0 mol 11 unq 0 iso 0 dist 7.98326 7.90478 8.05578 9.74251 6.859 12.1329 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 7.46578 7.16561 8.05578 6.56765 6.859 12.1329 numMergedOcc 0
2 mol 20 unq 0 iso 0 dist 4.74809 5.86181 6.05053 10.5097 7.14069 12.4598 numMergedOcc 0
3 mol 20 unq 1 iso 0 dist 4.74809 5.86181 6.05053 12.7656 8.58641 13.3189 numMergedOcc 0
4 mol 20 unq 2 iso 0 dist 4.74809 5.86181 6.05053 10.2902 5.99466 9.07213 numMergedOcc 0
5 mol 20 unq 3 iso 0 dist 5.86181 4.74809 6.05053 10.2902 9.07213 5.99466 numMergedOcc 0
6 mol 20 unq 4 iso 0 dist 7.43882 6.3253 6.05053 10.3149 7.14069 12.4598 numMergedOcc 0
7 mol 20 unq 5 iso 0 dist 7.43882 6.3253 6.05053 9.84883 8.58641 13.3189 numMergedOcc 0
8 mol 20 unq 6 iso 0 dist 7.43882 6.3253 6.05053 5.22924 5.99466 9.07213 numMergedOcc 0
9 mol 20 unq 7 iso 0 dist 6.3253 7.43882 6.05053 5.22924 9.07213 5.99466 numMergedOcc 0
10 mol 20 unq 8 iso 0 dist 7.31198 5.80568 6.05053 11.2406 7.14069 12.4598 numMergedOcc 0
11 mol 20 unq 9 iso 0 dist 7.31198 5.80568 6.05053 13.0235 8.58641 13.3189 numMergedOcc 0
12 mol 20 unq 10 iso 0 dist 7.31198 5.80568 6.05053 9.92781 5.99466 9.07213 numMergedOcc 0
13 mol 20 unq 11 iso 0 dist 5.80568 7.31198 6.05053 9.92781 9.07213 5.99466 numMergedOcc 0
14 mol 24 unq 0 iso 0 dist 5.95834 8.00171 10.3279 12.5545 9.73647 17.8878 numMergedOcc 0
15 mol 24 unq 1 iso 0 dist 5.95834 8.00171 10.3279 4.08755 7.26334 11.9029 numMergedOcc 0
16 mol 24 unq 2 iso 0 dist 5.95834 8.00171 10.3279 6.86136 5.78532 12.7215 numMergedOcc 0
17 mol 24 unq 3 iso 0 dist 5.95834 4.2121 4.15946 12.5545 9.73647 10.1229 numMergedOcc 0
18 mol 24 unq 4 iso 0 dist 5.95834 4.2121 4.15946 4.08755 7.26334 6.19899 numMergedOcc 0
19 mol 24 unq 5 iso 0 dist 5.95834 4.2121 4.15946 6.86136 5.78532 8.49709 numMergedOcc 0
20 mol 24 unq 6 iso 0 dist 5.95834 6.72323 9.92026 12.5545 9.73647 11.3231 numMergedOcc 0
21 mol 24 unq 7 iso 0 dist 5.95834 6.72323 9.92026 4.08755 7.26334 6.61696 numMergedOcc 0
22 mol 24 unq 8 iso 0 dist 5.95834 6.72323 9.92026 6.86136 5.78532 12.9064 numMergedOcc 0
23 mol 24 unq 9 iso 0 dist 4.2121 5.95834 4.15946 4.08755 6.19899 7.26334 numMergedOcc 0
24 mol 24 unq 10 iso 0 dist 4.2121 5.95834 4.15946 6.86136 8.49709 5.78532 numMergedOcc 0
25 mol 24 unq 11 iso 0 dist 4.2121 8.00171 7.88693 4.08755 6.19899 11.9029 numMergedOcc 0
26 mol 24 unq 12 iso 0 dist 4.2121 8.00171 7.88693 6.86136 8.49709 12.7215 numMergedOcc 0
27 mol 24 unq 13 iso 0 dist 4.2121 6.72323 6.16544 4.08755 6.19899 6.61696 numMergedOcc 0
28 mol 24 unq 14 iso 0 dist 4.2121 6.72323 6.16544 6.86136 8.49709 12.9064 numMergedOcc 0
29 mol 24 unq 15 iso 0 dist 6.72323 5.95834 9.92026 4.08755 6.61696 7.26334 numMergedOcc 0
30 mol 24 unq 16 iso 0 dist 6.72323 5.95834 9.92026 10.0453 5.80953 14.7426 numMergedOcc 0
31 mol 24 unq 17 iso 0 dist 6.72323 4.2121 6.16544 4.08755 6.61696 6.19899 numMergedOcc 0
