0 mol 26 unq 0 iso 0 dist 8.44506 10.9837 9.5053 7.11305 6.38243 4.76998 7.98005 12.4814 9.11311 8.97754 numMergedOcc 0
1 mol 58 unq 0 iso 0 dist 7.27383 5.85698 6.62229 4.00553 6.87028 5.45005 6.79356 6.21346 6.41008 9.10675 numMergedOcc 0
2 mol 93 unq 0 iso 0 dist 9.81831 4.4022 7.62611 16.1023 7.8435 14.9656 21.9971 12.5638 20.1017 6.67678 numMergedOcc 0
3 mol 93 unq 1 iso 0 dist 9.81831 4.4022 7.62611 16.1023 7.8435 14.9656 21.7795 12.4215 20.0375 7.24956 numMergedOcc 0
4 mol 93 unq 2 iso 0 dist 9.81831 4.4022 7.62611 16.1023 7.8435 14.9656 14.4051 5.99863 11.2438 8.28591 numMergedOcc 0
5 mol 93 unq 3 iso 0 dist 9.81831 4.4022 7.62611 16.1023 7.8435 14.9656 15.275 6.15015 12.0199 9.40687 numMergedOcc 0
6 mol 93 unq 4 iso 0 dist 9.81831 4.4022 7.62611 13.1721 5.99269 11.5397 14.4051 5.99863 11.2438 5.35008 numMergedOcc 0
7 mol 93 unq 5 iso 0 dist 9.81831 4.4022 7.62611 13.1721 5.99269 11.5397 15.275 6.15015 12.0199 8.84576 numMergedOcc 0
8 mol 93 unq 6 iso 0 dist 9.81831 4.4022 7.62611 9.34182 5.71763 5.43515 14.4051 5.99863 11.2438 8.30921 numMergedOcc 0
9 mol 93 unq 7 iso 0 dist 9.81831 4.4022 7.62611 9.34182 5.71763 5.43515 15.275 6.15015 12.0199 7.39732 numMergedOcc 0
10 mol 93 unq 8 iso 0 dist 9.81831 4.4022 7.62611 9.34182 5.71763 5.43515 18.8402 10.9803 14.9939 9.67744 numMergedOcc 0
11 mol 93 unq 9 iso 0 dist 9.12858 8.96224 7.62611 12.4934 7.8435 14.9656 18.9177 12.5638 20.1017 6.67678 numMergedOcc 0
12 mol 93 unq 10 iso 0 dist 9.12858 8.96224 7.62611 12.4934 7.8435 14.9656 18.5963 12.4215 20.0375 7.24956 numMergedOcc 0
13 mol 93 unq 11 iso 0 dist 9.12858 8.96224 7.62611 12.4934 7.8435 14.9656 14.2439 5.99863 11.2438 8.28591 numMergedOcc 0
14 mol 93 unq 12 iso 0 dist 9.12858 8.96224 7.62611 12.4934 7.8435 14.9656 15.2216 6.15015 12.0199 9.40687 numMergedOcc 0
15 mol 93 unq 13 iso 0 dist 9.12858 8.96224 7.62611 11.0537 5.99269 11.5397 14.2439 5.99863 11.2438 5.35008 numMergedOcc 0
16 mol 93 unq 14 iso 0 dist 9.12858 8.96224 7.62611 11.0537 5.99269 11.5397 15.2216 6.15015 12.0199 8.84576 numMergedOcc 0
17 mol 93 unq 15 iso 0 dist 9.12858 8.96224 7.62611 12.0103 5.71763 5.43515 14.2439 5.99863 11.2438 8.30921 numMergedOcc 0
18 mol 93 unq 16 iso 0 dist 9.12858 8.96224 7.62611 12.0103 5.71763 5.43515 15.2216 6.15015 12.0199 7.39732 numMergedOcc 0
19 mol 93 unq 17 iso 0 dist 9.12858 8.96224 7.62611 12.0103 5.71763 5.43515 19.9253 10.9803 14.9939 9.67744 numMergedOcc 0
20 mol 93 unq 18 iso 0 dist 9.4523 10.3849 7.62611 10.8106 7.8435 14.9656 17.12 12.5638 20.1017 6.67678 numMergedOcc 0
21 mol 93 unq 19 iso 0 dist 9.4523 10.3849 7.62611 10.8106 7.8435 14.9656 17.9688 12.4215 20.0375 7.24956 numMergedOcc 0
22 mol 93 unq 20 iso 0 dist 9.4523 10.3849 7.62611 10.8106 7.8435 14.9656 11.2863 5.99863 11.2438 8.28591 numMergedOcc 0
