0 mol 15 unq 0 iso 0 dist 5.89412 11.0528 7.07399 9.75966 6.03257 4.39605 6.91314 6.23015 5.49251 5.20798 numMergedOcc 0
1 mol 15 unq 0 iso 1 dist 7.07399 11.0528 5.89412 4.39605 6.03257 9.75966 5.49251 6.23015 6.91314 5.20798 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 8.40416 7.67038 7.75618 4.64838 9.95212 4.97119 10.4416 8.54034 8.7083 9.79414 numMergedOcc 0
3 mol 19 unq 0 iso 1 dist 7.75618 7.67038 8.40416 4.97119 9.95212 4.64838 8.7083 8.54034 10.4416 9.79414 numMergedOcc 0
4 mol 20 unq 0 iso 0 dist 7.51452 16.5895 9.20198 10.0815 5.86181 8.96335 16.3456 9.07213 4.18921 10.2902 numMergedOcc 0
5 mol 20 unq 0 iso 1 dist 9.20198 16.5895 7.51452 8.96335 5.86181 10.0815 4.18921 9.07213 16.3456 10.2902 numMergedOcc 0
6 mol 20 unq 1 iso 0 dist 7.51452 16.5895 9.20198 13.457 6.3253 6.05944 16.3456 9.07213 4.18921 5.22924 numMergedOcc 0
7 mol 20 unq 1 iso 1 dist 9.20198 16.5895 7.51452 6.05944 6.3253 13.457 4.18921 9.07213 16.3456 5.22924 numMergedOcc 0
8 mol 20 unq 2 iso 0 dist 7.51452 16.5895 9.20198 11.3821 5.80568 7.46656 16.3456 9.07213 4.18921 9.92781 numMergedOcc 0
9 mol 20 unq 2 iso 1 dist 9.20198 16.5895 7.51452 7.46656 5.80568 11.3821 4.18921 9.07213 16.3456 9.92781 numMergedOcc 0
10 mol 24 unq 0 iso 0 dist 9.41441 11.4989 6.73939 4.32034 8.00171 11.9112 9.88364 9.85784 15.4313 5.70626 numMergedOcc 0
11 mol 24 unq 0 iso 1 dist 6.73939 11.4989 9.41441 11.9112 8.00171 4.32034 15.4313 9.85784 9.88364 5.70626 numMergedOcc 0
12 mol 24 unq 1 iso 0 dist 9.41441 11.4989 6.73939 4.32034 8.00171 11.9112 9.78753 9.87996 14.1829 5.62738 numMergedOcc 0
13 mol 24 unq 1 iso 1 dist 6.73939 11.4989 9.41441 11.9112 8.00171 4.32034 14.1829 9.87996 9.78753 5.62738 numMergedOcc 0
14 mol 24 unq 2 iso 0 dist 9.41441 11.4989 6.73939 12.2662 5.95834 6.56748 9.88364 9.85784 15.4313 11.6859 numMergedOcc 0
15 mol 24 unq 2 iso 1 dist 6.73939 11.4989 9.41441 6.56748 5.95834 12.2662 15.4313 9.85784 9.88364 11.6859 numMergedOcc 0
16 mol 24 unq 3 iso 0 dist 9.41441 11.4989 6.73939 12.2662 5.95834 6.56748 9.78753 9.87996 14.1829 9.80106 numMergedOcc 0
17 mol 24 unq 3 iso 1 dist 6.73939 11.4989 9.41441 6.56748 5.95834 12.2662 14.1829 9.87996 9.78753 9.80106 numMergedOcc 0
18 mol 24 unq 4 iso 0 dist 9.41441 11.4989 6.73939 8.67951 4.2121 4.50066 9.88364 9.85784 15.4313 11.076 numMergedOcc 0
19 mol 24 unq 4 iso 1 dist 6.73939 11.4989 9.41441 4.50066 4.2121 8.67951 15.4313 9.85784 9.88364 11.076 numMergedOcc 0
20 mol 24 unq 5 iso 0 dist 9.41441 11.4989 6.73939 8.67951 4.2121 4.50066 9.78753 9.87996 14.1829 9.68535 numMergedOcc 0
21 mol 24 unq 5 iso 1 dist 6.73939 11.4989 9.41441 4.50066 4.2121 8.67951 14.1829 9.87996 9.78753 9.68535 numMergedOcc 0
22 mol 24 unq 6 iso 0 dist 9.41441 11.4989 6.73939 8.52463 6.72323 5.11617 9.88364 9.85784 15.4313 14.6305 numMergedOcc 0
23 mol 24 unq 6 iso 1 dist 6.73939 11.4989 9.41441 5.11617 6.72323 8.52463 15.4313 9.85784 9.88364 14.6305 numMergedOcc 0
24 mol 24 unq 7 iso 0 dist 9.41441 11.4989 6.73939 8.52463 6.72323 5.11617 9.78753 9.87996 14.1829 14.3224 numMergedOcc 0
