0 mol 7 unq 0 iso 0 dist 8.41585 5.99459 6.88805 12.8323 9.87885 12.8006 12.2041 10.5461 9.67164 7.12508 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.41585 9.87885 12.8323 6.88805 5.99459 12.8006 13.2247 12.2333 6.1206 13.156 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 7.10621 9.67164 13.156 7.12508 6.1206 12.8006 12.2041 12.2333 5.99459 12.8323 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 7.10621 9.67164 13.156 11.143 7.67927 17.4215 12.2041 12.2333 5.99459 16.5681 numMergedOcc 0
4 mol 7 unq 4 iso 0 dist 7.10621 6.1206 7.12508 13.156 9.67164 12.8006 13.2247 10.5461 9.87885 6.88805 numMergedOcc 0
5 mol 25 unq 0 iso 0 dist 5.04899 9.49421 13.6145 6.47509 7.05196 10.156 10.9391 11.9561 9.48085 5.63212 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 5.73819 6.75943 4.96926 5.07458 6.66407 8.34145 8.13395 10.5523 6.6263 10.8828 numMergedOcc 0
7 mol 72 unq 0 iso 0 dist 9.96708 7.12321 7.47371 5.69391 9.55118 10.6668 5.36766 10.8086 9.74228 3.94376 numMergedOcc 0
8 mol 72 unq 1 iso 0 dist 9.96708 7.12321 7.47371 5.69391 9.55118 10.6668 8.24309 9.78528 6.21799 9.78221 numMergedOcc 0
9 mol 72 unq 2 iso 0 dist 9.96708 7.12321 7.47371 13.4212 9.10345 13.9797 5.36766 10.8086 9.74228 10.1959 numMergedOcc 0
10 mol 72 unq 3 iso 0 dist 9.96708 7.12321 7.47371 13.4212 9.10345 13.9797 8.24309 9.78528 6.21799 11.6634 numMergedOcc 0
11 mol 72 unq 4 iso 0 dist 9.78528 6.21799 7.47371 9.78221 9.55118 10.6668 7.04035 10.8086 9.74228 3.94376 numMergedOcc 0
12 mol 72 unq 5 iso 0 dist 9.78528 6.21799 7.47371 9.78221 9.55118 10.6668 8.24309 9.96708 7.12321 5.69391 numMergedOcc 0
13 mol 72 unq 6 iso 0 dist 9.78528 6.21799 7.47371 11.6634 9.10345 13.9797 7.04035 10.8086 9.74228 10.1959 numMergedOcc 0
14 mol 72 unq 7 iso 0 dist 9.78528 6.21799 7.47371 11.6634 9.10345 13.9797 8.24309 9.96708 7.12321 13.4212 numMergedOcc 0
15 mol 72 unq 8 iso 0 dist 9.78528 5.03251 9.67587 9.78221 9.55118 12.6707 5.8486 15.1902 9.56773 11.6805 numMergedOcc 0
16 mol 72 unq 9 iso 0 dist 9.78528 5.03251 9.67587 11.6634 9.10345 14.9302 5.8486 15.1902 9.56773 15.0472 numMergedOcc 0
17 mol 95 unq 0 iso 0 dist 8.03644 8.27883 15.6249 11.3215 9.3948 17.5698 6.59884 11.3446 7.7152 10.6507 numMergedOcc 0
18 mol 95 unq 1 iso 0 dist 8.03644 8.27883 15.6249 5.06946 9.74607 9.9573 6.59884 11.3446 7.7152 4.90856 numMergedOcc 0
19 mol 109 unq 0 iso 0 dist 8.69985 8.52024 5.00433 4.69373 7.07971 9.09348 7.15843 13.1098 9.89083 10.9531 numMergedOcc 0
20 mol 115 unq 0 iso 0 dist 7.30858 9.42082 15.3161 5.03039 6.04595 14.3113 7.69052 13.8473 6.39384 11.1447 numMergedOcc 0
