0 mol 9 unq 0 iso 0 dist 9.47321 5.91584 8.57077 7.28164 8.55451 8.69454 6.24734 5.8245 5.84314 3.58336 numMergedOcc 0
1 mol 9 unq 0 iso 1 dist 9.47321 5.91584 8.57077 6.24734 5.8245 5.84314 7.28164 8.55451 8.69454 3.58336 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 8.17898 5.72175 5.05803 5.37568 6.42835 5.01101 9.62324 6.57331 4.65873 6.09368 numMergedOcc 0
3 mol 16 unq 0 iso 1 dist 8.17898 5.72175 5.05803 9.62324 6.57331 4.65873 5.37568 6.42835 5.01101 6.09368 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 6.35095 5.76725 5.54419 5.06352 6.6219 4.82629 7.63533 5.68215 10.1698 10.512 numMergedOcc 0
5 mol 24 unq 0 iso 1 dist 6.35095 5.76725 5.54419 7.63533 5.68215 10.1698 5.06352 6.6219 4.82629 10.512 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 5.87895 5.75653 7.36323 6.87351 8.87744 6.28159 7.79018 7.27472 5.50396 3.73215 numMergedOcc 0
7 mol 24 unq 1 iso 1 dist 5.87895 5.75653 7.36323 7.79018 7.27472 5.50396 6.87351 8.87744 6.28159 3.73215 numMergedOcc 0
8 mol 25 unq 0 iso 0 dist 8.23292 12.4427 5.04899 11.7739 7.52933 5.03027 13.0315 6.55597 4.69295 6.53015 numMergedOcc 0
9 mol 25 unq 0 iso 1 dist 8.23292 12.4427 5.04899 13.0315 6.55597 4.69295 11.7739 7.52933 5.03027 6.53015 numMergedOcc 0
10 mol 25 unq 1 iso 0 dist 8.23292 12.4427 5.04899 11.7739 7.52933 5.03027 9.6847 9.71956 12.2542 11.8984 numMergedOcc 0
11 mol 25 unq 1 iso 1 dist 8.23292 12.4427 5.04899 9.6847 9.71956 12.2542 11.7739 7.52933 5.03027 11.8984 numMergedOcc 0
12 mol 25 unq 2 iso 0 dist 8.23292 12.4427 5.04899 11.7739 7.52933 5.03027 9.50063 7.07751 8.79309 8.64476 numMergedOcc 0
13 mol 25 unq 2 iso 1 dist 8.23292 12.4427 5.04899 9.50063 7.07751 8.79309 11.7739 7.52933 5.03027 8.64476 numMergedOcc 0
14 mol 25 unq 3 iso 0 dist 8.23292 12.4427 5.04899 11.7739 7.52933 5.03027 9.6251 8.23761 8.17061 4.64241 numMergedOcc 0
15 mol 25 unq 3 iso 1 dist 8.23292 12.4427 5.04899 9.6251 8.23761 8.17061 11.7739 7.52933 5.03027 4.64241 numMergedOcc 0
16 mol 25 unq 4 iso 0 dist 8.23292 12.4427 5.04899 11.7739 7.52933 5.03027 10.985 9.49421 13.6145 16.0628 numMergedOcc 0
17 mol 25 unq 4 iso 1 dist 8.23292 12.4427 5.04899 10.985 9.49421 13.6145 11.7739 7.52933 5.03027 16.0628 numMergedOcc 0
18 mol 25 unq 1 iso 0 dist 8.23292 12.4427 5.04899 13.0315 6.55597 4.69295 9.6847 9.71956 12.2542 9.19736 numMergedOcc 0
19 mol 25 unq 1 iso 1 dist 8.23292 12.4427 5.04899 9.6847 9.71956 12.2542 13.0315 6.55597 4.69295 9.19736 numMergedOcc 0
20 mol 25 unq 2 iso 0 dist 8.23292 12.4427 5.04899 13.0315 6.55597 4.69295 9.50063 7.07751 8.79309 5.78812 numMergedOcc 0
