0 mol 11 unq 0 iso 0 dist 5.96346 10.7734 7.98326 4.10106 6.859 9.74251 14.7815 10.9183 6.35398 15.1065 numMergedOcc 0
1 mol 15 unq 0 iso 0 dist 5.89412 9.75966 6.03257 6.91314 6.23015 5.20798 11.3543 10.1154 6.42748 8.85174 numMergedOcc 0
2 mol 15 unq 1 iso 0 dist 5.89412 9.75966 6.03257 6.91314 6.23015 5.20798 9.88835 4.29582 7.48342 9.84471 numMergedOcc 0
3 mol 15 unq 2 iso 0 dist 7.07399 4.39605 6.03257 5.49251 6.23015 5.20798 10.6338 10.1154 6.42748 8.85174 numMergedOcc 0
4 mol 15 unq 3 iso 0 dist 7.07399 4.39605 6.03257 5.49251 6.23015 5.20798 8.38064 4.29582 7.48342 9.84471 numMergedOcc 0
5 mol 19 unq 0 iso 0 dist 8.40416 4.64838 9.95212 10.4416 8.54034 9.79414 8.4674 9.74255 6.41575 13.0732 numMergedOcc 0
6 mol 19 unq 1 iso 0 dist 8.40416 4.64838 9.95212 10.4416 8.54034 9.79414 4.51865 7.08342 6.41423 12.2354 numMergedOcc 0
7 mol 19 unq 2 iso 0 dist 7.75618 4.97119 9.95212 8.7083 8.54034 9.79414 4.54938 9.74255 6.41575 13.0732 numMergedOcc 0
8 mol 19 unq 3 iso 0 dist 7.75618 4.97119 9.95212 8.7083 8.54034 9.79414 6.864 7.08342 6.41423 12.2354 numMergedOcc 0
9 mol 24 unq 0 iso 0 dist 9.41441 4.32034 8.00171 9.88364 9.85784 5.70626 6.86014 6.66749 7.33768 10.2862 numMergedOcc 0
10 mol 24 unq 1 iso 0 dist 9.41441 4.32034 8.00171 9.78753 9.87996 5.62738 6.86014 6.66749 7.33768 11.825 numMergedOcc 0
11 mol 24 unq 2 iso 0 dist 9.41441 8.67951 4.2121 9.88364 9.85784 11.076 6.86014 6.66749 9.01567 10.2862 numMergedOcc 0
12 mol 24 unq 3 iso 0 dist 9.41441 8.67951 4.2121 9.78753 9.87996 9.68535 6.86014 6.66749 9.01567 11.825 numMergedOcc 0
13 mol 24 unq 4 iso 0 dist 9.41441 8.52463 6.72323 9.88364 9.85784 14.6305 15.5324 12.176 8.4051 20.8425 numMergedOcc 0
14 mol 24 unq 5 iso 0 dist 9.41441 8.52463 6.72323 9.88364 9.85784 14.6305 6.86014 6.66749 7.29868 10.2862 numMergedOcc 0
15 mol 24 unq 6 iso 0 dist 9.41441 8.52463 6.72323 9.88364 9.85784 14.6305 8.86116 14.012 8.60554 18.188 numMergedOcc 0
16 mol 24 unq 7 iso 0 dist 9.41441 8.52463 6.72323 9.78753 9.87996 14.3224 15.5324 12.176 8.4051 19.3627 numMergedOcc 0
17 mol 24 unq 8 iso 0 dist 9.41441 8.52463 6.72323 9.78753 9.87996 14.3224 6.86014 6.66749 7.29868 11.825 numMergedOcc 0
18 mol 24 unq 9 iso 0 dist 9.41441 8.52463 6.72323 9.78753 9.87996 14.3224 8.86116 14.012 8.60554 18.4146 numMergedOcc 0
19 mol 24 unq 10 iso 0 dist 9.01567 6.66749 4.2121 8.91183 6.19899 4.08755 6.86014 8.67951 9.41441 12.5088 numMergedOcc 0