32 mol 24 unq 18 iso 0 dist 6.72323 4.2121 6.16544 10.0453 5.80953 10.8068 numMergedOcc 0
33 mol 24 unq 19 iso 0 dist 6.72323 8.00171 10.2653 4.08755 6.61696 11.9029 numMergedOcc 0
34 mol 24 unq 20 iso 0 dist 6.72323 8.00171 10.2653 10.0453 5.80953 10.8435 numMergedOcc 0
35 mol 25 unq 0 iso 0 dist 6.25843 8.88938 12.6805 3.904 5.20109 12.506 numMergedOcc 0
36 mol 79 unq 0 iso 0 dist 9.78384 8.87742 14.8479 9.51372 7.43127 15.1749 numMergedOcc 0
37 mol 79 unq 1 iso 0 dist 9.78384 4.93468 8.25967 9.51372 7.43127 10.8054 numMergedOcc 0
38 mol 79 unq 2 iso 0 dist 8.03296 9.26979 7.21092 3.81317 8.02443 9.09458 numMergedOcc 0
39 mol 79 unq 3 iso 0 dist 5.82754 9.05679 7.21092 4.08868 8.02443 9.09458 numMergedOcc 0
40 mol 79 unq 4 iso 0 dist 8.87742 9.78384 14.8479 6.06691 8.02443 15.7528 numMergedOcc 0
41 mol 79 unq 5 iso 0 dist 8.87742 4.93468 7.21092 6.06691 8.02443 9.09458 numMergedOcc 0
42 mol 79 unq 6 iso 0 dist 8.87742 8.03296 7.7277 12.2375 9.77084 15.8911 numMergedOcc 0
43 mol 79 unq 7 iso 0 dist 8.87742 8.03296 7.7277 13.1414 6.5551 13.1034 numMergedOcc 0
44 mol 79 unq 8 iso 0 dist 8.87742 5.82754 7.2005 12.2375 9.77084 14.2283 numMergedOcc 0
45 mol 79 unq 9 iso 0 dist 8.87742 5.82754 7.2005 13.1414 6.5551 13.3971 numMergedOcc 0
46 mol 79 unq 10 iso 0 dist 9.26979 8.03296 7.21092 3.81317 9.09458 8.02443 numMergedOcc 0
47 mol 79 unq 11 iso 0 dist 9.05679 5.82754 7.21092 4.08868 9.09458 8.02443 numMergedOcc 0
48 mol 79 unq 12 iso 0 dist 4.93468 9.78384 8.25967 6.06691 9.09458 15.7528 numMergedOcc 0
49 mol 79 unq 13 iso 0 dist 4.93468 8.87742 7.21092 6.06691 9.09458 8.02443 numMergedOcc 0
50 mol 79 unq 14 iso 0 dist 4.93468 9.26979 7.7277 6.69352 9.77084 15.8911 numMergedOcc 0
51 mol 79 unq 15 iso 0 dist 4.93468 9.26979 7.7277 6.0749 6.5551 13.1034 numMergedOcc 0
52 mol 79 unq 16 iso 0 dist 4.93468 9.05679 7.2005 6.69352 9.77084 14.2283 numMergedOcc 0
53 mol 79 unq 17 iso 0 dist 4.93468 9.05679 7.2005 6.0749 6.5551 13.3971 numMergedOcc 0
54 mol 92 unq 0 iso 0 dist 9.60622 9.91054 5.74171 11.9597 8.98912 8.93769 numMergedOcc 0
55 mol 92 unq 1 iso 0 dist 9.91054 9.60622 5.74171 11.9597 8.93769 8.98912 numMergedOcc 0
56 mol 93 unq 0 iso 0 dist 8.74378 8.89417 4.37353 11.7638 9.19977 7.28831 numMergedOcc 0
57 mol 93 unq 1 iso 0 dist 8.89417 8.74378 4.37353 11.7638 7.28831 9.19977 numMergedOcc 0
58 mol 98 unq 0 iso 0 dist 7.36769 6.88901 10.2754 3.92737 9.25444 8.46823 numMergedOcc 0
59 mol 98 unq 1 iso 0 dist 7.36769 6.88901 10.2754 3.94967 9.84703 4.62494 numMergedOcc 0
60 mol 98 unq 2 iso 0 dist 6.88901 7.36769 10.2754 3.92737 8.46823 9.25444 numMergedOcc 0
61 mol 98 unq 3 iso 0 dist 6.88901 7.36769 10.2754 3.94967 4.62494 9.84703 numMergedOcc 0
62 mol 100 unq 0 iso 0 dist 9.5057 5.75014 5.59227 12.48 6.59691 11.1692 numMergedOcc 0
63 mol 129 unq 0 iso 0 dist 7.59327 9.73158 5.41583 8.3321 9.35533 12.8649 numMergedOcc 0