21 mol 25 unq 2 iso 1 dist 8.23292 12.4427 5.04899 9.50063 7.07751 8.79309 13.0315 6.55597 4.69295 5.78812 numMergedOcc 0
22 mol 25 unq 3 iso 0 dist 8.23292 12.4427 5.04899 13.0315 6.55597 4.69295 9.6251 8.23761 8.17061 7.36721 numMergedOcc 0
23 mol 25 unq 3 iso 1 dist 8.23292 12.4427 5.04899 9.6251 8.23761 8.17061 13.0315 6.55597 4.69295 7.36721 numMergedOcc 0
24 mol 25 unq 4 iso 0 dist 8.23292 12.4427 5.04899 13.0315 6.55597 4.69295 10.985 9.49421 13.6145 12.1732 numMergedOcc 0
25 mol 25 unq 4 iso 1 dist 8.23292 12.4427 5.04899 10.985 9.49421 13.6145 13.0315 6.55597 4.69295 12.1732 numMergedOcc 0
26 mol 25 unq 2 iso 0 dist 8.23292 12.4427 5.04899 9.6847 9.71956 12.2542 9.50063 7.07751 8.79309 3.56099 numMergedOcc 0
27 mol 25 unq 2 iso 1 dist 8.23292 12.4427 5.04899 9.50063 7.07751 8.79309 9.6847 9.71956 12.2542 3.56099 numMergedOcc 0
28 mol 25 unq 3 iso 0 dist 8.23292 12.4427 5.04899 9.6847 9.71956 12.2542 9.6251 8.23761 8.17061 8.42944 numMergedOcc 0
29 mol 25 unq 3 iso 1 dist 8.23292 12.4427 5.04899 9.6251 8.23761 8.17061 9.6847 9.71956 12.2542 8.42944 numMergedOcc 0
30 mol 25 unq 4 iso 0 dist 8.23292 12.4427 5.04899 9.6847 9.71956 12.2542 10.985 9.49421 13.6145 8.99147 numMergedOcc 0
31 mol 25 unq 4 iso 1 dist 8.23292 12.4427 5.04899 10.985 9.49421 13.6145 9.6847 9.71956 12.2542 8.99147 numMergedOcc 0
32 mol 25 unq 3 iso 0 dist 8.23292 12.4427 5.04899 9.50063 7.07751 8.79309 9.6251 8.23761 8.17061 5.99526 numMergedOcc 0
33 mol 25 unq 3 iso 1 dist 8.23292 12.4427 5.04899 9.6251 8.23761 8.17061 9.50063 7.07751 8.79309 5.99526 numMergedOcc 0
34 mol 25 unq 4 iso 0 dist 8.23292 12.4427 5.04899 9.50063 7.07751 8.79309 10.985 9.49421 13.6145 9.54872 numMergedOcc 0
35 mol 25 unq 4 iso 1 dist 8.23292 12.4427 5.04899 10.985 9.49421 13.6145 9.50063 7.07751 8.79309 9.54872 numMergedOcc 0
36 mol 25 unq 4 iso 0 dist 8.23292 12.4427 5.04899 9.6251 8.23761 8.17061 10.985 9.49421 13.6145 14.6175 numMergedOcc 0
37 mol 25 unq 4 iso 1 dist 8.23292 12.4427 5.04899 10.985 9.49421 13.6145 9.6251 8.23761 8.17061 14.6175 numMergedOcc 0
38 mol 73 unq 0 iso 0 dist 6.30194 10.5627 6.19304 10.7557 8.68662 6.20232 11.1632 7.4369 5.70116 3.30399 numMergedOcc 0
39 mol 73 unq 0 iso 1 dist 6.30194 10.5627 6.19304 11.1632 7.4369 5.70116 10.7557 8.68662 6.20232 3.30399 numMergedOcc 0
40 mol 95 unq 0 iso 0 dist 9.40559 13.018 7.27724 12.698 9.3948 3.94537 12.5563 9.74607 6.12605 8.00584 numMergedOcc 0
41 mol 95 unq 0 iso 1 dist 9.40559 13.018 7.27724 12.5563 9.74607 6.12605 12.698 9.3948 3.94537 8.00584 numMergedOcc 0