25 mol 24 unq 7 iso 1 dist 6.73939 11.4989 9.41441 5.11617 6.72323 8.52463 14.1829 9.87996 9.78753 14.3224 numMergedOcc 0
26 mol 24 unq 8 iso 0 dist 8.4051 15.5315 7.29868 12.176 6.72323 6.66749 10.1698 6.61696 8.91183 4.08755 numMergedOcc 0
27 mol 24 unq 8 iso 1 dist 7.29868 15.5315 8.4051 6.66749 6.72323 12.176 8.91183 6.61696 10.1698 4.08755 numMergedOcc 0
28 mol 24 unq 9 iso 0 dist 8.4051 15.5315 7.29868 12.176 6.72323 6.66749 13.6174 5.80953 5.69214 10.0453 numMergedOcc 0
29 mol 24 unq 9 iso 1 dist 7.29868 15.5315 8.4051 6.66749 6.72323 12.176 5.69214 5.80953 13.6174 10.0453 numMergedOcc 0
30 mol 24 unq 10 iso 0 dist 8.4051 14.6259 8.60554 12.176 6.72323 14.012 10.1698 6.61696 14.8647 4.08755 numMergedOcc 0
31 mol 24 unq 10 iso 1 dist 8.60554 14.6259 8.4051 14.012 6.72323 12.176 14.8647 6.61696 10.1698 4.08755 numMergedOcc 0
32 mol 24 unq 11 iso 0 dist 8.4051 14.6259 8.60554 12.176 6.72323 14.012 13.6174 5.80953 5.11636 10.0453 numMergedOcc 0
33 mol 24 unq 11 iso 1 dist 8.60554 14.6259 8.4051 14.012 6.72323 12.176 5.11636 5.80953 13.6174 10.0453 numMergedOcc 0
34 mol 24 unq 10 iso 0 dist 7.29868 10.0952 8.60554 6.66749 6.72323 14.012 8.91183 6.61696 14.8647 4.08755 numMergedOcc 0
35 mol 24 unq 10 iso 1 dist 8.60554 10.0952 7.29868 14.012 6.72323 6.66749 14.8647 6.61696 8.91183 4.08755 numMergedOcc 0
36 mol 24 unq 11 iso 0 dist 7.29868 10.0952 8.60554 6.66749 6.72323 14.012 5.69214 5.80953 5.11636 10.0453 numMergedOcc 0
37 mol 24 unq 11 iso 1 dist 8.60554 10.0952 7.29868 14.012 6.72323 6.66749 5.11636 5.80953 5.69214 10.0453 numMergedOcc 0
38 mol 25 unq 0 iso 0 dist 8.87757 15.5644 8.50222 7.33728 6.25843 9.34396 4.69295 9.16515 13.2447 4.98822 numMergedOcc 0
39 mol 25 unq 0 iso 1 dist 8.50222 15.5644 8.87757 9.34396 6.25843 7.33728 13.2447 9.16515 4.69295 4.98822 numMergedOcc 0
40 mol 25 unq 1 iso 0 dist 8.87757 15.5644 8.50222 7.33728 6.25843 9.34396 8.79309 9.82987 11.8139 7.91914 numMergedOcc 0
41 mol 25 unq 1 iso 1 dist 8.50222 15.5644 8.87757 9.34396 6.25843 7.33728 11.8139 9.82987 8.79309 7.91914 numMergedOcc 0
42 mol 25 unq 2 iso 0 dist 8.87757 15.5644 8.50222 7.33728 6.25843 9.34396 14.9206 9.40732 6.28979 10.9145 numMergedOcc 0
43 mol 25 unq 2 iso 1 dist 8.50222 15.5644 8.87757 9.34396 6.25843 7.33728 6.28979 9.40732 14.9206 10.9145 numMergedOcc 0
44 mol 25 unq 3 iso 0 dist 8.87757 15.5644 8.50222 7.33728 6.25843 9.34396 13.6145 6.53269 5.18617 9.62058 numMergedOcc 0
45 mol 25 unq 3 iso 1 dist 8.50222 15.5644 8.87757 9.34396 6.25843 7.33728 5.18617 6.53269 13.6145 9.62058 numMergedOcc 0
46 mol 25 unq 4 iso 0 dist 8.87757 15.5644 8.50222 13.9331 8.88938 10.5328 4.69295 9.16515 13.2447 13.4321 numMergedOcc 0
47 mol 25 unq 4 iso 1 dist 8.50222 15.5644 8.87757 10.5328 8.88938 13.9331 13.2447 9.16515 4.69295 13.4321 numMergedOcc 0
48 mol 25 unq 5 iso 0 dist 8.87757 15.5644 8.50222 13.9331 8.88938 10.5328 8.79309 9.82987 11.8139 9.66912 numMergedOcc 0