23 mol 93 unq 21 iso 0 dist 9.4523 10.3849 7.62611 10.8106 7.8435 14.9656 14.6786 6.15015 12.0199 9.40687 numMergedOcc 0
24 mol 93 unq 22 iso 0 dist 9.4523 10.3849 7.62611 7.14217 5.99269 11.5397 11.2863 5.99863 11.2438 5.35008 numMergedOcc 0
25 mol 93 unq 23 iso 0 dist 9.4523 10.3849 7.62611 7.14217 5.99269 11.5397 14.6786 6.15015 12.0199 8.84576 numMergedOcc 0
26 mol 93 unq 24 iso 0 dist 9.4523 10.3849 7.62611 12.9351 5.71763 5.43515 11.2863 5.99863 11.2438 8.30921 numMergedOcc 0
27 mol 93 unq 25 iso 0 dist 9.4523 10.3849 7.62611 12.9351 5.71763 5.43515 14.6786 6.15015 12.0199 7.39732 numMergedOcc 0
28 mol 93 unq 26 iso 0 dist 9.4523 10.3849 7.62611 12.9351 5.71763 5.43515 19.377 10.9803 14.9939 9.67744 numMergedOcc 0
29 mol 119 unq 0 iso 0 dist 7.77116 7.20179 8.8562 6.9194 9.6121 12.8661 10.1864 10.7475 14.3143 4.55071 numMergedOcc 0
30 mol 119 unq 1 iso 0 dist 7.77116 9.89358 7.91683 6.9194 9.6121 13.3563 10.1864 10.7475 16.435 4.55071 numMergedOcc 0
31 mol 131 unq 0 iso 0 dist 9.15431 6.51918 5.44303 4.57579 6.78801 6.11089 11.6414 9.93041 8.47526 8.49847 numMergedOcc 0
32 mol 131 unq 1 iso 0 dist 9.15431 9.60968 8.50562 4.57579 6.78801 10.9311 11.6414 9.93041 13.2907 8.49847 numMergedOcc 0
33 mol 131 unq 2 iso 0 dist 6.92648 7.92788 5.44303 8.57203 6.78801 6.11089 15.2551 9.93041 8.47526 8.49847 numMergedOcc 0
34 mol 131 unq 3 iso 0 dist 6.92648 8.23791 8.50562 8.57203 6.78801 10.9311 15.2551 9.93041 13.2907 8.49847 numMergedOcc 0
35 mol 131 unq 4 iso 0 dist 9.29384 13.1439 5.44303 12.6005 6.78801 6.11089 18.8134 9.93041 8.47526 8.49847 numMergedOcc 0
36 mol 131 unq 5 iso 0 dist 9.29384 13.7237 8.50562 12.6005 6.78801 10.9311 18.8134 9.93041 13.2907 8.49847 numMergedOcc 0
37 mol 134 unq 0 iso 0 dist 7.36779 7.1797 9.30061 14.2036 8.48313 16.1483 18.4634 12.7348 21.0045 4.94473 numMergedOcc 0
38 mol 134 unq 1 iso 0 dist 8.20836 4.57832 9.30061 16.4114 8.48313 16.1483 20.8896 12.7348 21.0045 4.94473 numMergedOcc 0
39 mol 186 unq 0 iso 0 dist 9.56197 9.74148 7.46987 6.89047 8.57801 6.18065 14.8324 9.28201 8.72743 8.92135 numMergedOcc 0
40 mol 186 unq 1 iso 0 dist 7.24795 7.30024 7.46987 3.90244 8.57801 6.18065 5.90765 9.28201 8.72743 8.92135 numMergedOcc 0
41 mol 186 unq 2 iso 0 dist 8.64409 11.6919 7.46987 12.6058 8.57801 6.18065 17.3863 9.28201 8.72743 8.92135 numMergedOcc 0
42 mol 186 unq 3 iso 0 dist 7.60202 5.3967 7.46987 7.21555 8.57801 6.18065 13.011 9.28201 8.72743 8.92135 numMergedOcc 0
43 mol 186 unq 4 iso 0 dist 9.83476 10.5063 4.5271 13.6744 7.04815 3.87169 11.8448 6.50208 7.37629 6.94594 numMergedOcc 0
44 mol 186 unq 5 iso 0 dist 9.83476 10.5063 4.5271 13.6744 7.04815 3.87169 10.0218 6.3786 5.68985 5.81881 numMergedOcc 0