20 mol 24 unq 11 iso 0 dist 9.01567 6.66749 4.2121 8.91183 6.19899 4.08755 11.0194 4.50066 6.73939 5.68215 numMergedOcc 0
21 mol 24 unq 12 iso 0 dist 9.01567 6.66749 4.2121 13.0212 8.49709 6.86136 6.86014 8.67951 9.41441 15.4457 numMergedOcc 0
22 mol 24 unq 13 iso 0 dist 9.01567 6.66749 4.2121 13.0212 8.49709 6.86136 11.0194 4.50066 6.73939 10.4441 numMergedOcc 0
23 mol 24 unq 14 iso 0 dist 6.73939 4.50066 4.2121 15.4313 9.85784 11.076 11.0194 6.66749 9.01567 10.2862 numMergedOcc 0
24 mol 24 unq 15 iso 0 dist 6.73939 4.50066 4.2121 14.1829 9.87996 9.68535 11.0194 6.66749 9.01567 11.825 numMergedOcc 0
25 mol 24 unq 16 iso 0 dist 6.73939 11.9112 8.00171 15.4313 9.85784 5.70626 11.0194 6.66749 7.33768 10.2862 numMergedOcc 0
26 mol 24 unq 17 iso 0 dist 6.73939 11.9112 8.00171 14.1829 9.87996 5.62738 11.0194 6.66749 7.33768 11.825 numMergedOcc 0
27 mol 24 unq 18 iso 0 dist 6.73939 5.11617 6.72323 15.4313 9.85784 14.6305 5.54419 12.176 8.4051 20.8425 numMergedOcc 0
28 mol 24 unq 19 iso 0 dist 6.73939 5.11617 6.72323 15.4313 9.85784 14.6305 11.0194 6.66749 7.29868 10.2862 numMergedOcc 0
29 mol 24 unq 20 iso 0 dist 6.73939 5.11617 6.72323 15.4313 9.85784 14.6305 13.2433 14.012 8.60554 18.188 numMergedOcc 0
30 mol 24 unq 21 iso 0 dist 6.73939 5.11617 6.72323 14.1829 9.87996 14.3224 5.54419 12.176 8.4051 19.3627 numMergedOcc 0
31 mol 24 unq 22 iso 0 dist 6.73939 5.11617 6.72323 14.1829 9.87996 14.3224 11.0194 6.66749 7.29868 11.825 numMergedOcc 0
32 mol 24 unq 23 iso 0 dist 6.73939 5.11617 6.72323 14.1829 9.87996 14.3224 13.2433 14.012 8.60554 18.4146 numMergedOcc 0
33 mol 24 unq 24 iso 0 dist 8.4051 12.176 6.72323 10.1698 6.61696 4.08755 15.5324 8.52463 9.41441 12.5088 numMergedOcc 0
34 mol 24 unq 25 iso 0 dist 8.4051 12.176 6.72323 10.1698 6.61696 4.08755 5.54419 5.11617 6.73939 5.68215 numMergedOcc 0
35 mol 24 unq 26 iso 0 dist 8.4051 12.176 6.72323 13.6174 5.80953 10.0453 15.5324 8.52463 9.41441 7.95042 numMergedOcc 0
36 mol 24 unq 27 iso 0 dist 8.4051 12.176 6.72323 13.6174 5.80953 10.0453 5.54419 5.11617 6.73939 10.9113 numMergedOcc 0
37 mol 24 unq 28 iso 0 dist 7.29868 6.66749 6.72323 8.91183 6.61696 4.08755 6.86014 8.52463 9.41441 12.5088 numMergedOcc 0
38 mol 24 unq 29 iso 0 dist 7.29868 6.66749 6.72323 8.91183 6.61696 4.08755 11.0194 5.11617 6.73939 5.68215 numMergedOcc 0
39 mol 24 unq 30 iso 0 dist 7.29868 6.66749 6.72323 5.69214 5.80953 10.0453 6.86014 8.52463 9.41441 7.95042 numMergedOcc 0
