0 mol 15 unq 0 iso 0 dist 6.42748 11.7498 7.48342 10.1154 6.03257 4.29582 8.85174 5.20798 9.84471 6.23015 numMergedOcc 0
1 mol 15 unq 0 iso 1 dist 7.48342 11.7498 6.42748 4.29582 6.03257 10.1154 9.84471 5.20798 8.85174 6.23015 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 6.41575 5.80928 6.41423 9.74255 9.95212 7.08342 13.0732 9.79414 12.2354 8.54034 numMergedOcc 0
3 mol 19 unq 0 iso 1 dist 6.41423 5.80928 6.41575 7.08342 9.95212 9.74255 12.2354 9.79414 13.0732 8.54034 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 9.41441 11.4989 6.73939 12.2662 5.95834 6.56748 17.6792 12.5545 6.6219 9.73647 numMergedOcc 0
5 mol 24 unq 0 iso 1 dist 6.73939 11.4989 9.41441 6.56748 5.95834 12.2662 6.6219 12.5545 17.6792 9.73647 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 9.41441 11.4989 6.73939 12.2662 5.95834 6.56748 12.5088 4.08755 5.68215 7.26334 numMergedOcc 0
7 mol 24 unq 1 iso 1 dist 6.73939 11.4989 9.41441 6.56748 5.95834 12.2662 5.68215 4.08755 12.5088 7.26334 numMergedOcc 0
8 mol 24 unq 2 iso 0 dist 9.41441 11.4989 6.73939 12.2662 5.95834 6.56748 15.4457 6.86136 10.4441 5.78532 numMergedOcc 0
9 mol 24 unq 2 iso 1 dist 6.73939 11.4989 9.41441 6.56748 5.95834 12.2662 10.4441 6.86136 15.4457 5.78532 numMergedOcc 0
10 mol 24 unq 3 iso 0 dist 9.41441 11.4989 6.73939 8.67951 4.2121 4.50066 12.5088 4.08755 5.68215 6.19899 numMergedOcc 0
11 mol 24 unq 3 iso 1 dist 6.73939 11.4989 9.41441 4.50066 4.2121 8.67951 5.68215 4.08755 12.5088 6.19899 numMergedOcc 0
12 mol 24 unq 4 iso 0 dist 9.41441 11.4989 6.73939 8.67951 4.2121 4.50066 15.4457 6.86136 10.4441 8.49709 numMergedOcc 0
13 mol 24 unq 4 iso 1 dist 6.73939 11.4989 9.41441 4.50066 4.2121 8.67951 10.4441 6.86136 15.4457 8.49709 numMergedOcc 0
14 mol 24 unq 5 iso 0 dist 9.41441 11.4989 6.73939 8.52463 6.72323 5.11617 12.5088 4.08755 5.68215 6.61696 numMergedOcc 0
15 mol 24 unq 5 iso 1 dist 6.73939 11.4989 9.41441 5.11617 6.72323 8.52463 5.68215 4.08755 12.5088 6.61696 numMergedOcc 0
16 mol 24 unq 6 iso 0 dist 9.41441 11.4989 6.73939 8.52463 6.72323 5.11617 7.95042 10.0453 10.9113 5.80953 numMergedOcc 0
17 mol 24 unq 6 iso 1 dist 6.73939 11.4989 9.41441 5.11617 6.72323 8.52463 10.9113 10.0453 7.95042 5.80953 numMergedOcc 0
18 mol 24 unq 7 iso 0 dist 8.4051 15.5315 7.29868 12.176 6.72323 6.66749 20.8425 14.6305 10.2862 9.85784 numMergedOcc 0
19 mol 24 unq 7 iso 1 dist 7.29868 15.5315 8.4051 6.66749 6.72323 12.176 10.2862 14.6305 20.8425 9.85784 numMergedOcc 0
20 mol 24 unq 8 iso 0 dist 8.4051 15.5315 7.29868 12.176 6.72323 6.66749 19.3627 14.3224 11.825 9.87996 numMergedOcc 0