45 mol 186 unq 6 iso 0 dist 9.83476 10.5063 4.5271 15.0914 6.07389 5.65634 15.2176 8.54557 11.9345 9.4366 numMergedOcc 0
46 mol 186 unq 7 iso 0 dist 9.83476 14.4429 7.02575 13.6744 7.04815 8.65911 11.8448 6.50208 12.4962 6.94594 numMergedOcc 0
47 mol 186 unq 8 iso 0 dist 9.83476 14.4429 7.02575 13.6744 7.04815 8.65911 10.0218 6.3786 11.8931 5.81881 numMergedOcc 0
48 mol 186 unq 9 iso 0 dist 9.83476 14.4429 7.02575 15.0914 6.07389 3.87082 15.2176 8.54557 8.2241 9.4366 numMergedOcc 0
49 mol 194 unq 0 iso 0 dist 6.26839 11.6598 5.68348 10.0756 5.53324 4.002 9.52922 7.82899 8.13022 4.45769 numMergedOcc 0
50 mol 194 unq 1 iso 0 dist 6.26839 11.6598 5.68348 10.0756 5.53324 4.002 11.7672 10.0237 9.82667 5.89939 numMergedOcc 0
51 mol 194 unq 2 iso 0 dist 8.12346 12.0887 5.68348 10.2793 5.53324 4.002 11.2599 7.82899 8.13022 4.45769 numMergedOcc 0
52 mol 194 unq 3 iso 0 dist 8.12346 12.0887 5.68348 10.2793 5.53324 4.002 11.0369 10.0237 9.82667 5.89939 numMergedOcc 0
53 mol 194 unq 4 iso 0 dist 8.83356 7.11753 5.68348 10.463 5.53324 4.002 14.7152 7.82899 8.13022 4.45769 numMergedOcc 0
54 mol 194 unq 5 iso 0 dist 8.83356 7.11753 5.68348 10.463 5.53324 4.002 15.9798 10.0237 9.82667 5.89939 numMergedOcc 0
55 mol 194 unq 6 iso 0 dist 8.2654 12.8755 5.68348 12.8494 5.53324 4.002 14.7929 7.82899 8.13022 4.45769 numMergedOcc 0
56 mol 194 unq 7 iso 0 dist 8.2654 12.8755 5.68348 12.8494 5.53324 4.002 15.7836 10.0237 9.82667 5.89939 numMergedOcc 0
57 mol 222 unq 0 iso 0 dist 9.2581 5.89689 9.08955 9.01393 7.97027 4.67663 16.7372 9.06039 13.4403 9.79673 numMergedOcc 0
58 mol 222 unq 1 iso 0 dist 9.2581 5.89689 9.08955 9.01393 7.97027 4.67663 10.3894 3.98816 9.30639 6.39673 numMergedOcc 0
59 mol 222 unq 2 iso 0 dist 9.2581 5.89689 9.08955 5.64455 4.9876 6.37382 10.3894 3.98816 9.30639 7.80676 numMergedOcc 0
60 mol 222 unq 3 iso 0 dist 9.2581 8.92719 8.88664 9.01393 7.97027 4.00869 16.7372 9.06039 11.7093 9.79673 numMergedOcc 0
61 mol 222 unq 4 iso 0 dist 9.2581 8.92719 8.88664 9.01393 7.97027 4.00869 10.3894 3.98816 6.24462 6.39673 numMergedOcc 0
62 mol 222 unq 5 iso 0 dist 9.2581 8.92719 8.88664 5.64455 4.9876 9.60662 10.3894 3.98816 6.24462 7.80676 numMergedOcc 0
63 mol 222 unq 6 iso 0 dist 9.2581 5.82526 7.16819 9.01393 7.97027 6.23984 16.7372 9.06039 13.2474 9.79673 numMergedOcc 0
64 mol 222 unq 7 iso 0 dist 9.2581 5.82526 7.16819 9.01393 7.97027 6.23984 10.3894 3.98816 6.02034 6.39673 numMergedOcc 0
65 mol 222 unq 8 iso 0 dist 9.2581 5.82526 7.16819 5.64455 4.9876 7.13962 10.3894 3.98816 6.02034 7.80676 numMergedOcc 0
66 mol 222 unq 9 iso 0 dist 9.62632 10.6944 9.08955 13.3586 7.97027 4.67663 16.4436 9.06039 13.4403 9.79673 numMergedOcc 0
67 mol 222 unq 10 iso 0 dist 9.62632 10.6944 9.08955 13.3586 7.97027 4.67663 13.2354 3.98816 9.30639 6.39673 numMergedOcc 0
