0 mol 5 unq 0 iso 0 dist 7.77059 3.99762 6.86923 13.345 7.50453 11.3755 11.7909 5.69239 10.7591 3.33561 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 7.77059 8.40431 9.95226 13.345 7.50453 10.3572 11.7909 5.69239 10.9809 3.33561 numMergedOcc 0
2 mol 5 unq 2 iso 0 dist 7.77059 8.19993 4.60775 13.345 7.50453 5.90479 11.7909 5.69239 3.91535 3.33561 numMergedOcc 0
3 mol 5 unq 3 iso 0 dist 7.77059 12.2871 8.64744 13.345 7.50453 4.59167 11.7909 5.69239 6.94674 3.33561 numMergedOcc 0
4 mol 5 unq 4 iso 0 dist 7.4332 10.3223 9.22067 8.94762 8.34817 9.65891 8.41594 9.70883 6.62108 13.2371 numMergedOcc 0
5 mol 5 unq 5 iso 0 dist 7.4332 10.3223 9.22067 8.94762 8.34817 9.65891 11.6739 9.65565 12.0343 3.24598 numMergedOcc 0
6 mol 5 unq 6 iso 0 dist 7.4332 7.05332 8.49537 8.94762 8.34817 7.69461 8.41594 9.70883 14.7887 13.2371 numMergedOcc 0
7 mol 5 unq 7 iso 0 dist 7.4332 7.05332 8.49537 8.94762 8.34817 7.69461 11.6739 9.65565 8.65468 3.24598 numMergedOcc 0
8 mol 11 unq 0 iso 0 dist 9.74528 9.67038 5.47299 11.3059 9.89425 12.9682 15.0022 6.83186 7.27588 12.0683 numMergedOcc 0
9 mol 24 unq 0 iso 0 dist 5.65754 6.08168 7.61183 5.61248 7.7447 5.37421 10.0962 8.25818 14.3151 11.1587 numMergedOcc 0
10 mol 85 unq 0 iso 0 dist 8.66427 15.4494 8.60062 12.4236 5.37869 7.74857 11.9441 9.09711 7.55572 11.8779 numMergedOcc 0
11 mol 85 unq 1 iso 0 dist 8.66427 15.4494 8.60062 12.4236 5.37869 7.74857 6.77316 7.91193 10.9585 11.7094 numMergedOcc 0
12 mol 85 unq 2 iso 0 dist 8.66427 15.4494 8.60062 12.4236 5.37869 7.74857 13.8217 7.04244 4.8069 3.65186 numMergedOcc 0
13 mol 85 unq 3 iso 0 dist 8.66427 15.4494 8.60062 12.4236 5.37869 7.74857 5.26904 7.07839 11.1042 10.0372 numMergedOcc 0
14 mol 85 unq 4 iso 0 dist 8.66427 15.4494 8.60062 12.4236 5.37869 7.74857 9.54731 9.63449 18.1303 12.2971 numMergedOcc 0
15 mol 85 unq 5 iso 0 dist 8.66427 15.4494 8.60062 9.61831 4.05415 10.4876 11.9441 9.09711 7.55572 12.4835 numMergedOcc 0
16 mol 85 unq 6 iso 0 dist 8.66427 15.4494 8.60062 9.61831 4.05415 10.4876 6.77316 7.91193 10.9585 10.7591 numMergedOcc 0
17 mol 85 unq 7 iso 0 dist 8.66427 15.4494 8.60062 9.61831 4.05415 10.4876 13.8217 7.04244 4.8069 7.00044 numMergedOcc 0
18 mol 85 unq 8 iso 0 dist 8.66427 15.4494 8.60062 9.61831 4.05415 10.4876 5.26904 7.07839 11.1042 8.78995 numMergedOcc 0
19 mol 85 unq 9 iso 0 dist 8.66427 15.4494 8.60062 9.61831 4.05415 10.4876 9.54731 9.63449 18.1303 8.64367 numMergedOcc 0
20 mol 85 unq 10 iso 0 dist 8.66427 15.4494 8.60062 11.3963 9.97944 18.2213 11.9441 9.09711 7.55572 17.9023 numMergedOcc 0
21 mol 85 unq 11 iso 0 dist 8.66427 15.4494 8.60062 11.3963 9.97944 18.2213 6.77316 7.91193 10.9585 15.1209 numMergedOcc 0