40 mol 24 unq 31 iso 0 dist 7.29868 6.66749 6.72323 5.69214 5.80953 10.0453 11.0194 5.11617 6.73939 10.9113 numMergedOcc 0
41 mol 24 unq 32 iso 0 dist 8.60554 14.012 6.72323 14.8647 6.61696 4.08755 8.86116 8.52463 9.41441 12.5088 numMergedOcc 0
42 mol 24 unq 33 iso 0 dist 8.60554 14.012 6.72323 14.8647 6.61696 4.08755 13.2433 5.11617 6.73939 5.68215 numMergedOcc 0
43 mol 24 unq 34 iso 0 dist 8.60554 14.012 6.72323 5.11636 5.80953 10.0453 8.86116 8.52463 9.41441 7.95042 numMergedOcc 0
44 mol 24 unq 35 iso 0 dist 8.60554 14.012 6.72323 5.11636 5.80953 10.0453 13.2433 5.11617 6.73939 10.9113 numMergedOcc 0
45 mol 25 unq 0 iso 0 dist 8.87757 7.33728 6.25843 4.69295 9.16515 4.98822 11.9561 6.08585 6.16347 11.037 numMergedOcc 0
46 mol 25 unq 1 iso 0 dist 8.87757 7.33728 6.25843 4.69295 9.16515 4.98822 5.04899 5.77929 7.45383 6.55597 numMergedOcc 0
47 mol 25 unq 2 iso 0 dist 8.87757 7.33728 6.25843 8.79309 9.82987 7.91914 11.9561 6.08585 6.16347 13.0315 numMergedOcc 0
48 mol 25 unq 3 iso 0 dist 8.87757 7.33728 6.25843 8.79309 9.82987 7.91914 5.04899 5.77929 7.45383 7.07751 numMergedOcc 0
49 mol 25 unq 4 iso 0 dist 8.87757 7.33728 6.25843 14.9206 9.40732 10.9145 11.9561 6.08585 6.16347 11.971 numMergedOcc 0
50 mol 25 unq 5 iso 0 dist 8.87757 7.33728 6.25843 14.9206 9.40732 10.9145 5.04899 5.77929 7.45383 11.008 numMergedOcc 0
51 mol 25 unq 6 iso 0 dist 8.87757 7.33728 6.25843 13.6145 6.53269 9.62058 11.9561 6.08585 6.16347 9.48085 numMergedOcc 0
52 mol 25 unq 7 iso 0 dist 8.87757 7.33728 6.25843 13.6145 6.53269 9.62058 5.04899 5.77929 7.45383 9.49421 numMergedOcc 0
53 mol 25 unq 8 iso 0 dist 8.87757 13.9331 8.88938 4.69295 9.16515 13.4321 5.04899 5.77929 9.01548 6.55597 numMergedOcc 0
54 mol 25 unq 9 iso 0 dist 8.87757 13.9331 8.88938 8.79309 9.82987 9.66912 5.04899 5.77929 9.01548 7.07751 numMergedOcc 0
55 mol 25 unq 10 iso 0 dist 8.87757 13.9331 8.88938 14.9206 9.40732 5.86134 5.04899 5.77929 9.01548 11.008 numMergedOcc 0
56 mol 25 unq 11 iso 0 dist 8.87757 13.9331 8.88938 13.6145 6.53269 5.38592 5.04899 5.77929 9.01548 9.49421 numMergedOcc 0
57 mol 25 unq 12 iso 0 dist 6.16347 6.08585 6.25843 5.63212 5.20109 3.904 11.9561 7.33728 8.87757 7.05196 numMergedOcc 0
58 mol 25 unq 13 iso 0 dist 6.16347 6.08585 6.25843 5.63212 5.20109 3.904 7.57578 9.34396 8.50222 10.9703 numMergedOcc 0
59 mol 25 unq 14 iso 0 dist 6.16347 6.08585 6.25843 5.63212 5.20109 3.904 7.17969 10.8498 7.55264 10.3338 numMergedOcc 0
60 mol 25 unq 15 iso 0 dist 7.45383 5.77929 6.25843 6.47509 5.20109 3.904 5.04899 7.33728 8.87757 7.05196 numMergedOcc 0