49 mol 25 unq 5 iso 1 dist 8.50222 15.5644 8.87757 10.5328 8.88938 13.9331 11.8139 9.82987 8.79309 9.66912 numMergedOcc 0
50 mol 25 unq 6 iso 0 dist 8.87757 15.5644 8.50222 13.9331 8.88938 10.5328 14.9206 9.40732 6.28979 5.86134 numMergedOcc 0
51 mol 25 unq 6 iso 1 dist 8.50222 15.5644 8.87757 10.5328 8.88938 13.9331 6.28979 9.40732 14.9206 5.86134 numMergedOcc 0
52 mol 25 unq 7 iso 0 dist 8.87757 15.5644 8.50222 13.9331 8.88938 10.5328 13.6145 6.53269 5.18617 5.38592 numMergedOcc 0
53 mol 25 unq 7 iso 1 dist 8.50222 15.5644 8.87757 10.5328 8.88938 13.9331 5.18617 6.53269 13.6145 5.38592 numMergedOcc 0
54 mol 25 unq 8 iso 0 dist 8.87757 16.1048 7.55264 7.33728 6.25843 10.8498 4.69295 9.16515 14.9982 4.98822 numMergedOcc 0
55 mol 25 unq 8 iso 1 dist 7.55264 16.1048 8.87757 10.8498 6.25843 7.33728 14.9982 9.16515 4.69295 4.98822 numMergedOcc 0
56 mol 25 unq 9 iso 0 dist 8.87757 16.1048 7.55264 7.33728 6.25843 10.8498 8.79309 9.82987 14.1251 7.91914 numMergedOcc 0
57 mol 25 unq 9 iso 1 dist 7.55264 16.1048 8.87757 10.8498 6.25843 7.33728 14.1251 9.82987 8.79309 7.91914 numMergedOcc 0
58 mol 25 unq 10 iso 0 dist 8.87757 16.1048 7.55264 7.33728 6.25843 10.8498 14.9206 9.40732 8.41421 10.9145 numMergedOcc 0
59 mol 25 unq 10 iso 1 dist 7.55264 16.1048 8.87757 10.8498 6.25843 7.33728 8.41421 9.40732 14.9206 10.9145 numMergedOcc 0
60 mol 25 unq 11 iso 0 dist 8.87757 16.1048 7.55264 7.33728 6.25843 10.8498 13.6145 6.53269 5.68041 9.62058 numMergedOcc 0
61 mol 25 unq 11 iso 1 dist 7.55264 16.1048 8.87757 10.8498 6.25843 7.33728 5.68041 6.53269 13.6145 9.62058 numMergedOcc 0
62 mol 25 unq 12 iso 0 dist 8.87757 16.1048 7.55264 13.9331 8.88938 10.4337 4.69295 9.16515 14.9982 13.4321 numMergedOcc 0
63 mol 25 unq 12 iso 1 dist 7.55264 16.1048 8.87757 10.4337 8.88938 13.9331 14.9982 9.16515 4.69295 13.4321 numMergedOcc 0
64 mol 25 unq 13 iso 0 dist 8.87757 16.1048 7.55264 13.9331 8.88938 10.4337 8.79309 9.82987 14.1251 9.66912 numMergedOcc 0
65 mol 25 unq 13 iso 1 dist 7.55264 16.1048 8.87757 10.4337 8.88938 13.9331 14.1251 9.82987 8.79309 9.66912 numMergedOcc 0
66 mol 25 unq 14 iso 0 dist 8.87757 16.1048 7.55264 13.9331 8.88938 10.4337 14.9206 9.40732 8.41421 5.86134 numMergedOcc 0
67 mol 25 unq 14 iso 1 dist 7.55264 16.1048 8.87757 10.4337 8.88938 13.9331 8.41421 9.40732 14.9206 5.86134 numMergedOcc 0
68 mol 25 unq 15 iso 0 dist 8.87757 16.1048 7.55264 13.9331 8.88938 10.4337 13.6145 6.53269 5.68041 5.38592 numMergedOcc 0
69 mol 25 unq 15 iso 1 dist 7.55264 16.1048 8.87757 10.4337 8.88938 13.9331 5.68041 6.53269 13.6145 5.38592 numMergedOcc 0
70 mol 25 unq 16 iso 0 dist 6.16347 10.9391 7.45383 6.08585 6.25843 5.77929 5.63212 5.20109 6.47509 3.904 numMergedOcc 0
71 mol 25 unq 16 iso 1 dist 7.45383 10.9391 6.16347 5.77929 6.25843 6.08585 6.47509 5.20109 5.63212 3.904 numMergedOcc 0
72 mol 25 unq 8 iso 0 dist 8.50222 4.33106 7.55264 9.34396 6.25843 10.8498 13.2447 9.16515 14.9982 4.98822 numMergedOcc 0
73 mol 25 unq 8 iso 1 dist 7.55264 4.33106 8.50222 10.8498 6.25843 9.34396 14.9982 9.16515 13.2447 4.98822 numMergedOcc 0