21 mol 115 unq 1 iso 0 dist 9.33865 6.39384 6.63111 6.95773 6.24825 7.65564 7.69052 5.83991 9.42082 6.01673 numMergedOcc 0
22 mol 115 unq 2 iso 0 dist 5.83991 9.42082 6.63111 6.01673 6.24825 7.65564 7.69052 9.33865 6.39384 6.95773 numMergedOcc 0
23 mol 117 unq 0 iso 0 dist 7.83136 8.19331 3.55765 3.77029 8.84018 10.2505 7.21564 7.0603 8.85711 5.21535 numMergedOcc 0
24 mol 117 unq 1 iso 0 dist 7.0603 8.85711 3.55765 5.21535 8.84018 10.2505 7.21564 7.83136 8.19331 3.77029 numMergedOcc 0
25 mol 133 unq 0 iso 0 dist 8.22656 8.26547 4.88025 6.9945 7.22643 7.48208 5.61668 6.82262 9.05342 4.19723 numMergedOcc 0
26 mol 133 unq 1 iso 0 dist 6.82262 9.05342 4.88025 4.19723 7.22643 7.48208 5.61668 8.22656 8.26547 6.9945 numMergedOcc 0
27 mol 134 unq 0 iso 0 dist 8.94367 7.21868 8.06642 7.41373 9.33094 8.62504 5.62899 11.7385 9.66543 4.46337 numMergedOcc 0
28 mol 134 unq 1 iso 0 dist 8.94367 7.21868 8.06642 7.41373 9.33094 8.62504 5.49782 6.37586 7.93372 10.8635 numMergedOcc 0
29 mol 134 unq 2 iso 0 dist 8.94367 9.33094 7.41373 8.06642 7.21868 8.62504 6.81259 9.86662 8.69531 4.00092 numMergedOcc 0
30 mol 134 unq 3 iso 0 dist 6.37586 7.93372 8.06642 10.8635 9.33094 8.62504 10.7144 11.7385 9.66543 4.46337 numMergedOcc 0
31 mol 134 unq 4 iso 0 dist 6.37586 7.93372 8.06642 10.8635 9.33094 8.62504 5.49782 8.94367 7.21868 7.41373 numMergedOcc 0
32 mol 134 unq 5 iso 0 dist 6.37586 9.33094 10.8635 6.95573 9.33924 15.9693 6.81259 9.71307 8.69531 10.2026 numMergedOcc 0
33 mol 134 unq 6 iso 0 dist 6.37586 9.33094 10.8635 8.06642 7.93372 8.62504 6.81259 9.71307 8.69531 4.00092 numMergedOcc 0
34 mol 134 unq 7 iso 0 dist 9.86662 7.21868 4.00092 12.8086 9.1998 11.2397 5.62899 11.3835 9.66543 10.092 numMergedOcc 0
35 mol 134 unq 8 iso 0 dist 9.86662 7.21868 4.00092 12.8086 9.1998 11.2397 5.49782 9.71307 7.93372 15.0225 numMergedOcc 0
36 mol 134 unq 9 iso 0 dist 9.86662 7.21868 4.00092 7.41373 8.69531 8.62504 5.62899 11.3835 9.66543 4.46337 numMergedOcc 0
37 mol 134 unq 10 iso 0 dist 9.86662 7.21868 4.00092 7.41373 8.69531 8.62504 5.49782 9.71307 7.93372 10.8635 numMergedOcc 0
38 mol 134 unq 11 iso 0 dist 9.86662 9.1998 12.8086 4.00092 7.21868 11.2397 11.6064 15.281 6.42772 14.4207 numMergedOcc 0
39 mol 134 unq 12 iso 0 dist 9.86662 9.1998 12.8086 4.00092 7.21868 11.2397 7.09823 14.0375 8.70621 8.53318 numMergedOcc 0
40 mol 134 unq 13 iso 0 dist 9.86662 8.69531 7.41373 4.00092 7.21868 8.62504 6.81259 8.94367 9.33094 8.06642 numMergedOcc 0
41 mol 134 unq 14 iso 0 dist 9.71307 7.93372 4.00092 15.0225 9.1998 11.2397 10.7144 11.3835 9.66543 10.092 numMergedOcc 0
42 mol 134 unq 15 iso 0 dist 9.71307 7.93372 4.00092 15.0225 9.1998 11.2397 5.49782 9.86662 7.21868 12.8086 numMergedOcc 0