61 mol 25 unq 16 iso 0 dist 7.45383 5.77929 6.25843 6.47509 5.20109 3.904 12.7009 9.34396 8.50222 10.9703 numMergedOcc 0
62 mol 25 unq 17 iso 0 dist 7.45383 5.77929 6.25843 6.47509 5.20109 3.904 12.8117 10.8498 7.55264 10.3338 numMergedOcc 0
63 mol 25 unq 18 iso 0 dist 8.50222 9.34396 6.25843 13.2447 9.16515 4.98822 7.57578 6.08585 6.16347 11.037 numMergedOcc 0
64 mol 25 unq 19 iso 0 dist 8.50222 9.34396 6.25843 13.2447 9.16515 4.98822 12.7009 5.77929 7.45383 6.55597 numMergedOcc 0
65 mol 25 unq 20 iso 0 dist 8.50222 9.34396 6.25843 11.8139 9.82987 7.91914 7.57578 6.08585 6.16347 13.0315 numMergedOcc 0
66 mol 25 unq 21 iso 0 dist 8.50222 9.34396 6.25843 11.8139 9.82987 7.91914 12.7009 5.77929 7.45383 7.07751 numMergedOcc 0
67 mol 25 unq 22 iso 0 dist 8.50222 9.34396 6.25843 6.28979 9.40732 10.9145 7.57578 6.08585 6.16347 11.971 numMergedOcc 0
68 mol 25 unq 23 iso 0 dist 8.50222 9.34396 6.25843 6.28979 9.40732 10.9145 12.7009 5.77929 7.45383 11.008 numMergedOcc 0
69 mol 25 unq 24 iso 0 dist 8.50222 9.34396 6.25843 5.18617 6.53269 9.62058 7.57578 6.08585 6.16347 9.48085 numMergedOcc 0
70 mol 25 unq 25 iso 0 dist 8.50222 9.34396 6.25843 5.18617 6.53269 9.62058 12.7009 5.77929 7.45383 9.49421 numMergedOcc 0
71 mol 25 unq 26 iso 0 dist 8.50222 10.5328 8.88938 13.2447 9.16515 13.4321 12.7009 5.77929 9.01548 6.55597 numMergedOcc 0
72 mol 25 unq 27 iso 0 dist 8.50222 10.5328 8.88938 11.8139 9.82987 9.66912 12.7009 5.77929 9.01548 7.07751 numMergedOcc 0
73 mol 25 unq 28 iso 0 dist 8.50222 10.5328 8.88938 6.28979 9.40732 5.86134 12.7009 5.77929 9.01548 11.008 numMergedOcc 0
74 mol 25 unq 29 iso 0 dist 8.50222 10.5328 8.88938 5.18617 6.53269 5.38592 12.7009 5.77929 9.01548 9.49421 numMergedOcc 0
75 mol 25 unq 30 iso 0 dist 7.55264 10.8498 6.25843 14.9982 9.16515 4.98822 7.17969 6.08585 6.16347 11.037 numMergedOcc 0
76 mol 25 unq 31 iso 0 dist 7.55264 10.8498 6.25843 14.9982 9.16515 4.98822 12.8117 5.77929 7.45383 6.55597 numMergedOcc 0
77 mol 25 unq 32 iso 0 dist 7.55264 10.8498 6.25843 14.1251 9.82987 7.91914 7.17969 6.08585 6.16347 13.0315 numMergedOcc 0
78 mol 25 unq 33 iso 0 dist 7.55264 10.8498 6.25843 14.1251 9.82987 7.91914 12.8117 5.77929 7.45383 7.07751 numMergedOcc 0
79 mol 25 unq 34 iso 0 dist 7.55264 10.8498 6.25843 8.41421 9.40732 10.9145 7.17969 6.08585 6.16347 11.971 numMergedOcc 0
80 mol 25 unq 35 iso 0 dist 7.55264 10.8498 6.25843 8.41421 9.40732 10.9145 12.8117 5.77929 7.45383 11.008 numMergedOcc 0