42 mol 95 unq 1 iso 0 dist 9.40559 11.8978 8.03644 12.698 9.3948 11.3215 12.5563 9.74607 5.06946 8.00584 numMergedOcc 0
43 mol 95 unq 1 iso 1 dist 9.40559 11.8978 8.03644 12.5563 9.74607 5.06946 12.698 9.3948 11.3215 8.00584 numMergedOcc 0
44 mol 95 unq 2 iso 0 dist 8.26838 4.33346 9.03572 8.32734 8.27883 4.99174 4.79063 5.75428 4.46005 6.27231 numMergedOcc 0
45 mol 95 unq 2 iso 1 dist 8.26838 4.33346 9.03572 4.79063 5.75428 4.46005 8.32734 8.27883 4.99174 6.27231 numMergedOcc 0
46 mol 95 unq 3 iso 0 dist 8.26838 4.33346 9.03572 8.32734 8.27883 4.99174 4.05985 8.57395 8.28518 11.734 numMergedOcc 0
47 mol 95 unq 3 iso 1 dist 8.26838 4.33346 9.03572 4.05985 8.57395 8.28518 8.32734 8.27883 4.99174 11.734 numMergedOcc 0
48 mol 95 unq 4 iso 0 dist 8.26838 4.33346 9.03572 8.32734 8.27883 4.99174 12.6917 9.85409 15.917 17.4304 numMergedOcc 0
49 mol 95 unq 4 iso 1 dist 8.26838 4.33346 9.03572 12.6917 9.85409 15.917 8.32734 8.27883 4.99174 17.4304 numMergedOcc 0
50 mol 95 unq 3 iso 0 dist 8.26838 4.33346 9.03572 4.79063 5.75428 4.46005 4.05985 8.57395 8.28518 6.95874 numMergedOcc 0
51 mol 95 unq 3 iso 1 dist 8.26838 4.33346 9.03572 4.05985 8.57395 8.28518 4.79063 5.75428 4.46005 6.95874 numMergedOcc 0
52 mol 95 unq 4 iso 0 dist 8.26838 4.33346 9.03572 4.79063 5.75428 4.46005 12.6917 9.85409 15.917 12.3063 numMergedOcc 0
53 mol 95 unq 4 iso 1 dist 8.26838 4.33346 9.03572 12.6917 9.85409 15.917 4.79063 5.75428 4.46005 12.3063 numMergedOcc 0
54 mol 95 unq 4 iso 0 dist 8.26838 4.33346 9.03572 4.05985 8.57395 8.28518 12.6917 9.85409 15.917 9.43547 numMergedOcc 0
55 mol 95 unq 4 iso 1 dist 8.26838 4.33346 9.03572 12.6917 9.85409 15.917 4.05985 8.57395 8.28518 9.43547 numMergedOcc 0
56 mol 95 unq 5 iso 0 dist 8.26838 7.47119 8.83255 8.32734 8.27883 8.67311 4.79063 5.75428 3.94293 6.27231 numMergedOcc 0
57 mol 95 unq 5 iso 1 dist 8.26838 7.47119 8.83255 4.79063 5.75428 3.94293 8.32734 8.27883 8.67311 6.27231 numMergedOcc 0
58 mol 95 unq 6 iso 0 dist 8.26838 7.47119 8.83255 8.32734 8.27883 8.67311 4.05985 8.57395 9.22202 11.734 numMergedOcc 0
59 mol 95 unq 6 iso 1 dist 8.26838 7.47119 8.83255 4.05985 8.57395 9.22202 8.32734 8.27883 8.67311 11.734 numMergedOcc 0
60 mol 95 unq 7 iso 0 dist 8.26838 7.47119 8.83255 8.32734 8.27883 8.67311 12.6917 9.85409 13.7484 17.4304 numMergedOcc 0
61 mol 95 unq 7 iso 1 dist 8.26838 7.47119 8.83255 12.6917 9.85409 13.7484 8.32734 8.27883 8.67311 17.4304 numMergedOcc 0
62 mol 95 unq 6 iso 0 dist 8.26838 7.47119 8.83255 4.79063 5.75428 3.94293 4.05985 8.57395 9.22202 6.95874 numMergedOcc 0
63 mol 95 unq 6 iso 1 dist 8.26838 7.47119 8.83255 4.05985 8.57395 9.22202 4.79063 5.75428 3.94293 6.95874 numMergedOcc 0