64 mol 141 unq 0 iso 0 dist 9.83945 6.75376 6.33946 16.2294 7.42144 12.3695 numMergedOcc 0
65 mol 141 unq 1 iso 0 dist 9.83945 6.75376 6.33946 15.9806 6.27658 11.4776 numMergedOcc 0
66 mol 141 unq 2 iso 0 dist 9.83945 9.10042 12.8394 16.2294 7.42144 17.8444 numMergedOcc 0
67 mol 141 unq 3 iso 0 dist 9.83945 9.10042 12.8394 15.9806 6.27658 17.3445 numMergedOcc 0
68 mol 141 unq 4 iso 0 dist 6.75376 9.83945 6.33946 6.93828 9.27009 9.78006 numMergedOcc 0
69 mol 141 unq 5 iso 0 dist 6.75376 9.10042 6.59975 6.93828 9.27009 13.5747 numMergedOcc 0
70 mol 141 unq 6 iso 0 dist 9.10042 9.83945 12.8394 14.0725 6.65731 16.8263 numMergedOcc 0
71 mol 141 unq 7 iso 0 dist 9.10042 6.75376 6.59975 14.0725 6.65731 11.6264 numMergedOcc 0
72 mol 141 unq 8 iso 0 dist 6.83404 9.10042 13.0212 10.0208 5.92302 17.2659 numMergedOcc 0
73 mol 141 unq 9 iso 0 dist 6.83404 9.75059 11.0187 10.0208 5.92302 15.2695 numMergedOcc 0
74 mol 171 unq 0 iso 0 dist 7.22518 7.58499 3.98338 14.0016 9.34834 13.0134 numMergedOcc 0
75 mol 171 unq 1 iso 0 dist 7.22518 7.58499 3.98338 11.4302 5.74846 9.37868 numMergedOcc 0
76 mol 171 unq 2 iso 0 dist 5.25109 8.21618 3.98338 10.0655 9.34834 13.0134 numMergedOcc 0
77 mol 171 unq 3 iso 0 dist 5.25109 8.21618 3.98338 4.88147 5.74846 9.37868 numMergedOcc 0
78 mol 171 unq 4 iso 0 dist 5.25109 7.22518 7.9115 11.4851 7.47964 13.7795 numMergedOcc 0
79 mol 171 unq 5 iso 0 dist 8.21618 7.58499 7.9115 12.9811 7.47964 13.7795 numMergedOcc 0
80 mol 181 unq 0 iso 0 dist 7.32087 8.86197 9.87773 5.3698 9.06571 9.88897 numMergedOcc 0
81 mol 181 unq 1 iso 0 dist 7.32087 8.86197 9.87773 6.39406 7.35884 11.6588 numMergedOcc 0
82 mol 181 unq 2 iso 0 dist 8.86197 7.32087 9.87773 5.3698 9.88897 9.06571 numMergedOcc 0
83 mol 192 unq 0 iso 0 dist 6.60053 9.36796 4.20321 5.80651 9.40971 9.8428 numMergedOcc 0
84 mol 192 unq 1 iso 0 dist 9.36796 6.60053 4.20321 5.80651 9.8428 9.40971 numMergedOcc 0
85 mol 194 unq 0 iso 0 dist 6.38324 6.1886 9.4131 7.41775 9.00322 11.7017 numMergedOcc 0
86 mol 194 unq 1 iso 0 dist 6.1886 6.38324 9.4131 4.002 4.19371 9.64441 numMergedOcc 0
87 mol 194 unq 2 iso 0 dist 6.1886 6.38324 9.4131 7.09553 9.71015 13.1921 numMergedOcc 0
88 mol 196 unq 0 iso 0 dist 9.62455 7.21349 15.4429 5.40367 8.48879 10.2274 numMergedOcc 0
89 mol 196 unq 1 iso 0 dist 9.62455 7.21349 15.4429 11.2785 5.89591 16.4026 numMergedOcc 0
90 mol 196 unq 2 iso 0 dist 9.62455 7.21349 15.4429 17.7382 9.72376 22.5661 numMergedOcc 0
91 mol 225 unq 0 iso 0 dist 8.37739 9.47237 4.23863 5.8463 9.82043 8.22922 numMergedOcc 0
92 mol 225 unq 1 iso 0 dist 9.47237 8.37739 4.23863 5.8463 8.22922 9.82043 numMergedOcc 0
93 mol 232 unq 0 iso 0 dist 9.8664 9.78181 16.4381 4.68548 6.59036 13.6374 numMergedOcc 0
94 mol 256 unq 0 iso 0 dist 6.33496 4.98734 6.48174 8.60707 6.85663 11.8164 numMergedOcc 0
95 mol 256 unq 1 iso 0 dist 6.00636 6.37963 6.48174 9.39697 6.85663 11.8164 numMergedOcc 0