74 mol 25 unq 9 iso 0 dist 8.50222 4.33106 7.55264 9.34396 6.25843 10.8498 11.8139 9.82987 14.1251 7.91914 numMergedOcc 0
75 mol 25 unq 9 iso 1 dist 7.55264 4.33106 8.50222 10.8498 6.25843 9.34396 14.1251 9.82987 11.8139 7.91914 numMergedOcc 0
76 mol 25 unq 10 iso 0 dist 8.50222 4.33106 7.55264 9.34396 6.25843 10.8498 6.28979 9.40732 8.41421 10.9145 numMergedOcc 0
77 mol 25 unq 10 iso 1 dist 7.55264 4.33106 8.50222 10.8498 6.25843 9.34396 8.41421 9.40732 6.28979 10.9145 numMergedOcc 0
78 mol 25 unq 11 iso 0 dist 8.50222 4.33106 7.55264 9.34396 6.25843 10.8498 5.18617 6.53269 5.68041 9.62058 numMergedOcc 0
79 mol 25 unq 11 iso 1 dist 7.55264 4.33106 8.50222 10.8498 6.25843 9.34396 5.68041 6.53269 5.18617 9.62058 numMergedOcc 0
80 mol 25 unq 12 iso 0 dist 8.50222 4.33106 7.55264 10.5328 8.88938 10.4337 13.2447 9.16515 14.9982 13.4321 numMergedOcc 0
81 mol 25 unq 12 iso 1 dist 7.55264 4.33106 8.50222 10.4337 8.88938 10.5328 14.9982 9.16515 13.2447 13.4321 numMergedOcc 0
82 mol 25 unq 13 iso 0 dist 8.50222 4.33106 7.55264 10.5328 8.88938 10.4337 11.8139 9.82987 14.1251 9.66912 numMergedOcc 0
83 mol 25 unq 13 iso 1 dist 7.55264 4.33106 8.50222 10.4337 8.88938 10.5328 14.1251 9.82987 11.8139 9.66912 numMergedOcc 0
84 mol 25 unq 14 iso 0 dist 8.50222 4.33106 7.55264 10.5328 8.88938 10.4337 6.28979 9.40732 8.41421 5.86134 numMergedOcc 0
85 mol 25 unq 14 iso 1 dist 7.55264 4.33106 8.50222 10.4337 8.88938 10.5328 8.41421 9.40732 6.28979 5.86134 numMergedOcc 0
86 mol 25 unq 15 iso 0 dist 8.50222 4.33106 7.55264 10.5328 8.88938 10.4337 5.18617 6.53269 5.68041 5.38592 numMergedOcc 0
87 mol 25 unq 15 iso 1 dist 7.55264 4.33106 8.50222 10.4337 8.88938 10.5328 5.68041 6.53269 5.18617 5.38592 numMergedOcc 0
88 mol 26 unq 0 iso 0 dist 6.46104 7.96502 7.36856 7.23703 6.93197 5.81765 5.56139 6.07276 7.73394 10.1622 numMergedOcc 0
89 mol 26 unq 0 iso 1 dist 7.36856 7.96502 6.46104 5.81765 6.93197 7.23703 7.73394 6.07276 5.56139 10.1622 numMergedOcc 0
90 mol 100 unq 0 iso 0 dist 7.01812 5.88134 8.30845 10.6848 9.5057 15.3454 4.03277 6.59691 6.23008 12.48 numMergedOcc 0
91 mol 100 unq 0 iso 1 dist 8.30845 5.88134 7.01812 15.3454 9.5057 10.6848 6.23008 6.59691 4.03277 12.48 numMergedOcc 0
92 mol 133 unq 0 iso 0 dist 6.16242 7.81217 5.87634 12.131 8.95662 14.8102 13.0405 8.83732 13.7612 6.24625 numMergedOcc 0
93 mol 133 unq 0 iso 1 dist 5.87634 7.81217 6.16242 14.8102 8.95662 12.131 13.7612 8.83732 13.0405 6.24625 numMergedOcc 0
94 mol 134 unq 0 iso 0 dist 7.69991 5.00526 6.23142 7.41674 6.40575 9.87376 12.847 9.0176 8.06642 15.0575 numMergedOcc 0
95 mol 134 unq 0 iso 1 dist 6.23142 5.00526 7.69991 9.87376 6.40575 7.41674 8.06642 9.0176 12.847 15.0575 numMergedOcc 0
96 mol 134 unq 1 iso 0 dist 7.69991 11.3271 9.94764 7.41674 6.40575 14.9876 12.847 9.0176 4.00092 15.0575 numMergedOcc 0
97 mol 134 unq 1 iso 1 dist 9.94764 11.3271 7.69991 14.9876 6.40575 7.41674 4.00092 9.0176 12.847 15.0575 numMergedOcc 0
98 mol 134 unq 1 iso 0 dist 6.23142 6.81259 9.94764 9.87376 6.40575 14.9876 8.06642 9.0176 4.00092 15.0575 numMergedOcc 0