64 mol 95 unq 7 iso 0 dist 8.26838 7.47119 8.83255 4.79063 5.75428 3.94293 12.6917 9.85409 13.7484 12.3063 numMergedOcc 0
65 mol 95 unq 7 iso 1 dist 8.26838 7.47119 8.83255 12.6917 9.85409 13.7484 4.79063 5.75428 3.94293 12.3063 numMergedOcc 0
66 mol 95 unq 7 iso 0 dist 8.26838 7.47119 8.83255 4.05985 8.57395 9.22202 12.6917 9.85409 13.7484 9.43547 numMergedOcc 0
67 mol 95 unq 7 iso 1 dist 8.26838 7.47119 8.83255 12.6917 9.85409 13.7484 4.05985 8.57395 9.22202 9.43547 numMergedOcc 0
68 mol 95 unq 8 iso 0 dist 8.26838 15.4217 8.03644 8.32734 8.27883 15.6249 4.79063 5.75428 12.4896 6.27231 numMergedOcc 0
69 mol 95 unq 8 iso 1 dist 8.26838 15.4217 8.03644 4.79063 5.75428 12.4896 8.32734 8.27883 15.6249 6.27231 numMergedOcc 0
70 mol 95 unq 9 iso 0 dist 8.26838 15.4217 8.03644 8.32734 8.27883 15.6249 4.05985 8.57395 14.2178 11.734 numMergedOcc 0
71 mol 95 unq 9 iso 1 dist 8.26838 15.4217 8.03644 4.05985 8.57395 14.2178 8.32734 8.27883 15.6249 11.734 numMergedOcc 0
72 mol 95 unq 10 iso 0 dist 8.26838 15.4217 8.03644 8.32734 8.27883 15.6249 12.6917 9.85409 8.78079 17.4304 numMergedOcc 0
73 mol 95 unq 10 iso 1 dist 8.26838 15.4217 8.03644 12.6917 9.85409 8.78079 8.32734 8.27883 15.6249 17.4304 numMergedOcc 0
74 mol 95 unq 9 iso 0 dist 8.26838 15.4217 8.03644 4.79063 5.75428 12.4896 4.05985 8.57395 14.2178 6.95874 numMergedOcc 0
75 mol 95 unq 9 iso 1 dist 8.26838 15.4217 8.03644 4.05985 8.57395 14.2178 4.79063 5.75428 12.4896 6.95874 numMergedOcc 0
76 mol 95 unq 10 iso 0 dist 8.26838 15.4217 8.03644 4.79063 5.75428 12.4896 12.6917 9.85409 8.78079 12.3063 numMergedOcc 0
77 mol 95 unq 10 iso 1 dist 8.26838 15.4217 8.03644 12.6917 9.85409 8.78079 4.79063 5.75428 12.4896 12.3063 numMergedOcc 0
78 mol 95 unq 10 iso 0 dist 8.26838 15.4217 8.03644 4.05985 8.57395 14.2178 12.6917 9.85409 8.78079 9.43547 numMergedOcc 0
79 mol 95 unq 10 iso 1 dist 8.26838 15.4217 8.03644 12.6917 9.85409 8.78079 4.05985 8.57395 14.2178 9.43547 numMergedOcc 0
80 mol 109 unq 0 iso 0 dist 8.46734 6.43998 7.34473 4.57343 6.29161 6.73011 11.3914 7.86666 13.0886 7.49425 numMergedOcc 0
81 mol 109 unq 0 iso 1 dist 8.46734 6.43998 7.34473 11.3914 7.86666 13.0886 4.57343 6.29161 6.73011 7.49425 numMergedOcc 0
82 mol 112 unq 0 iso 0 dist 9.43616 10.746 7.71338 6.13615 8.47988 6.95317 4.49971 8.0427 7.57713 6.38762 numMergedOcc 0
83 mol 112 unq 0 iso 1 dist 9.43616 10.746 7.71338 4.49971 8.0427 7.57713 6.13615 8.47988 6.95317 6.38762 numMergedOcc 0
84 mol 134 unq 0 iso 0 dist 5.67862 9.52819 6.37586 7.77359 9.33924 6.95573 10.8891 7.93372 8.06642 11.4107 numMergedOcc 0
