0 mol 11 unq 0 iso 0 dist 6.35398 10.9183 7.98326 15.1065 9.74251 6.859 numMergedOcc 0
1 mol 15 unq 0 iso 0 dist 6.42748 10.1154 6.03257 8.85174 5.20798 6.23015 numMergedOcc 0
2 mol 15 unq 1 iso 0 dist 7.48342 4.29582 6.03257 9.84471 5.20798 6.23015 numMergedOcc 0
3 mol 19 unq 0 iso 0 dist 6.41575 9.74255 9.95212 13.0732 9.79414 8.54034 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 6.41423 7.08342 9.95212 12.2354 9.79414 8.54034 numMergedOcc 0
5 mol 24 unq 0 iso 0 dist 7.33768 6.66749 8.00171 10.2862 5.70626 9.85784 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 7.33768 6.66749 8.00171 11.825 5.62738 9.87996 numMergedOcc 0
7 mol 24 unq 2 iso 0 dist 9.41441 12.2662 5.95834 17.6792 12.5545 9.73647 numMergedOcc 0
8 mol 24 unq 3 iso 0 dist 9.41441 12.2662 5.95834 12.5088 4.08755 7.26334 numMergedOcc 0
9 mol 24 unq 4 iso 0 dist 9.41441 12.2662 5.95834 15.4457 6.86136 5.78532 numMergedOcc 0
10 mol 24 unq 5 iso 0 dist 9.41441 8.67951 4.2121 12.5088 4.08755 6.19899 numMergedOcc 0
11 mol 24 unq 6 iso 0 dist 9.41441 8.67951 4.2121 15.4457 6.86136 8.49709 numMergedOcc 0
12 mol 24 unq 7 iso 0 dist 9.41441 8.52463 6.72323 12.5088 4.08755 6.61696 numMergedOcc 0
13 mol 24 unq 8 iso 0 dist 9.41441 8.52463 6.72323 7.95042 10.0453 5.80953 numMergedOcc 0
14 mol 24 unq 9 iso 0 dist 9.01567 6.66749 4.2121 10.2862 11.076 9.85784 numMergedOcc 0
15 mol 24 unq 10 iso 0 dist 9.01567 6.66749 4.2121 11.825 9.68535 9.87996 numMergedOcc 0
16 mol 24 unq 11 iso 0 dist 6.73939 6.56748 5.95834 6.6219 12.5545 9.73647 numMergedOcc 0
17 mol 24 unq 12 iso 0 dist 6.73939 6.56748 5.95834 5.68215 4.08755 7.26334 numMergedOcc 0
18 mol 24 unq 13 iso 0 dist 6.73939 6.56748 5.95834 10.4441 6.86136 5.78532 numMergedOcc 0
19 mol 24 unq 14 iso 0 dist 6.73939 4.50066 4.2121 5.68215 4.08755 6.19899 numMergedOcc 0
20 mol 24 unq 15 iso 0 dist 6.73939 4.50066 4.2121 10.4441 6.86136 8.49709 numMergedOcc 0
21 mol 24 unq 16 iso 0 dist 6.73939 5.11617 6.72323 5.68215 4.08755 6.61696 numMergedOcc 0
22 mol 24 unq 17 iso 0 dist 6.73939 5.11617 6.72323 10.9113 10.0453 5.80953 numMergedOcc 0
23 mol 24 unq 18 iso 0 dist 8.4051 12.176 6.72323 20.8425 14.6305 9.85784 numMergedOcc 0
24 mol 24 unq 19 iso 0 dist 8.4051 12.176 6.72323 19.3627 14.3224 9.87996 numMergedOcc 0
25 mol 24 unq 20 iso 0 dist 7.29868 6.66749 6.72323 10.2862 14.6305 9.85784 numMergedOcc 0
26 mol 24 unq 21 iso 0 dist 7.29868 6.66749 6.72323 11.825 14.3224 9.87996 numMergedOcc 0
27 mol 24 unq 22 iso 0 dist 8.60554 14.012 6.72323 18.188 14.6305 9.85784 numMergedOcc 0
28 mol 24 unq 23 iso 0 dist 8.60554 14.012 6.72323 18.4146 14.3224 9.87996 numMergedOcc 0
29 mol 25 unq 0 iso 0 dist 8.87757 7.33728 6.25843 7.05196 3.904 5.20109 numMergedOcc 0
30 mol 25 unq 1 iso 0 dist 6.16347 6.08585 6.25843 11.037 4.98822 9.16515 numMergedOcc 0