99 mol 134 unq 1 iso 1 dist 9.94764 6.81259 6.23142 14.9876 6.40575 9.87376 4.00092 9.0176 8.06642 15.0575 numMergedOcc 0
100 mol 141 unq 0 iso 0 dist 9.97343 11.4307 9.70413 9.74444 9.10042 10.3716 13.4066 6.65731 8.54432 14.0725 numMergedOcc 0
101 mol 141 unq 0 iso 1 dist 9.70413 11.4307 9.97343 10.3716 9.10042 9.74444 8.54432 6.65731 13.4066 14.0725 numMergedOcc 0
102 mol 141 unq 1 iso 0 dist 9.97343 11.4307 9.70413 6.91919 9.75059 7.87881 13.4066 6.65731 8.54432 13.1981 numMergedOcc 0
103 mol 141 unq 1 iso 1 dist 9.70413 11.4307 9.97343 7.87881 9.75059 6.91919 8.54432 6.65731 13.4066 13.1981 numMergedOcc 0
104 mol 141 unq 2 iso 0 dist 9.97343 11.4307 9.70413 10.1432 6.83404 7.27731 13.4066 6.65731 8.54432 3.98068 numMergedOcc 0
105 mol 141 unq 2 iso 1 dist 9.70413 11.4307 9.97343 7.27731 6.83404 10.1432 8.54432 6.65731 13.4066 3.98068 numMergedOcc 0
106 mol 171 unq 0 iso 0 dist 6.64834 4.91149 5.93786 6.45673 7.22518 5.48551 8.99935 9.34834 9.35703 14.0016 numMergedOcc 0
107 mol 171 unq 0 iso 1 dist 5.93786 4.91149 6.64834 5.48551 7.22518 6.45673 9.35703 9.34834 8.99935 14.0016 numMergedOcc 0
108 mol 171 unq 1 iso 0 dist 6.64834 4.91149 5.93786 6.45673 7.22518 5.48551 7.15048 5.74846 9.14311 11.4302 numMergedOcc 0
109 mol 171 unq 1 iso 1 dist 5.93786 4.91149 6.64834 5.48551 7.22518 6.45673 9.14311 5.74846 7.15048 11.4302 numMergedOcc 0
110 mol 171 unq 2 iso 0 dist 6.64834 4.91149 5.93786 4.78075 5.25109 7.9651 8.99935 9.34834 9.35703 10.0655 numMergedOcc 0
111 mol 171 unq 2 iso 1 dist 5.93786 4.91149 6.64834 7.9651 5.25109 4.78075 9.35703 9.34834 8.99935 10.0655 numMergedOcc 0
112 mol 171 unq 3 iso 0 dist 6.64834 4.91149 5.93786 4.78075 5.25109 7.9651 7.15048 5.74846 9.14311 4.88147 numMergedOcc 0
113 mol 171 unq 3 iso 1 dist 5.93786 4.91149 6.64834 7.9651 5.25109 4.78075 9.14311 5.74846 7.15048 4.88147 numMergedOcc 0
114 mol 171 unq 4 iso 0 dist 6.64834 11.6409 8.24693 6.45673 7.22518 8.05069 8.99935 9.34834 14.4375 14.0016 numMergedOcc 0
115 mol 171 unq 4 iso 1 dist 8.24693 11.6409 6.64834 8.05069 7.22518 6.45673 14.4375 9.34834 8.99935 14.0016 numMergedOcc 0
116 mol 171 unq 5 iso 0 dist 6.64834 11.6409 8.24693 6.45673 7.22518 8.05069 7.15048 5.74846 13.6262 11.4302 numMergedOcc 0
117 mol 171 unq 5 iso 1 dist 8.24693 11.6409 6.64834 8.05069 7.22518 6.45673 13.6262 5.74846 7.15048 11.4302 numMergedOcc 0
118 mol 171 unq 6 iso 0 dist 6.64834 11.6409 8.24693 4.78075 5.25109 12.6853 8.99935 9.34834 14.4375 10.0655 numMergedOcc 0
119 mol 171 unq 6 iso 1 dist 8.24693 11.6409 6.64834 12.6853 5.25109 4.78075 14.4375 9.34834 8.99935 10.0655 numMergedOcc 0
120 mol 171 unq 7 iso 0 dist 6.64834 11.6409 8.24693 4.78075 5.25109 12.6853 7.15048 5.74846 13.6262 4.88147 numMergedOcc 0
121 mol 171 unq 7 iso 1 dist 8.24693 11.6409 6.64834 12.6853 5.25109 4.78075 13.6262 5.74846 7.15048 4.88147 numMergedOcc 0
122 mol 171 unq 8 iso 0 dist 6.64834 5.51687 7.36698 6.45673 7.22518 11.2785 8.99935 9.34834 4.66982 14.0016 numMergedOcc 0