21 mol 24 unq 8 iso 1 dist 7.29868 15.5315 8.4051 6.66749 6.72323 12.176 11.825 14.3224 19.3627 9.87996 numMergedOcc 0
22 mol 24 unq 9 iso 0 dist 8.4051 14.6259 8.60554 12.176 6.72323 14.012 20.8425 14.6305 18.188 9.85784 numMergedOcc 0
23 mol 24 unq 9 iso 1 dist 8.60554 14.6259 8.4051 14.012 6.72323 12.176 18.188 14.6305 20.8425 9.85784 numMergedOcc 0
24 mol 24 unq 10 iso 0 dist 8.4051 14.6259 8.60554 12.176 6.72323 14.012 19.3627 14.3224 18.4146 9.87996 numMergedOcc 0
25 mol 24 unq 10 iso 1 dist 8.60554 14.6259 8.4051 14.012 6.72323 12.176 18.4146 14.3224 19.3627 9.87996 numMergedOcc 0
26 mol 24 unq 9 iso 0 dist 7.29868 10.0952 8.60554 6.66749 6.72323 14.012 10.2862 14.6305 18.188 9.85784 numMergedOcc 0
27 mol 24 unq 9 iso 1 dist 8.60554 10.0952 7.29868 14.012 6.72323 6.66749 18.188 14.6305 10.2862 9.85784 numMergedOcc 0
28 mol 24 unq 10 iso 0 dist 7.29868 10.0952 8.60554 6.66749 6.72323 14.012 11.825 14.3224 18.4146 9.87996 numMergedOcc 0
29 mol 24 unq 10 iso 1 dist 8.60554 10.0952 7.29868 14.012 6.72323 6.66749 18.4146 14.3224 11.825 9.87996 numMergedOcc 0
30 mol 25 unq 0 iso 0 dist 8.87757 15.5644 8.50222 7.33728 6.25843 9.34396 7.05196 3.904 10.9703 5.20109 numMergedOcc 0
31 mol 25 unq 0 iso 1 dist 8.50222 15.5644 8.87757 9.34396 6.25843 7.33728 10.9703 3.904 7.05196 5.20109 numMergedOcc 0
32 mol 25 unq 1 iso 0 dist 8.87757 16.1048 7.55264 7.33728 6.25843 10.8498 7.05196 3.904 10.3338 5.20109 numMergedOcc 0
33 mol 25 unq 1 iso 1 dist 7.55264 16.1048 8.87757 10.8498 6.25843 7.33728 10.3338 3.904 7.05196 5.20109 numMergedOcc 0
34 mol 25 unq 2 iso 0 dist 6.16347 10.9391 7.45383 6.08585 6.25843 5.77929 11.037 4.98822 6.55597 9.16515 numMergedOcc 0
35 mol 25 unq 2 iso 1 dist 7.45383 10.9391 6.16347 5.77929 6.25843 6.08585 6.55597 4.98822 11.037 9.16515 numMergedOcc 0
36 mol 25 unq 3 iso 0 dist 6.16347 10.9391 7.45383 6.08585 6.25843 5.77929 13.0315 7.91914 7.07751 9.82987 numMergedOcc 0
37 mol 25 unq 3 iso 1 dist 7.45383 10.9391 6.16347 5.77929 6.25843 6.08585 7.07751 7.91914 13.0315 9.82987 numMergedOcc 0
38 mol 25 unq 4 iso 0 dist 6.16347 10.9391 7.45383 6.08585 6.25843 5.77929 11.971 10.9145 11.008 9.40732 numMergedOcc 0
39 mol 25 unq 4 iso 1 dist 7.45383 10.9391 6.16347 5.77929 6.25843 6.08585 11.008 10.9145 11.971 9.40732 numMergedOcc 0
40 mol 25 unq 5 iso 0 dist 6.16347 10.9391 7.45383 6.08585 6.25843 5.77929 9.48085 9.62058 9.49421 6.53269 numMergedOcc 0
41 mol 25 unq 5 iso 1 dist 7.45383 10.9391 6.16347 5.77929 6.25843 6.08585 9.49421 9.62058 9.48085 6.53269 numMergedOcc 0
42 mol 25 unq 1 iso 0 dist 8.50222 4.33106 7.55264 9.34396 6.25843 10.8498 10.9703 3.904 10.3338 5.20109 numMergedOcc 0