22 mol 85 unq 12 iso 0 dist 8.66427 15.4494 8.60062 11.3963 9.97944 18.2213 13.8217 7.04244 4.8069 16.1804 numMergedOcc 0
23 mol 85 unq 13 iso 0 dist 8.66427 15.4494 8.60062 11.3963 9.97944 18.2213 5.26904 7.07839 11.1042 14.2664 numMergedOcc 0
24 mol 85 unq 14 iso 0 dist 8.66427 15.4494 8.60062 11.3963 9.97944 18.2213 9.54731 9.63449 18.1303 3.21259 numMergedOcc 0
25 mol 85 unq 15 iso 0 dist 8.66427 11.5575 5.16225 12.4236 5.37869 9.36582 11.9441 9.09711 8.41797 11.8779 numMergedOcc 0
26 mol 85 unq 16 iso 0 dist 8.66427 11.5575 5.16225 12.4236 5.37869 9.36582 6.77316 7.91193 9.0874 11.7094 numMergedOcc 0
27 mol 85 unq 17 iso 0 dist 8.66427 11.5575 5.16225 12.4236 5.37869 9.36582 13.8217 7.04244 10.0178 3.65186 numMergedOcc 0
28 mol 85 unq 18 iso 0 dist 8.66427 11.5575 5.16225 12.4236 5.37869 9.36582 5.26904 7.07839 10.0529 10.0372 numMergedOcc 0
29 mol 85 unq 19 iso 0 dist 8.66427 11.5575 5.16225 12.4236 5.37869 9.36582 9.54731 9.63449 12.1664 12.2971 numMergedOcc 0
30 mol 85 unq 20 iso 0 dist 8.66427 11.5575 5.16225 9.61831 4.05415 8.8983 11.9441 9.09711 8.41797 12.4835 numMergedOcc 0
31 mol 85 unq 21 iso 0 dist 8.66427 11.5575 5.16225 9.61831 4.05415 8.8983 6.77316 7.91193 9.0874 10.7591 numMergedOcc 0
32 mol 85 unq 22 iso 0 dist 8.66427 11.5575 5.16225 9.61831 4.05415 8.8983 13.8217 7.04244 10.0178 7.00044 numMergedOcc 0
33 mol 85 unq 23 iso 0 dist 8.66427 11.5575 5.16225 9.61831 4.05415 8.8983 5.26904 7.07839 10.0529 8.78995 numMergedOcc 0
34 mol 85 unq 24 iso 0 dist 8.66427 11.5575 5.16225 9.61831 4.05415 8.8983 9.54731 9.63449 12.1664 8.64367 numMergedOcc 0
35 mol 85 unq 25 iso 0 dist 8.66427 11.5575 5.16225 11.3963 9.97944 11.1809 11.9441 9.09711 8.41797 17.9023 numMergedOcc 0
36 mol 85 unq 26 iso 0 dist 8.66427 11.5575 5.16225 11.3963 9.97944 11.1809 6.77316 7.91193 9.0874 15.1209 numMergedOcc 0
37 mol 85 unq 27 iso 0 dist 8.66427 11.5575 5.16225 11.3963 9.97944 11.1809 13.8217 7.04244 10.0178 16.1804 numMergedOcc 0
38 mol 85 unq 28 iso 0 dist 8.66427 11.5575 5.16225 11.3963 9.97944 11.1809 5.26904 7.07839 10.0529 14.2664 numMergedOcc 0
39 mol 85 unq 29 iso 0 dist 8.66427 11.5575 5.16225 11.3963 9.97944 11.1809 9.54731 9.63449 12.1664 3.21259 numMergedOcc 0
40 mol 85 unq 30 iso 0 dist 7.51319 4.74629 8.67342 8.08787 4.29937 7.74857 6.90443 6.67137 4.8069 3.65186 numMergedOcc 0
41 mol 85 unq 31 iso 0 dist 7.51319 4.74629 8.67342 8.08787 4.29937 7.74857 17.0873 9.78707 18.1303 12.2971 numMergedOcc 0
42 mol 85 unq 32 iso 0 dist 7.51319 4.74629 8.67342 10.4844 3.65628 10.4876 6.90443 6.67137 4.8069 7.00044 numMergedOcc 0