123 mol 171 unq 8 iso 1 dist 7.36698 5.51687 6.64834 11.2785 7.22518 6.45673 4.66982 9.34834 8.99935 14.0016 numMergedOcc 0
124 mol 171 unq 9 iso 0 dist 6.64834 5.51687 7.36698 6.45673 7.22518 11.2785 7.15048 5.74846 3.65288 11.4302 numMergedOcc 0
125 mol 171 unq 9 iso 1 dist 7.36698 5.51687 6.64834 11.2785 7.22518 6.45673 3.65288 5.74846 7.15048 11.4302 numMergedOcc 0
126 mol 171 unq 10 iso 0 dist 6.64834 5.51687 7.36698 4.78075 5.25109 5.90026 8.99935 9.34834 4.66982 10.0655 numMergedOcc 0
127 mol 171 unq 10 iso 1 dist 7.36698 5.51687 6.64834 5.90026 5.25109 4.78075 4.66982 9.34834 8.99935 10.0655 numMergedOcc 0
128 mol 171 unq 11 iso 0 dist 6.64834 5.51687 7.36698 4.78075 5.25109 5.90026 7.15048 5.74846 3.65288 4.88147 numMergedOcc 0
129 mol 171 unq 11 iso 1 dist 7.36698 5.51687 6.64834 5.90026 5.25109 4.78075 3.65288 5.74846 7.15048 4.88147 numMergedOcc 0
130 mol 171 unq 4 iso 0 dist 5.93786 7.31409 8.24693 5.48551 7.22518 8.05069 9.35703 9.34834 14.4375 14.0016 numMergedOcc 0
131 mol 171 unq 4 iso 1 dist 8.24693 7.31409 5.93786 8.05069 7.22518 5.48551 14.4375 9.34834 9.35703 14.0016 numMergedOcc 0
132 mol 171 unq 5 iso 0 dist 5.93786 7.31409 8.24693 5.48551 7.22518 8.05069 9.14311 5.74846 13.6262 11.4302 numMergedOcc 0
133 mol 171 unq 5 iso 1 dist 8.24693 7.31409 5.93786 8.05069 7.22518 5.48551 13.6262 5.74846 9.14311 11.4302 numMergedOcc 0
134 mol 171 unq 6 iso 0 dist 5.93786 7.31409 8.24693 7.9651 5.25109 12.6853 9.35703 9.34834 14.4375 10.0655 numMergedOcc 0
135 mol 171 unq 6 iso 1 dist 8.24693 7.31409 5.93786 12.6853 5.25109 7.9651 14.4375 9.34834 9.35703 10.0655 numMergedOcc 0
136 mol 171 unq 7 iso 0 dist 5.93786 7.31409 8.24693 7.9651 5.25109 12.6853 9.14311 5.74846 13.6262 4.88147 numMergedOcc 0
137 mol 171 unq 7 iso 1 dist 8.24693 7.31409 5.93786 12.6853 5.25109 7.9651 13.6262 5.74846 9.14311 4.88147 numMergedOcc 0
138 mol 171 unq 8 iso 0 dist 5.93786 8.07119 7.36698 5.48551 7.22518 11.2785 9.35703 9.34834 4.66982 14.0016 numMergedOcc 0
139 mol 171 unq 8 iso 1 dist 7.36698 8.07119 5.93786 11.2785 7.22518 5.48551 4.66982 9.34834 9.35703 14.0016 numMergedOcc 0
140 mol 171 unq 9 iso 0 dist 5.93786 8.07119 7.36698 5.48551 7.22518 11.2785 9.14311 5.74846 3.65288 11.4302 numMergedOcc 0
141 mol 171 unq 9 iso 1 dist 7.36698 8.07119 5.93786 11.2785 7.22518 5.48551 3.65288 5.74846 9.14311 11.4302 numMergedOcc 0
142 mol 171 unq 10 iso 0 dist 5.93786 8.07119 7.36698 7.9651 5.25109 5.90026 9.35703 9.34834 4.66982 10.0655 numMergedOcc 0
143 mol 171 unq 10 iso 1 dist 7.36698 8.07119 5.93786 5.90026 5.25109 7.9651 4.66982 9.34834 9.35703 10.0655 numMergedOcc 0
144 mol 171 unq 11 iso 0 dist 5.93786 8.07119 7.36698 7.9651 5.25109 5.90026 9.14311 5.74846 3.65288 4.88147 numMergedOcc 0
145 mol 171 unq 11 iso 1 dist 7.36698 8.07119 5.93786 5.90026 5.25109 7.9651 3.65288 5.74846 9.14311 4.88147 numMergedOcc 0
146 mol 171 unq 8 iso 0 dist 8.24693 14.1033 7.36698 8.05069 7.22518 11.2785 14.4375 9.34834 4.66982 14.0016 numMergedOcc 0