85 mol 134 unq 0 iso 1 dist 5.67862 9.52819 6.37586 10.8891 7.93372 8.06642 7.77359 9.33924 6.95573 11.4107 numMergedOcc 0
86 mol 134 unq 1 iso 0 dist 5.67862 12.4156 9.71307 7.77359 9.33924 10.2026 10.8891 7.93372 4.00092 11.4107 numMergedOcc 0
87 mol 134 unq 1 iso 1 dist 5.67862 12.4156 9.71307 10.8891 7.93372 4.00092 7.77359 9.33924 10.2026 11.4107 numMergedOcc 0
88 mol 143 unq 0 iso 0 dist 7.5984 5.11989 5.99315 14.6282 7.36975 13.1926 7.11802 5.40637 7.39837 10.1474 numMergedOcc 0
89 mol 143 unq 0 iso 1 dist 7.5984 5.11989 5.99315 7.11802 5.40637 7.39837 14.6282 7.36975 13.1926 10.1474 numMergedOcc 0
90 mol 222 unq 0 iso 0 dist 7.27481 5.68063 6.00706 12.9462 6.74196 8.84507 9.50604 8.36842 6.02502 8.10209 numMergedOcc 0
91 mol 222 unq 0 iso 1 dist 7.27481 5.68063 6.00706 9.50604 8.36842 6.02502 12.9462 6.74196 8.84507 8.10209 numMergedOcc 0
92 mol 222 unq 1 iso 0 dist 7.27481 5.68063 6.00706 12.9462 6.74196 8.84507 9.68195 9.75472 5.18677 9.49218 numMergedOcc 0
93 mol 222 unq 1 iso 1 dist 7.27481 5.68063 6.00706 9.68195 9.75472 5.18677 12.9462 6.74196 8.84507 9.49218 numMergedOcc 0
94 mol 222 unq 1 iso 0 dist 7.27481 5.68063 6.00706 9.50604 8.36842 6.02502 9.68195 9.75472 5.18677 3.53707 numMergedOcc 0
95 mol 222 unq 1 iso 1 dist 7.27481 5.68063 6.00706 9.68195 9.75472 5.18677 9.50604 8.36842 6.02502 3.53707 numMergedOcc 0
96 mol 222 unq 2 iso 0 dist 7.27481 5.90074 7.54212 12.9462 6.74196 12.8595 9.50604 8.36842 12.5866 8.10209 numMergedOcc 0
97 mol 222 unq 2 iso 1 dist 7.27481 5.90074 7.54212 9.50604 8.36842 12.5866 12.9462 6.74196 12.8595 8.10209 numMergedOcc 0
98 mol 222 unq 3 iso 0 dist 7.27481 5.90074 7.54212 12.9462 6.74196 12.8595 9.68195 9.75472 11.9567 9.49218 numMergedOcc 0
99 mol 222 unq 3 iso 1 dist 7.27481 5.90074 7.54212 9.68195 9.75472 11.9567 12.9462 6.74196 12.8595 9.49218 numMergedOcc 0
100 mol 222 unq 3 iso 0 dist 7.27481 5.90074 7.54212 9.50604 8.36842 12.5866 9.68195 9.75472 11.9567 3.53707 numMergedOcc 0
101 mol 222 unq 3 iso 1 dist 7.27481 5.90074 7.54212 9.68195 9.75472 11.9567 9.50604 8.36842 12.5866 3.53707 numMergedOcc 0
102 mol 223 unq 0 iso 0 dist 9.94212 11.4946 8.77153 8.1388 6.42257 4.04036 14.288 9.33543 13.1538 12.841 numMergedOcc 0
103 mol 223 unq 0 iso 1 dist 9.94212 11.4946 8.77153 14.288 9.33543 13.1538 8.1388 6.42257 4.04036 12.841 numMergedOcc 0
104 mol 223 unq 1 iso 0 dist 9.94212 13.1422 8.6166 8.1388 6.42257 9.47076 14.288 9.33543 5.39728 12.841 numMergedOcc 0
105 mol 223 unq 1 iso 1 dist 9.94212 13.1422 8.6166 14.288 9.33543 5.39728 8.1388 6.42257 9.47076 12.841 numMergedOcc 0