81 mol 25 unq 36 iso 0 dist 7.55264 10.8498 6.25843 5.68041 6.53269 9.62058 7.17969 6.08585 6.16347 9.48085 numMergedOcc 0
82 mol 25 unq 37 iso 0 dist 7.55264 10.8498 6.25843 5.68041 6.53269 9.62058 12.8117 5.77929 7.45383 9.49421 numMergedOcc 0
83 mol 25 unq 38 iso 0 dist 7.55264 10.4337 8.88938 14.9982 9.16515 13.4321 12.8117 5.77929 9.01548 6.55597 numMergedOcc 0
84 mol 25 unq 39 iso 0 dist 7.55264 10.4337 8.88938 14.1251 9.82987 9.66912 12.8117 5.77929 9.01548 7.07751 numMergedOcc 0
85 mol 25 unq 40 iso 0 dist 7.55264 10.4337 8.88938 8.41421 9.40732 5.86134 12.8117 5.77929 9.01548 11.008 numMergedOcc 0
86 mol 25 unq 41 iso 0 dist 7.55264 10.4337 8.88938 5.68041 6.53269 5.38592 12.8117 5.77929 9.01548 9.49421 numMergedOcc 0
87 mol 91 unq 0 iso 0 dist 9.30539 4.57085 8.66165 12.6799 8.77355 10.6223 10.2307 10.1024 5.73743 10.6846 numMergedOcc 0
88 mol 98 unq 0 iso 0 dist 6.65501 7.06961 6.88901 10.4782 8.46823 3.92737 5.08437 4.4057 6.7117 9.81956 numMergedOcc 0
89 mol 98 unq 1 iso 0 dist 6.65501 7.06961 6.88901 10.4782 8.46823 3.92737 6.10456 9.67482 4.47349 7.54889 numMergedOcc 0
90 mol 98 unq 2 iso 0 dist 6.65501 7.06961 6.88901 10.4782 8.46823 3.92737 10.1136 12.0974 5.65185 7.78931 numMergedOcc 0
91 mol 98 unq 3 iso 0 dist 6.65501 7.06961 6.88901 3.9764 4.62494 3.94967 5.08437 4.4057 6.7117 5.10496 numMergedOcc 0
92 mol 98 unq 4 iso 0 dist 6.65501 7.06961 6.88901 3.9764 4.62494 3.94967 6.10456 9.67482 4.47349 5.2571 numMergedOcc 0
93 mol 98 unq 5 iso 0 dist 6.65501 7.06961 6.88901 3.9764 4.62494 3.94967 10.1136 12.0974 5.65185 8.7497 numMergedOcc 0
94 mol 100 unq 0 iso 0 dist 7.01812 10.6848 9.5057 4.03277 6.59691 12.48 10.1489 5.42531 7.80975 9.21662 numMergedOcc 0
95 mol 100 unq 1 iso 0 dist 7.01812 10.6848 9.5057 4.03277 6.59691 12.48 7.17106 8.4128 7.10378 10.5432 numMergedOcc 0
96 mol 100 unq 2 iso 0 dist 8.30845 15.3454 9.5057 6.23008 6.59691 12.48 13.2001 5.42531 7.80975 9.21662 numMergedOcc 0
97 mol 100 unq 3 iso 0 dist 8.30845 15.3454 9.5057 6.23008 6.59691 12.48 10.5134 8.4128 7.10378 10.5432 numMergedOcc 0
98 mol 129 unq 0 iso 0 dist 4.97175 4.55551 7.59327 6.16616 9.35533 8.3321 5.83384 7.29399 6.28565 11.8464 numMergedOcc 0
99 mol 134 unq 0 iso 0 dist 7.69991 7.41674 6.40575 12.847 9.0176 15.0575 9.89303 4.60632 5.83771 13.0242 numMergedOcc 0
100 mol 134 unq 1 iso 0 dist 7.69991 7.41674 6.40575 12.847 9.0176 15.0575 6.54501 5.71679 7.80532 11.988 numMergedOcc 0