147 mol 171 unq 8 iso 1 dist 7.36698 14.1033 8.24693 11.2785 7.22518 8.05069 4.66982 9.34834 14.4375 14.0016 numMergedOcc 0
148 mol 171 unq 9 iso 0 dist 8.24693 14.1033 7.36698 8.05069 7.22518 11.2785 13.6262 5.74846 3.65288 11.4302 numMergedOcc 0
149 mol 171 unq 9 iso 1 dist 7.36698 14.1033 8.24693 11.2785 7.22518 8.05069 3.65288 5.74846 13.6262 11.4302 numMergedOcc 0
150 mol 171 unq 10 iso 0 dist 8.24693 14.1033 7.36698 12.6853 5.25109 5.90026 14.4375 9.34834 4.66982 10.0655 numMergedOcc 0
151 mol 171 unq 10 iso 1 dist 7.36698 14.1033 8.24693 5.90026 5.25109 12.6853 4.66982 9.34834 14.4375 10.0655 numMergedOcc 0
152 mol 171 unq 11 iso 0 dist 8.24693 14.1033 7.36698 12.6853 5.25109 5.90026 13.6262 5.74846 3.65288 4.88147 numMergedOcc 0
153 mol 171 unq 11 iso 1 dist 7.36698 14.1033 8.24693 5.90026 5.25109 12.6853 3.65288 5.74846 13.6262 4.88147 numMergedOcc 0
154 mol 232 unq 0 iso 0 dist 8.50102 6.56633 9.40808 6.2188 9.78181 12.5452 9.74344 9.9183 5.10213 14.876 numMergedOcc 0
155 mol 232 unq 0 iso 1 dist 9.40808 6.56633 8.50102 12.5452 9.78181 6.2188 5.10213 9.9183 9.74344 14.876 numMergedOcc 0
156 mol 232 unq 1 iso 0 dist 8.50102 6.56633 9.40808 12.3508 9.8664 8.80479 9.74344 9.9183 5.10213 11.2243 numMergedOcc 0
157 mol 232 unq 1 iso 1 dist 9.40808 6.56633 8.50102 8.80479 9.8664 12.3508 5.10213 9.9183 9.74344 11.2243 numMergedOcc 0
158 mol 235 unq 0 iso 0 dist 6.36341 8.31875 6.21292 5.5163 6.94789 7.77516 13.089 7.39085 10.5354 14.2323 numMergedOcc 0
159 mol 235 unq 0 iso 1 dist 6.21292 8.31875 6.36341 7.77516 6.94789 5.5163 10.5354 7.39085 13.089 14.2323 numMergedOcc 0
160 mol 235 unq 1 iso 0 dist 6.36341 10.5547 9.21736 5.5163 6.94789 11.7254 13.089 7.39085 11.3865 14.2323 numMergedOcc 0
161 mol 235 unq 1 iso 1 dist 9.21736 10.5547 6.36341 11.7254 6.94789 5.5163 11.3865 7.39085 13.089 14.2323 numMergedOcc 0
162 mol 235 unq 1 iso 0 dist 6.21292 4.53064 9.21736 7.77516 6.94789 11.7254 10.5354 7.39085 11.3865 14.2323 numMergedOcc 0
163 mol 235 unq 1 iso 1 dist 9.21736 4.53064 6.21292 11.7254 6.94789 7.77516 11.3865 7.39085 10.5354 14.2323 numMergedOcc 0
164 mol 273 unq 0 iso 0 dist 8.83865 5.96724 9.18157 12.0136 7.16346 12.1851 4.24707 7.85836 6.65672 8.43367 numMergedOcc 0
165 mol 273 unq 0 iso 1 dist 9.18157 5.96724 8.83865 12.1851 7.16346 12.0136 6.65672 7.85836 4.24707 8.43367 numMergedOcc 0
166 mol 273 unq 1 iso 0 dist 8.83865 5.96724 9.18157 12.0136 7.16346 12.1851 8.56043 6.35532 8.81454 3.78984 numMergedOcc 0
167 mol 273 unq 1 iso 1 dist 9.18157 5.96724 8.83865 12.1851 7.16346 12.0136 8.81454 6.35532 8.56043 3.78984 numMergedOcc 0
168 mol 274 unq 0 iso 0 dist 7.46394 10.501 9.45514 11.1602 7.75216 6.52035 5.22914 7.77765 12.393 13.9324 numMergedOcc 0
169 mol 274 unq 0 iso 1 dist 9.45514 10.501 7.46394 6.52035 7.75216 11.1602 12.393 7.77765 5.22914 13.9324 numMergedOcc 0
170 mol 274 unq 1 iso 0 dist 7.46394 10.501 9.45514 11.1602 7.75216 6.52035 14.7507 9.65868 8.87855 10.7442 numMergedOcc 0
171 mol 274 unq 1 iso 1 dist 9.45514 10.501 7.46394 6.52035 7.75216 11.1602 8.87855 9.65868 14.7507 10.7442 numMergedOcc 0