31 mol 25 unq 2 iso 0 dist 6.16347 6.08585 6.25843 13.0315 7.91914 9.82987 numMergedOcc 0
32 mol 25 unq 3 iso 0 dist 6.16347 6.08585 6.25843 11.971 10.9145 9.40732 numMergedOcc 0
33 mol 25 unq 4 iso 0 dist 6.16347 6.08585 6.25843 9.48085 9.62058 6.53269 numMergedOcc 0
34 mol 25 unq 5 iso 0 dist 7.45383 5.77929 6.25843 6.55597 4.98822 9.16515 numMergedOcc 0
35 mol 25 unq 6 iso 0 dist 7.45383 5.77929 6.25843 7.07751 7.91914 9.82987 numMergedOcc 0
36 mol 25 unq 7 iso 0 dist 7.45383 5.77929 6.25843 11.008 10.9145 9.40732 numMergedOcc 0
37 mol 25 unq 8 iso 0 dist 7.45383 5.77929 6.25843 9.49421 9.62058 6.53269 numMergedOcc 0
38 mol 25 unq 9 iso 0 dist 9.01548 5.77929 8.88938 6.55597 13.4321 9.16515 numMergedOcc 0
39 mol 25 unq 10 iso 0 dist 9.01548 5.77929 8.88938 7.07751 9.66912 9.82987 numMergedOcc 0
40 mol 25 unq 11 iso 0 dist 9.01548 5.77929 8.88938 11.008 5.86134 9.40732 numMergedOcc 0
41 mol 25 unq 12 iso 0 dist 9.01548 5.77929 8.88938 9.49421 5.38592 6.53269 numMergedOcc 0
42 mol 25 unq 13 iso 0 dist 8.50222 9.34396 6.25843 10.9703 3.904 5.20109 numMergedOcc 0
43 mol 25 unq 14 iso 0 dist 7.55264 10.8498 6.25843 10.3338 3.904 5.20109 numMergedOcc 0
44 mol 60 unq 0 iso 0 dist 9.90939 5.94827 8.97364 8.4312 5.85676 6.63448 numMergedOcc 0
45 mol 91 unq 0 iso 0 dist 5.73743 10.1024 8.66165 10.6846 10.6223 8.77355 numMergedOcc 0
46 mol 98 unq 0 iso 0 dist 6.7117 7.94178 7.36769 9.81956 3.92737 9.25444 numMergedOcc 0
47 mol 98 unq 1 iso 0 dist 6.7117 7.94178 7.36769 5.10496 3.94967 9.84703 numMergedOcc 0
48 mol 98 unq 2 iso 0 dist 6.7117 4.4057 6.88901 9.81956 3.92737 8.46823 numMergedOcc 0
49 mol 98 unq 3 iso 0 dist 6.7117 4.4057 6.88901 5.10496 3.94967 4.62494 numMergedOcc 0
50 mol 98 unq 4 iso 0 dist 4.47349 9.85543 7.36769 7.54889 3.92737 9.25444 numMergedOcc 0
51 mol 98 unq 5 iso 0 dist 4.47349 9.85543 7.36769 5.2571 3.94967 9.84703 numMergedOcc 0
52 mol 98 unq 6 iso 0 dist 4.47349 9.67482 6.88901 7.54889 3.92737 8.46823 numMergedOcc 0
53 mol 98 unq 7 iso 0 dist 4.47349 9.67482 6.88901 5.2571 3.94967 4.62494 numMergedOcc 0
54 mol 98 unq 8 iso 0 dist 5.65185 7.28361 7.36769 7.78931 3.92737 9.25444 numMergedOcc 0
55 mol 98 unq 9 iso 0 dist 5.65185 7.28361 7.36769 8.7497 3.94967 9.84703 numMergedOcc 0
56 mol 98 unq 10 iso 0 dist 5.65185 12.0974 6.88901 7.78931 3.92737 8.46823 numMergedOcc 0
57 mol 98 unq 11 iso 0 dist 5.65185 12.0974 6.88901 8.7497 3.94967 4.62494 numMergedOcc 0
58 mol 100 unq 0 iso 0 dist 7.80975 5.42531 9.5057 9.21662 12.48 6.59691 numMergedOcc 0
59 mol 100 unq 1 iso 0 dist 7.10378 8.4128 9.5057 10.5432 12.48 6.59691 numMergedOcc 0
60 mol 129 unq 0 iso 0 dist 6.28565 7.29399 7.59327 11.8464 8.3321 9.35533 numMergedOcc 0
61 mol 134 unq 0 iso 0 dist 5.83771 4.60632 6.40575 13.0242 15.0575 9.0176 numMergedOcc 0
62 mol 134 unq 1 iso 0 dist 7.80532 5.71679 6.40575 11.988 15.0575 9.0176 numMergedOcc 0