101 mol 134 unq 2 iso 0 dist 6.23142 9.87376 6.40575 8.06642 9.0176 15.0575 9.93925 4.60632 5.83771 13.0242 numMergedOcc 0
102 mol 134 unq 3 iso 0 dist 6.23142 9.87376 6.40575 8.06642 9.0176 15.0575 6.49416 5.71679 7.80532 11.988 numMergedOcc 0
103 mol 134 unq 4 iso 0 dist 9.94764 14.9876 6.40575 4.00092 9.0176 15.0575 14.423 4.60632 5.83771 13.0242 numMergedOcc 0
104 mol 134 unq 5 iso 0 dist 9.94764 14.9876 6.40575 4.00092 9.0176 15.0575 12.5075 5.71679 7.80532 11.988 numMergedOcc 0
105 mol 171 unq 0 iso 0 dist 9.61462 11.5561 5.25109 7.5383 7.47964 11.4851 13.05 4.78075 6.64834 11.8105 numMergedOcc 0
106 mol 171 unq 1 iso 0 dist 9.61462 11.5561 5.25109 7.5383 7.47964 11.4851 14.9792 7.9651 5.93786 15.3457 numMergedOcc 0
107 mol 171 unq 2 iso 0 dist 9.61462 11.5561 5.25109 7.5383 7.47964 11.4851 16.2078 12.6853 8.24693 18.9149 numMergedOcc 0
108 mol 171 unq 3 iso 0 dist 9.61462 11.5561 5.25109 7.5383 7.47964 11.4851 15.4802 5.90026 7.36698 11.8153 numMergedOcc 0
109 mol 171 unq 4 iso 0 dist 9.61462 10.844 8.21618 7.5383 7.47964 12.9811 14.9792 7.9651 8.1344 15.3457 numMergedOcc 0
110 mol 171 unq 5 iso 0 dist 9.61462 10.844 8.21618 7.5383 7.47964 12.9811 16.2078 12.6853 6.71356 18.9149 numMergedOcc 0
111 mol 171 unq 6 iso 0 dist 6.64834 4.78075 5.25109 8.99935 9.34834 10.0655 13.05 11.5561 9.61462 19.4298 numMergedOcc 0
112 mol 171 unq 7 iso 0 dist 6.64834 4.78075 5.25109 7.15048 5.74846 4.88147 13.05 11.5561 9.61462 13.5 numMergedOcc 0
113 mol 171 unq 8 iso 0 dist 5.93786 7.9651 5.25109 9.35703 9.34834 10.0655 14.9792 11.5561 9.61462 19.4298 numMergedOcc 0
114 mol 171 unq 9 iso 0 dist 5.93786 7.9651 5.25109 9.14311 5.74846 4.88147 14.9792 11.5561 9.61462 13.5 numMergedOcc 0
115 mol 171 unq 10 iso 0 dist 8.24693 12.6853 5.25109 14.4375 9.34834 10.0655 16.2078 11.5561 9.61462 19.4298 numMergedOcc 0
116 mol 171 unq 11 iso 0 dist 8.24693 12.6853 5.25109 13.6262 5.74846 4.88147 16.2078 11.5561 9.61462 13.5 numMergedOcc 0
117 mol 171 unq 12 iso 0 dist 7.36698 5.90026 5.25109 4.66982 9.34834 10.0655 15.4802 11.5561 9.61462 19.4298 numMergedOcc 0
118 mol 171 unq 13 iso 0 dist 7.36698 5.90026 5.25109 3.65288 5.74846 4.88147 15.4802 11.5561 9.61462 13.5 numMergedOcc 0
119 mol 181 unq 0 iso 0 dist 6.46704 7.81713 7.32087 6.28125 9.06571 5.3698 8.03334 4.43096 6.2479 10.0802 numMergedOcc 0
120 mol 181 unq 1 iso 0 dist 6.46704 7.81713 7.32087 6.28125 9.06571 5.3698 10.9639 6.06566 6.22122 10.0333 numMergedOcc 0