43 mol 25 unq 1 iso 1 dist 7.55264 4.33106 8.50222 10.8498 6.25843 9.34396 10.3338 3.904 10.9703 5.20109 numMergedOcc 0
44 mol 98 unq 0 iso 0 dist 6.7117 8.40073 4.47349 7.94178 7.36769 9.85543 9.81956 3.92737 7.54889 9.25444 numMergedOcc 0
45 mol 98 unq 0 iso 1 dist 4.47349 8.40073 6.7117 9.85543 7.36769 7.94178 7.54889 3.92737 9.81956 9.25444 numMergedOcc 0
46 mol 98 unq 1 iso 0 dist 6.7117 8.40073 4.47349 7.94178 7.36769 9.85543 5.10496 3.94967 5.2571 9.84703 numMergedOcc 0
47 mol 98 unq 1 iso 1 dist 4.47349 8.40073 6.7117 9.85543 7.36769 7.94178 5.2571 3.94967 5.10496 9.84703 numMergedOcc 0
48 mol 98 unq 2 iso 0 dist 6.7117 8.40073 4.47349 4.4057 6.88901 9.67482 9.81956 3.92737 7.54889 8.46823 numMergedOcc 0
49 mol 98 unq 2 iso 1 dist 4.47349 8.40073 6.7117 9.67482 6.88901 4.4057 7.54889 3.92737 9.81956 8.46823 numMergedOcc 0
50 mol 98 unq 3 iso 0 dist 6.7117 8.40073 4.47349 4.4057 6.88901 9.67482 5.10496 3.94967 5.2571 4.62494 numMergedOcc 0
51 mol 98 unq 3 iso 1 dist 4.47349 8.40073 6.7117 9.67482 6.88901 4.4057 5.2571 3.94967 5.10496 4.62494 numMergedOcc 0
52 mol 98 unq 4 iso 0 dist 6.7117 10.2427 5.65185 7.94178 7.36769 7.28361 9.81956 3.92737 7.78931 9.25444 numMergedOcc 0
53 mol 98 unq 4 iso 1 dist 5.65185 10.2427 6.7117 7.28361 7.36769 7.94178 7.78931 3.92737 9.81956 9.25444 numMergedOcc 0
54 mol 98 unq 5 iso 0 dist 6.7117 10.2427 5.65185 7.94178 7.36769 7.28361 5.10496 3.94967 8.7497 9.84703 numMergedOcc 0
55 mol 98 unq 5 iso 1 dist 5.65185 10.2427 6.7117 7.28361 7.36769 7.94178 8.7497 3.94967 5.10496 9.84703 numMergedOcc 0
56 mol 98 unq 6 iso 0 dist 6.7117 10.2427 5.65185 4.4057 6.88901 12.0974 9.81956 3.92737 7.78931 8.46823 numMergedOcc 0
57 mol 98 unq 6 iso 1 dist 5.65185 10.2427 6.7117 12.0974 6.88901 4.4057 7.78931 3.92737 9.81956 8.46823 numMergedOcc 0
58 mol 98 unq 7 iso 0 dist 6.7117 10.2427 5.65185 4.4057 6.88901 12.0974 5.10496 3.94967 8.7497 4.62494 numMergedOcc 0
59 mol 98 unq 7 iso 1 dist 5.65185 10.2427 6.7117 12.0974 6.88901 4.4057 8.7497 3.94967 5.10496 4.62494 numMergedOcc 0
60 mol 98 unq 4 iso 0 dist 4.47349 5.02887 5.65185 9.85543 7.36769 7.28361 7.54889 3.92737 7.78931 9.25444 numMergedOcc 0
61 mol 98 unq 4 iso 1 dist 5.65185 5.02887 4.47349 7.28361 7.36769 9.85543 7.78931 3.92737 7.54889 9.25444 numMergedOcc 0
62 mol 98 unq 5 iso 0 dist 4.47349 5.02887 5.65185 9.85543 7.36769 7.28361 5.2571 3.94967 8.7497 9.84703 numMergedOcc 0
63 mol 98 unq 5 iso 1 dist 5.65185 5.02887 4.47349 7.28361 7.36769 9.85543 8.7497 3.94967 5.2571 9.84703 numMergedOcc 0
64 mol 98 unq 6 iso 0 dist 4.47349 5.02887 5.65185 9.67482 6.88901 12.0974 7.54889 3.92737 7.78931 8.46823 numMergedOcc 0