43 mol 85 unq 33 iso 0 dist 7.51319 4.74629 8.67342 10.4844 3.65628 10.4876 17.0873 9.78707 18.1303 8.64367 numMergedOcc 0
44 mol 85 unq 34 iso 0 dist 7.51319 4.74629 8.67342 16.4231 9.77774 18.2213 6.90443 6.67137 4.8069 16.1804 numMergedOcc 0
45 mol 85 unq 35 iso 0 dist 7.51319 4.74629 8.67342 16.4231 9.77774 18.2213 17.0873 9.78707 18.1303 3.21259 numMergedOcc 0
46 mol 85 unq 36 iso 0 dist 7.51319 7.39588 5.73739 8.08787 4.29937 9.36582 6.90443 6.67137 10.0178 3.65186 numMergedOcc 0
47 mol 85 unq 37 iso 0 dist 7.51319 7.39588 5.73739 8.08787 4.29937 9.36582 17.0873 9.78707 12.1664 12.2971 numMergedOcc 0
48 mol 85 unq 38 iso 0 dist 7.51319 7.39588 5.73739 10.4844 3.65628 8.8983 6.90443 6.67137 10.0178 7.00044 numMergedOcc 0
49 mol 85 unq 39 iso 0 dist 7.51319 7.39588 5.73739 10.4844 3.65628 8.8983 17.0873 9.78707 12.1664 8.64367 numMergedOcc 0
50 mol 85 unq 40 iso 0 dist 7.51319 7.39588 5.73739 16.4231 9.77774 11.1809 6.90443 6.67137 10.0178 16.1804 numMergedOcc 0
51 mol 85 unq 41 iso 0 dist 7.51319 7.39588 5.73739 16.4231 9.77774 11.1809 17.0873 9.78707 12.1664 3.21259 numMergedOcc 0
52 mol 85 unq 42 iso 0 dist 8.49887 4.74629 8.60062 8.08787 5.37869 7.74857 13.1772 7.91193 10.9585 11.7094 numMergedOcc 0
53 mol 85 unq 43 iso 0 dist 8.49887 4.74629 8.60062 8.08787 5.37869 7.74857 10.1386 9.09711 7.55572 11.8779 numMergedOcc 0
54 mol 85 unq 44 iso 0 dist 8.49887 4.74629 8.60062 8.08787 5.37869 7.74857 6.90443 7.04244 4.8069 3.65186 numMergedOcc 0
55 mol 85 unq 45 iso 0 dist 8.49887 4.74629 8.60062 8.08787 5.37869 7.74857 13.5026 7.07839 11.1042 10.0372 numMergedOcc 0
56 mol 85 unq 46 iso 0 dist 8.49887 4.74629 8.60062 8.08787 5.37869 7.74857 17.0873 9.63449 18.1303 12.2971 numMergedOcc 0
57 mol 85 unq 47 iso 0 dist 8.49887 4.74629 8.60062 10.4844 4.05415 10.4876 13.1772 7.91193 10.9585 10.7591 numMergedOcc 0
58 mol 85 unq 48 iso 0 dist 8.49887 4.74629 8.60062 10.4844 4.05415 10.4876 10.1386 9.09711 7.55572 12.4835 numMergedOcc 0
59 mol 85 unq 49 iso 0 dist 8.49887 4.74629 8.60062 10.4844 4.05415 10.4876 6.90443 7.04244 4.8069 7.00044 numMergedOcc 0
60 mol 85 unq 50 iso 0 dist 8.49887 4.74629 8.60062 10.4844 4.05415 10.4876 13.5026 7.07839 11.1042 8.78995 numMergedOcc 0
61 mol 85 unq 51 iso 0 dist 8.49887 4.74629 8.60062 10.4844 4.05415 10.4876 17.0873 9.63449 18.1303 8.64367 numMergedOcc 0
62 mol 85 unq 52 iso 0 dist 8.49887 4.74629 8.60062 16.4231 9.97944 18.2213 13.1772 7.91193 10.9585 15.1209 numMergedOcc 0
63 mol 85 unq 53 iso 0 dist 8.49887 4.74629 8.60062 16.4231 9.97944 18.2213 10.1386 9.09711 7.55572 17.9023 numMergedOcc 0