172 mol 274 unq 2 iso 0 dist 7.46394 14.3919 8.91672 11.1602 7.75216 5.58338 5.22914 7.77765 16.5034 13.9324 numMergedOcc 0
173 mol 274 unq 2 iso 1 dist 8.91672 14.3919 7.46394 5.58338 7.75216 11.1602 16.5034 7.77765 5.22914 13.9324 numMergedOcc 0
174 mol 274 unq 3 iso 0 dist 7.46394 14.3919 8.91672 11.1602 7.75216 5.58338 14.7507 9.65868 12.5615 10.7442 numMergedOcc 0
175 mol 274 unq 3 iso 1 dist 8.91672 14.3919 7.46394 5.58338 7.75216 11.1602 12.5615 9.65868 14.7507 10.7442 numMergedOcc 0
176 mol 274 unq 4 iso 0 dist 7.46394 6.15918 7.1729 11.1602 7.75216 5.71192 5.22914 7.77765 10.2884 13.9324 numMergedOcc 0
177 mol 274 unq 4 iso 1 dist 7.1729 6.15918 7.46394 5.71192 7.75216 11.1602 10.2884 7.77765 5.22914 13.9324 numMergedOcc 0
178 mol 274 unq 5 iso 0 dist 7.46394 6.15918 7.1729 11.1602 7.75216 5.71192 14.7507 9.65868 13.0867 10.7442 numMergedOcc 0
179 mol 274 unq 5 iso 1 dist 7.1729 6.15918 7.46394 5.71192 7.75216 11.1602 13.0867 9.65868 14.7507 10.7442 numMergedOcc 0
180 mol 274 unq 2 iso 0 dist 9.45514 11.7196 8.91672 6.52035 7.75216 5.58338 12.393 7.77765 16.5034 13.9324 numMergedOcc 0
181 mol 274 unq 2 iso 1 dist 8.91672 11.7196 9.45514 5.58338 7.75216 6.52035 16.5034 7.77765 12.393 13.9324 numMergedOcc 0
182 mol 274 unq 3 iso 0 dist 9.45514 11.7196 8.91672 6.52035 7.75216 5.58338 8.87855 9.65868 12.5615 10.7442 numMergedOcc 0
183 mol 274 unq 3 iso 1 dist 8.91672 11.7196 9.45514 5.58338 7.75216 6.52035 12.5615 9.65868 8.87855 10.7442 numMergedOcc 0
184 mol 274 unq 4 iso 0 dist 9.45514 6.828 7.1729 6.52035 7.75216 5.71192 12.393 7.77765 10.2884 13.9324 numMergedOcc 0
185 mol 274 unq 4 iso 1 dist 7.1729 6.828 9.45514 5.71192 7.75216 6.52035 10.2884 7.77765 12.393 13.9324 numMergedOcc 0
186 mol 274 unq 5 iso 0 dist 9.45514 6.828 7.1729 6.52035 7.75216 5.71192 8.87855 9.65868 13.0867 10.7442 numMergedOcc 0
187 mol 274 unq 5 iso 1 dist 7.1729 6.828 9.45514 5.71192 7.75216 6.52035 13.0867 9.65868 8.87855 10.7442 numMergedOcc 0
188 mol 274 unq 4 iso 0 dist 8.91672 10.0083 7.1729 5.58338 7.75216 5.71192 16.5034 7.77765 10.2884 13.9324 numMergedOcc 0
189 mol 274 unq 4 iso 1 dist 7.1729 10.0083 8.91672 5.71192 7.75216 5.58338 10.2884 7.77765 16.5034 13.9324 numMergedOcc 0
190 mol 274 unq 5 iso 0 dist 8.91672 10.0083 7.1729 5.58338 7.75216 5.71192 12.5615 9.65868 13.0867 10.7442 numMergedOcc 0
191 mol 274 unq 5 iso 1 dist 7.1729 10.0083 8.91672 5.71192 7.75216 5.58338 13.0867 9.65868 12.5615 10.7442 numMergedOcc 0
192 mol 274 unq 6 iso 0 dist 8.52587 11.3308 6.39866 6.20558 6.88827 6.16703 16.9539 8.60027 8.87855 13.3632 numMergedOcc 0
193 mol 274 unq 6 iso 1 dist 6.39866 11.3308 8.52587 6.16703 6.88827 6.20558 8.87855 8.60027 16.9539 13.3632 numMergedOcc 0
194 mol 274 unq 7 iso 0 dist 8.52587 11.3308 6.39866 16.3619 9.16942 5.64601 16.9539 8.60027 8.87855 5.39432 numMergedOcc 0
195 mol 274 unq 7 iso 1 dist 6.39866 11.3308 8.52587 5.64601 9.16942 16.3619 8.87855 8.60027 16.9539 5.39432 numMergedOcc 0