65 mol 98 unq 6 iso 1 dist 5.65185 5.02887 4.47349 12.0974 6.88901 9.67482 7.78931 3.92737 7.54889 8.46823 numMergedOcc 0
66 mol 98 unq 7 iso 0 dist 4.47349 5.02887 5.65185 9.67482 6.88901 12.0974 5.2571 3.94967 8.7497 4.62494 numMergedOcc 0
67 mol 98 unq 7 iso 1 dist 5.65185 5.02887 4.47349 12.0974 6.88901 9.67482 8.7497 3.94967 5.2571 4.62494 numMergedOcc 0
68 mol 100 unq 0 iso 0 dist 7.80975 10.8586 7.10378 5.42531 9.5057 8.4128 9.21662 12.48 10.5432 6.59691 numMergedOcc 0
69 mol 100 unq 0 iso 1 dist 7.10378 10.8586 7.80975 8.4128 9.5057 5.42531 10.5432 12.48 9.21662 6.59691 numMergedOcc 0
70 mol 134 unq 0 iso 0 dist 5.83771 5.79898 7.80532 4.60632 6.40575 5.71679 13.0242 15.0575 11.988 9.0176 numMergedOcc 0
71 mol 134 unq 0 iso 1 dist 7.80532 5.79898 5.83771 5.71679 6.40575 4.60632 11.988 15.0575 13.0242 9.0176 numMergedOcc 0
72 mol 141 unq 0 iso 0 dist 9.97343 11.4307 9.70413 10.1432 6.83404 7.27731 11.5913 10.0208 13.0178 5.92302 numMergedOcc 0
73 mol 141 unq 0 iso 1 dist 9.70413 11.4307 9.97343 7.27731 6.83404 10.1432 13.0178 10.0208 11.5913 5.92302 numMergedOcc 0
74 mol 171 unq 0 iso 0 dist 6.64834 4.91149 5.93786 4.78075 5.25109 7.9651 11.8105 11.4851 15.3457 7.47964 numMergedOcc 0
75 mol 171 unq 0 iso 1 dist 5.93786 4.91149 6.64834 7.9651 5.25109 4.78075 15.3457 11.4851 11.8105 7.47964 numMergedOcc 0
76 mol 171 unq 1 iso 0 dist 6.64834 11.6409 8.24693 4.78075 5.25109 12.6853 11.8105 11.4851 18.9149 7.47964 numMergedOcc 0
77 mol 171 unq 1 iso 1 dist 8.24693 11.6409 6.64834 12.6853 5.25109 4.78075 18.9149 11.4851 11.8105 7.47964 numMergedOcc 0
78 mol 171 unq 2 iso 0 dist 6.64834 5.51687 7.36698 4.78075 5.25109 5.90026 11.8105 11.4851 11.8153 7.47964 numMergedOcc 0
79 mol 171 unq 2 iso 1 dist 7.36698 5.51687 6.64834 5.90026 5.25109 4.78075 11.8153 11.4851 11.8105 7.47964 numMergedOcc 0
80 mol 171 unq 1 iso 0 dist 5.93786 7.31409 8.24693 7.9651 5.25109 12.6853 15.3457 11.4851 18.9149 7.47964 numMergedOcc 0
81 mol 171 unq 1 iso 1 dist 8.24693 7.31409 5.93786 12.6853 5.25109 7.9651 18.9149 11.4851 15.3457 7.47964 numMergedOcc 0
82 mol 171 unq 2 iso 0 dist 5.93786 8.07119 7.36698 7.9651 5.25109 5.90026 15.3457 11.4851 11.8153 7.47964 numMergedOcc 0
83 mol 171 unq 2 iso 1 dist 7.36698 8.07119 5.93786 5.90026 5.25109 7.9651 11.8153 11.4851 15.3457 7.47964 numMergedOcc 0
84 mol 171 unq 2 iso 0 dist 8.24693 14.1033 7.36698 12.6853 5.25109 5.90026 18.9149 11.4851 11.8153 7.47964 numMergedOcc 0
85 mol 171 unq 2 iso 1 dist 7.36698 14.1033 8.24693 5.90026 5.25109 12.6853 11.8153 11.4851 18.9149 7.47964 numMergedOcc 0
86 mol 171 unq 3 iso 0 dist 8.1344 7.31409 6.71356 7.9651 8.21618 12.6853 15.3457 12.9811 18.9149 7.47964 numMergedOcc 0