43 mol 134 unq 16 iso 0 dist 9.71307 7.93372 4.00092 10.8635 8.69531 8.62504 10.7144 11.3835 9.66543 4.46337 numMergedOcc 0
44 mol 134 unq 17 iso 0 dist 9.71307 7.93372 4.00092 10.8635 8.69531 8.62504 5.49782 9.86662 7.21868 7.41373 numMergedOcc 0
45 mol 134 unq 18 iso 0 dist 9.71307 9.1998 15.0225 10.2026 9.33924 17.0908 11.6064 15.6507 6.42772 15.5603 numMergedOcc 0
46 mol 134 unq 19 iso 0 dist 9.71307 9.1998 15.0225 10.2026 9.33924 17.0908 7.09823 15.9508 8.70621 17.0714 numMergedOcc 0
47 mol 134 unq 20 iso 0 dist 9.71307 9.1998 15.0225 4.00092 7.93372 11.2397 11.6064 15.6507 6.42772 14.4207 numMergedOcc 0
48 mol 134 unq 21 iso 0 dist 9.71307 9.1998 15.0225 4.00092 7.93372 11.2397 7.09823 15.9508 8.70621 8.53318 numMergedOcc 0
49 mol 134 unq 22 iso 0 dist 9.71307 8.69531 10.8635 10.2026 9.33924 15.9693 6.81259 6.37586 9.33094 6.95573 numMergedOcc 0
50 mol 134 unq 23 iso 0 dist 9.71307 8.69531 10.8635 4.00092 7.93372 8.62504 6.81259 6.37586 9.33094 8.06642 numMergedOcc 0
51 mol 238 unq 0 iso 0 dist 7.31233 9.12776 10.3162 11.0772 9.08509 9.51483 15.7907 19.5656 9.72188 16.2734 numMergedOcc 0
52 mol 238 unq 1 iso 0 dist 7.31233 9.08509 11.0772 10.3162 9.12776 9.51483 10.1813 11.5794 6.99888 4.48415 numMergedOcc 0
53 mol 259 unq 0 iso 0 dist 8.13497 9.07743 8.8603 12.2293 9.46361 17.0531 4.69778 7.88519 7.66153 11.6988 numMergedOcc 0
54 mol 259 unq 1 iso 0 dist 8.13497 9.46361 12.2293 8.8603 9.07743 17.0531 6.96053 10.3935 6.95511 11.8896 numMergedOcc 0
55 mol 259 unq 2 iso 0 dist 7.88519 7.66153 8.8603 11.6988 9.46361 17.0531 4.69778 8.13497 9.07743 12.2293 numMergedOcc 0
56 mol 259 unq 3 iso 0 dist 7.88519 9.46361 11.6988 7.20604 9.63573 11.2395 6.96053 7.46176 6.95511 5.21606 numMergedOcc 0
57 mol 259 unq 4 iso 0 dist 7.88519 9.46361 11.6988 8.8603 7.66153 17.0531 6.96053 7.46176 6.95511 11.8896 numMergedOcc 0
58 mol 259 unq 5 iso 0 dist 7.46176 7.66153 11.8896 10.067 5.85442 16.4118 4.69778 10.3935 9.07743 11.4598 numMergedOcc 0
59 mol 259 unq 6 iso 0 dist 7.46176 7.66153 11.8896 11.6988 6.95511 17.0531 4.69778 10.3935 9.07743 12.2293 numMergedOcc 0
60 mol 259 unq 7 iso 0 dist 7.46176 5.85442 10.067 5.21606 9.63573 10.9441 9.98105 12.0576 6.9899 14.6375 numMergedOcc 0
61 mol 259 unq 8 iso 0 dist 7.46176 5.85442 10.067 11.8896 7.66153 16.4118 9.98105 12.0576 6.9899 19.2084 numMergedOcc 0
62 mol 259 unq 9 iso 0 dist 7.46176 6.95511 11.6988 5.21606 9.63573 11.2395 6.96053 7.88519 9.46361 7.20604 numMergedOcc 0
63 mol 259 unq 10 iso 0 dist 7.46176 6.95511 11.6988 11.8896 7.66153 17.0531 6.96053 7.88519 9.46361 8.8603 numMergedOcc 0
