcc 0