87 mol 171 unq 3 iso 1 dist 6.71356 7.31409 8.1344 12.6853 8.21618 7.9651 18.9149 12.9811 15.3457 7.47964 numMergedOcc 0
88 mol 181 unq 0 iso 0 dist 6.2479 6.01247 6.22122 4.43096 7.32087 6.06566 10.0802 5.3698 10.0333 9.06571 numMergedOcc 0
89 mol 181 unq 0 iso 1 dist 6.22122 6.01247 6.2479 6.06566 7.32087 4.43096 10.0333 5.3698 10.0802 9.06571 numMergedOcc 0
90 mol 181 unq 1 iso 0 dist 6.2479 6.01247 6.22122 4.43096 7.32087 6.06566 9.76212 6.39406 8.59874 7.35884 numMergedOcc 0
91 mol 181 unq 1 iso 1 dist 6.22122 6.01247 6.2479 6.06566 7.32087 4.43096 8.59874 6.39406 9.76212 7.35884 numMergedOcc 0
92 mol 181 unq 2 iso 0 dist 6.2479 6.01247 6.22122 8.04639 8.86197 13.0409 10.0802 5.3698 10.0333 9.88897 numMergedOcc 0
93 mol 181 unq 2 iso 1 dist 6.22122 6.01247 6.2479 13.0409 8.86197 8.04639 10.0333 5.3698 10.0802 9.88897 numMergedOcc 0
94 mol 181 unq 3 iso 0 dist 6.2479 8.88798 7.99195 4.43096 7.32087 12.2164 10.0802 5.3698 10.9279 9.06571 numMergedOcc 0
95 mol 181 unq 3 iso 1 dist 7.99195 8.88798 6.2479 12.2164 7.32087 4.43096 10.9279 5.3698 10.0802 9.06571 numMergedOcc 0
96 mol 181 unq 4 iso 0 dist 6.2479 8.88798 7.99195 4.43096 7.32087 12.2164 9.76212 6.39406 13.2783 7.35884 numMergedOcc 0
97 mol 181 unq 4 iso 1 dist 7.99195 8.88798 6.2479 12.2164 7.32087 4.43096 13.2783 6.39406 9.76212 7.35884 numMergedOcc 0
98 mol 181 unq 5 iso 0 dist 6.2479 8.88798 7.99195 8.04639 8.86197 5.77299 10.0802 5.3698 10.9279 9.88897 numMergedOcc 0
99 mol 181 unq 5 iso 1 dist 7.99195 8.88798 6.2479 5.77299 8.86197 8.04639 10.9279 5.3698 10.0802 9.88897 numMergedOcc 0
100 mol 181 unq 3 iso 0 dist 6.22122 12.6324 7.99195 6.06566 7.32087 12.2164 10.0333 5.3698 10.9279 9.06571 numMergedOcc 0
101 mol 181 unq 3 iso 1 dist 7.99195 12.6324 6.22122 12.2164 7.32087 6.06566 10.9279 5.3698 10.0333 9.06571 numMergedOcc 0
102 mol 181 unq 4 iso 0 dist 6.22122 12.6324 7.99195 6.06566 7.32087 12.2164 8.59874 6.39406 13.2783 7.35884 numMergedOcc 0
103 mol 181 unq 4 iso 1 dist 7.99195 12.6324 6.22122 12.2164 7.32087 6.06566 13.2783 6.39406 8.59874 7.35884 numMergedOcc 0
104 mol 181 unq 5 iso 0 dist 6.22122 12.6324 7.99195 13.0409 8.86197 5.77299 10.0333 5.3698 10.9279 9.88897 numMergedOcc 0
105 mol 181 unq 5 iso 1 dist 7.99195 12.6324 6.22122 5.77299 8.86197 13.0409 10.9279 5.3698 10.0333 9.88897 numMergedOcc 0
106 mol 232 unq 0 iso 0 dist 8.50102 6.56633 9.40808 12.3508 9.8664 8.80479 11.4909 4.68548 10.3021 6.59036 numMergedOcc 0
107 mol 232 unq 0 iso 1 dist 9.40808 6.56633 8.50102 8.80479 9.8664 12.3508 10.3021 4.68548 11.4909 6.59036 numMergedOcc 0