63 mol 141 unq 0 iso 0 dist 9.97343 10.1432 6.83404 11.5913 10.0208 5.92302 numMergedOcc 0
64 mol 141 unq 1 iso 0 dist 9.70413 7.27731 6.83404 13.0178 10.0208 5.92302 numMergedOcc 0
65 mol 171 unq 0 iso 0 dist 9.61462 11.5561 5.25109 19.4298 10.0655 9.34834 numMergedOcc 0
66 mol 171 unq 1 iso 0 dist 9.61462 11.5561 5.25109 13.5 4.88147 5.74846 numMergedOcc 0
67 mol 171 unq 2 iso 0 dist 6.64834 4.78075 5.25109 11.8105 11.4851 7.47964 numMergedOcc 0
68 mol 171 unq 3 iso 0 dist 5.93786 7.9651 5.25109 15.3457 11.4851 7.47964 numMergedOcc 0
69 mol 171 unq 4 iso 0 dist 8.24693 12.6853 5.25109 18.9149 11.4851 7.47964 numMergedOcc 0
70 mol 171 unq 5 iso 0 dist 7.36698 5.90026 5.25109 11.8153 11.4851 7.47964 numMergedOcc 0
71 mol 171 unq 6 iso 0 dist 8.1344 7.9651 8.21618 15.3457 12.9811 7.47964 numMergedOcc 0
72 mol 171 unq 7 iso 0 dist 6.71356 12.6853 8.21618 18.9149 12.9811 7.47964 numMergedOcc 0
73 mol 181 unq 0 iso 0 dist 6.2479 4.43096 7.32087 10.0802 5.3698 9.06571 numMergedOcc 0
74 mol 181 unq 1 iso 0 dist 6.2479 4.43096 7.32087 9.76212 6.39406 7.35884 numMergedOcc 0
75 mol 181 unq 2 iso 0 dist 6.2479 8.04639 8.86197 10.0802 5.3698 9.88897 numMergedOcc 0
76 mol 181 unq 3 iso 0 dist 6.22122 6.06566 7.32087 10.0333 5.3698 9.06571 numMergedOcc 0
77 mol 181 unq 4 iso 0 dist 6.22122 6.06566 7.32087 8.59874 6.39406 7.35884 numMergedOcc 0
78 mol 181 unq 5 iso 0 dist 6.22122 13.0409 8.86197 10.0333 5.3698 9.88897 numMergedOcc 0
79 mol 181 unq 6 iso 0 dist 9.72611 12.7358 7.22883 18.76 14.2282 8.12266 numMergedOcc 0
80 mol 181 unq 7 iso 0 dist 9.72611 12.7358 7.22883 18.6809 10.273 9.43306 numMergedOcc 0
81 mol 181 unq 8 iso 0 dist 9.72611 12.7358 7.22883 13.7845 5.14966 8.59681 numMergedOcc 0
82 mol 181 unq 9 iso 0 dist 7.99195 12.2164 7.32087 10.9279 5.3698 9.06571 numMergedOcc 0
83 mol 181 unq 10 iso 0 dist 7.99195 12.2164 7.32087 13.2783 6.39406 7.35884 numMergedOcc 0
84 mol 181 unq 11 iso 0 dist 7.99195 5.77299 8.86197 10.9279 5.3698 9.88897 numMergedOcc 0
85 mol 184 unq 0 iso 0 dist 6.42735 8.08596 7.54099 5.96423 4.67256 7.58375 numMergedOcc 0
86 mol 192 unq 0 iso 0 dist 8.77999 12.717 6.60053 11.9951 5.80651 9.40971 numMergedOcc 0
87 mol 192 unq 1 iso 0 dist 8.77999 14.8459 9.36796 11.9951 5.80651 9.8428 numMergedOcc 0
88 mol 232 unq 0 iso 0 dist 8.50102 12.3508 9.8664 11.4909 4.68548 6.59036 numMergedOcc 0
89 mol 232 unq 1 iso 0 dist 9.40808 8.80479 9.8664 10.3021 4.68548 6.59036 numMergedOcc 0
90 mol 232 unq 2 iso 0 dist 9.05071 4.9377 9.8664 6.71524 11.2243 9.9183 numMergedOcc 0
91 mol 273 unq 0 iso 0 dist 8.49177 4.60101 7.16346 12.205 8.43367 7.85836 numMergedOcc 0
92 mol 273 unq 1 iso 0 dist 8.49177 4.60101 7.16346 9.59325 3.78984 6.35532 numMergedOcc 0
93 mol 274 unq 0 iso 0 dist 9.85289 5.29529 6.88827 12.8334 13.3632 8.60027 numMergedOcc 0