68 mol 222 unq 11 iso 0 dist 9.62632 10.6944 9.08955 5.9478 4.9876 6.37382 13.2354 3.98816 9.30639 7.80676 numMergedOcc 0
69 mol 222 unq 12 iso 0 dist 9.62632 15.4372 8.88664 13.3586 7.97027 4.00869 16.4436 9.06039 11.7093 9.79673 numMergedOcc 0
70 mol 222 unq 13 iso 0 dist 9.62632 15.4372 8.88664 13.3586 7.97027 4.00869 13.2354 3.98816 6.24462 6.39673 numMergedOcc 0
71 mol 222 unq 14 iso 0 dist 9.62632 15.4372 8.88664 5.9478 4.9876 9.60662 13.2354 3.98816 6.24462 7.80676 numMergedOcc 0
72 mol 222 unq 15 iso 0 dist 9.62632 12.9388 7.16819 13.3586 7.97027 6.23984 16.4436 9.06039 13.2474 9.79673 numMergedOcc 0
73 mol 222 unq 16 iso 0 dist 9.62632 12.9388 7.16819 13.3586 7.97027 6.23984 13.2354 3.98816 6.02034 6.39673 numMergedOcc 0
74 mol 222 unq 17 iso 0 dist 9.62632 12.9388 7.16819 5.9478 4.9876 7.13962 13.2354 3.98816 6.02034 7.80676 numMergedOcc 0
75 mol 222 unq 18 iso 0 dist 7.862 7.75466 9.08955 8.84507 7.97027 4.67663 11.04 9.06039 13.4403 9.79673 numMergedOcc 0
76 mol 222 unq 19 iso 0 dist 7.862 7.75466 9.08955 8.84507 7.97027 4.67663 10.2446 3.98816 9.30639 6.39673 numMergedOcc 0
77 mol 222 unq 20 iso 0 dist 7.862 7.75466 9.08955 6.02502 4.9876 6.37382 10.2446 3.98816 9.30639 7.80676 numMergedOcc 0
78 mol 222 unq 21 iso 0 dist 7.862 12.1951 8.88664 8.84507 7.97027 4.00869 11.04 9.06039 11.7093 9.79673 numMergedOcc 0
79 mol 222 unq 22 iso 0 dist 7.862 12.1951 8.88664 8.84507 7.97027 4.00869 10.2446 3.98816 6.24462 6.39673 numMergedOcc 0
80 mol 222 unq 23 iso 0 dist 7.862 12.1951 8.88664 6.02502 4.9876 9.60662 10.2446 3.98816 6.24462 7.80676 numMergedOcc 0
81 mol 222 unq 24 iso 0 dist 7.862 11.6161 7.16819 8.84507 7.97027 6.23984 11.04 9.06039 13.2474 9.79673 numMergedOcc 0
82 mol 222 unq 25 iso 0 dist 7.862 11.6161 7.16819 8.84507 7.97027 6.23984 10.2446 3.98816 6.02034 6.39673 numMergedOcc 0
83 mol 222 unq 26 iso 0 dist 7.862 11.6161 7.16819 6.02502 4.9876 7.13962 10.2446 3.98816 6.02034 7.80676 numMergedOcc 0
84 mol 225 unq 0 iso 0 dist 8.87609 5.76292 9.23935 17.3148 9.87668 18.9885 22.7648 13.9338 22.4301 8.74463 numMergedOcc 0
85 mol 225 unq 1 iso 0 dist 8.87609 8.21235 7.77552 17.3148 9.87668 17.5145 22.7648 13.9338 19.67 8.74463 numMergedOcc 0
86 mol 264 unq 0 iso 0 dist 6.04162 6.26382 7.21655 11.4167 7.14086 13.0036 14.1991 9.4435 11.5459 8.55386 numMergedOcc 0
87 mol 264 unq 1 iso 0 dist 6.14323 5.24812 7.21655 13.2035 7.14086 13.0036 13.9142 9.4435 11.5459 8.55386 numMergedOcc 0
88 mol 279 unq 0 iso 0 dist 8.29305 9.37316 9.30921 6.5644 5.8304 11.0079 10.6394 7.93548 15.5412 4.98693 numMergedOcc 0
89 mol 279 unq 1 iso 0 dist 6.43341 5.58929 9.30921 9.40912 5.8304 11.0079 13.2372 7.93548 15.5412 4.98693 numMergedOcc 0