64 mol 85 unq 54 iso 0 dist 8.49887 4.74629 8.60062 16.4231 9.97944 18.2213 6.90443 7.04244 4.8069 16.1804 numMergedOcc 0
65 mol 85 unq 55 iso 0 dist 8.49887 4.74629 8.60062 16.4231 9.97944 18.2213 13.5026 7.07839 11.1042 14.2664 numMergedOcc 0
66 mol 85 unq 56 iso 0 dist 8.49887 4.74629 8.60062 16.4231 9.97944 18.2213 17.0873 9.63449 18.1303 3.21259 numMergedOcc 0
67 mol 85 unq 57 iso 0 dist 8.49887 7.39588 5.16225 8.08787 5.37869 9.36582 13.1772 7.91193 9.0874 11.7094 numMergedOcc 0
68 mol 85 unq 58 iso 0 dist 8.49887 7.39588 5.16225 8.08787 5.37869 9.36582 10.1386 9.09711 8.41797 11.8779 numMergedOcc 0
69 mol 85 unq 59 iso 0 dist 8.49887 7.39588 5.16225 8.08787 5.37869 9.36582 6.90443 7.04244 10.0178 3.65186 numMergedOcc 0
70 mol 85 unq 60 iso 0 dist 8.49887 7.39588 5.16225 8.08787 5.37869 9.36582 13.5026 7.07839 10.0529 10.0372 numMergedOcc 0
71 mol 85 unq 61 iso 0 dist 8.49887 7.39588 5.16225 8.08787 5.37869 9.36582 17.0873 9.63449 12.1664 12.2971 numMergedOcc 0
72 mol 85 unq 62 iso 0 dist 8.49887 7.39588 5.16225 10.4844 4.05415 8.8983 13.1772 7.91193 9.0874 10.7591 numMergedOcc 0
73 mol 85 unq 63 iso 0 dist 8.49887 7.39588 5.16225 10.4844 4.05415 8.8983 10.1386 9.09711 8.41797 12.4835 numMergedOcc 0
74 mol 85 unq 64 iso 0 dist 8.49887 7.39588 5.16225 10.4844 4.05415 8.8983 6.90443 7.04244 10.0178 7.00044 numMergedOcc 0
75 mol 85 unq 65 iso 0 dist 8.49887 7.39588 5.16225 10.4844 4.05415 8.8983 13.5026 7.07839 10.0529 8.78995 numMergedOcc 0
76 mol 85 unq 66 iso 0 dist 8.49887 7.39588 5.16225 10.4844 4.05415 8.8983 17.0873 9.63449 12.1664 8.64367 numMergedOcc 0
77 mol 85 unq 67 iso 0 dist 8.49887 7.39588 5.16225 16.4231 9.97944 11.1809 13.1772 7.91193 9.0874 15.1209 numMergedOcc 0
78 mol 85 unq 68 iso 0 dist 8.49887 7.39588 5.16225 16.4231 9.97944 11.1809 10.1386 9.09711 8.41797 17.9023 numMergedOcc 0
79 mol 85 unq 69 iso 0 dist 8.49887 7.39588 5.16225 16.4231 9.97944 11.1809 6.90443 7.04244 10.0178 16.1804 numMergedOcc 0
80 mol 85 unq 70 iso 0 dist 8.49887 7.39588 5.16225 16.4231 9.97944 11.1809 13.5026 7.07839 10.0529 14.2664 numMergedOcc 0
81 mol 85 unq 71 iso 0 dist 8.49887 7.39588 5.16225 16.4231 9.97944 11.1809 17.0873 9.63449 12.1664 3.21259 numMergedOcc 0
82 mol 85 unq 72 iso 0 dist 9.43839 17.9238 8.67342 11.053 4.29937 7.74857 14.6513 6.67137 4.8069 3.65186 numMergedOcc 0
83 mol 85 unq 73 iso 0 dist 9.43839 17.9238 8.67342 11.053 4.29937 7.74857 4.43737 9.78707 18.1303 12.2971 numMergedOcc 0
84 mol 85 unq 74 iso 0 dist 9.43839 17.9238 8.67342 7.97629 3.65628 10.4876 14.6513 6.67137 4.8069 7.00044 numMergedOcc 0
85 mol 85 unq 75 iso 0 dist 9.43839 17.9238 8.67342 7.97629 3.65628 10.4876 4.43737 9.78707 18.1303 8.64367 numMergedOcc 0