121 mol 181 unq 2 iso 0 dist 6.46704 7.81713 7.32087 6.28125 9.06571 5.3698 10.7062 12.2164 7.99195 10.9279 numMergedOcc 0
122 mol 181 unq 3 iso 0 dist 6.46704 7.81713 7.32087 6.50233 7.35884 6.39406 8.03334 4.43096 6.2479 9.76212 numMergedOcc 0
123 mol 181 unq 4 iso 0 dist 6.46704 7.81713 7.32087 6.50233 7.35884 6.39406 10.9639 6.06566 6.22122 8.59874 numMergedOcc 0
124 mol 181 unq 5 iso 0 dist 6.46704 7.81713 7.32087 6.50233 7.35884 6.39406 10.7062 12.2164 7.99195 13.2783 numMergedOcc 0
125 mol 181 unq 6 iso 0 dist 6.59025 7.81713 8.86197 6.28125 9.88897 5.3698 8.03334 8.04639 6.2479 10.0802 numMergedOcc 0
126 mol 181 unq 7 iso 0 dist 6.59025 7.81713 8.86197 6.28125 9.88897 5.3698 10.9639 13.0409 6.22122 10.0333 numMergedOcc 0
127 mol 181 unq 8 iso 0 dist 6.59025 7.81713 8.86197 6.28125 9.88897 5.3698 10.7062 5.77299 7.99195 10.9279 numMergedOcc 0
128 mol 181 unq 9 iso 0 dist 5.9176 6.29863 7.22883 10.6474 8.12266 14.2282 15.333 12.7358 9.72611 18.76 numMergedOcc 0
129 mol 181 unq 10 iso 0 dist 5.9176 6.29863 7.22883 5.12833 9.43306 10.273 15.333 12.7358 9.72611 18.6809 numMergedOcc 0
130 mol 181 unq 11 iso 0 dist 5.9176 6.29863 7.22883 4.61184 8.59681 5.14966 15.333 12.7358 9.72611 13.7845 numMergedOcc 0
131 mol 232 unq 0 iso 0 dist 8.50102 12.3508 9.8664 9.74344 9.9183 11.2243 10.5803 4.9377 9.05071 6.71524 numMergedOcc 0
132 mol 232 unq 1 iso 0 dist 9.40808 8.80479 9.8664 5.10213 9.9183 11.2243 8.27212 4.9377 9.05071 6.71524 numMergedOcc 0
133 mol 232 unq 2 iso 0 dist 9.05071 4.9377 9.8664 5.42461 6.59036 4.68548 10.5803 12.3508 8.50102 11.4909 numMergedOcc 0
134 mol 232 unq 3 iso 0 dist 9.05071 4.9377 9.8664 5.42461 6.59036 4.68548 8.27212 8.80479 9.40808 10.3021 numMergedOcc 0
135 mol 273 unq 0 iso 0 dist 8.83865 12.0136 7.16346 4.24707 7.85836 8.43367 13.3579 4.60101 8.49177 12.205 numMergedOcc 0
136 mol 273 unq 1 iso 0 dist 8.83865 12.0136 7.16346 8.56043 6.35532 3.78984 13.3579 4.60101 8.49177 9.59325 numMergedOcc 0
137 mol 273 unq 2 iso 0 dist 9.18157 12.1851 7.16346 6.65672 7.85836 8.43367 13.4294 4.60101 8.49177 12.205 numMergedOcc 0
138 mol 273 unq 3 iso 0 dist 9.18157 12.1851 7.16346 8.81454 6.35532 3.78984 13.4294 4.60101 8.49177 9.59325 numMergedOcc 0
139 mol 274 unq 0 iso 0 dist 8.52587 6.20558 6.88827 16.9539 8.60027 13.3632 7.56915 5.29529 9.85289 12.8334 numMergedOcc 0
140 mol 274 unq 1 iso 0 dist 6.39866 6.16703 6.88827 8.87855 8.60027 13.3632 11.3168 5.29529 9.85289 12.8334 numMergedOcc 0