86 mol 85 unq 76 iso 0 dist 9.43839 17.9238 8.67342 5.46713 9.77774 18.2213 14.6513 6.67137 4.8069 16.1804 numMergedOcc 0
87 mol 85 unq 77 iso 0 dist 9.43839 17.9238 8.67342 5.46713 9.77774 18.2213 4.43737 9.78707 18.1303 3.21259 numMergedOcc 0
88 mol 85 unq 78 iso 0 dist 9.43839 13.3413 5.73739 11.053 4.29937 9.36582 14.6513 6.67137 10.0178 3.65186 numMergedOcc 0
89 mol 85 unq 79 iso 0 dist 9.43839 13.3413 5.73739 11.053 4.29937 9.36582 4.43737 9.78707 12.1664 12.2971 numMergedOcc 0
90 mol 85 unq 80 iso 0 dist 9.43839 13.3413 5.73739 7.97629 3.65628 8.8983 14.6513 6.67137 10.0178 7.00044 numMergedOcc 0
91 mol 85 unq 81 iso 0 dist 9.43839 13.3413 5.73739 7.97629 3.65628 8.8983 4.43737 9.78707 12.1664 8.64367 numMergedOcc 0
92 mol 85 unq 82 iso 0 dist 9.43839 13.3413 5.73739 5.46713 9.77774 11.1809 14.6513 6.67137 10.0178 16.1804 numMergedOcc 0
93 mol 85 unq 83 iso 0 dist 9.43839 13.3413 5.73739 5.46713 9.77774 11.1809 4.43737 9.78707 12.1664 3.21259 numMergedOcc 0
94 mol 254 unq 0 iso 0 dist 9.84028 14.4681 9.83135 8.2786 5.6417 7.03003 11.4342 7.85841 9.22906 8.8967 numMergedOcc 0
95 mol 254 unq 1 iso 0 dist 9.84028 14.4681 9.83135 8.2786 5.6417 7.03003 11.2466 9.20109 12.319 10.929 numMergedOcc 0
96 mol 254 unq 2 iso 0 dist 9.84028 14.4681 9.83135 5.20737 7.42831 9.54026 11.4342 7.85841 9.22906 9.42679 numMergedOcc 0
97 mol 254 unq 3 iso 0 dist 9.84028 14.4681 9.83135 5.20737 7.42831 9.54026 11.2466 9.20109 12.319 10.706 numMergedOcc 0
98 mol 260 unq 0 iso 0 dist 6.90472 11.0725 4.76164 4.35925 9.73217 14.0954 11.9315 8.62655 9.45061 15.6308 numMergedOcc 0
99 mol 260 unq 1 iso 0 dist 6.90472 11.0725 4.76164 13.8859 7.49606 4.58993 11.9315 8.62655 9.45061 7.35802 numMergedOcc 0
100 mol 260 unq 2 iso 0 dist 6.90472 11.0725 4.76164 13.5662 8.06377 3.69763 11.9315 8.62655 9.45061 10.4054 numMergedOcc 0
101 mol 266 unq 0 iso 0 dist 6.48382 10.1474 7.74133 7.90149 8.20376 15.5262 5.79323 6.96692 13.3554 3.68488 numMergedOcc 0
102 mol 266 unq 1 iso 0 dist 6.48382 10.1474 7.74133 7.90149 8.20376 15.5262 7.52317 8.25286 15.2892 3.14784 numMergedOcc 0
103 mol 266 unq 2 iso 0 dist 6.48382 10.1474 7.74133 7.90149 8.20376 15.5262 9.52953 9.9965 16.6916 5.95721 numMergedOcc 0
104 mol 287 unq 0 iso 0 dist 8.17436 4.06566 5.55176 7.94344 4.93516 5.06236 9.08224 4.68668 5.13698 3.66473 numMergedOcc 0
105 mol 288 unq 0 iso 0 dist 8.17436 4.06566 5.55176 7.94344 4.93516 5.06236 9.08224 4.68668 5.13698 3.66473 numMergedOcc 0
106 mol 289 unq 0 iso 0 dist 8.17436 4.06566 5.55176 7.94344 4.93516 5.06236 9.08224 4.68668 5.13698 3.66473 numMergedOcc 0
