0 mol 20 unq 0 iso 0 dist 6.09764 8.96335 4.74809 4.95725 7.14069 10.5097 5.84217 8.58641 12.7656 3.49913 numMergedOcc 0
1 mol 20 unq 0 iso 1 dist 6.09764 8.96335 4.74809 5.84217 8.58641 12.7656 4.95725 7.14069 10.5097 3.49913 numMergedOcc 0
2 mol 20 unq 1 iso 0 dist 6.09764 8.96335 4.74809 4.95725 7.14069 10.5097 4.18921 5.99466 10.2902 6.04869 numMergedOcc 0
3 mol 20 unq 1 iso 1 dist 6.09764 8.96335 4.74809 4.18921 5.99466 10.2902 4.95725 7.14069 10.5097 6.04869 numMergedOcc 0
4 mol 20 unq 1 iso 0 dist 6.09764 8.96335 4.74809 5.84217 8.58641 12.7656 4.18921 5.99466 10.2902 4.86529 numMergedOcc 0
5 mol 20 unq 1 iso 1 dist 6.09764 8.96335 4.74809 4.18921 5.99466 10.2902 5.84217 8.58641 12.7656 4.86529 numMergedOcc 0
6 mol 20 unq 2 iso 0 dist 6.09764 6.05944 7.43882 4.95725 7.14069 10.3149 5.84217 8.58641 9.84883 3.49913 numMergedOcc 0
7 mol 20 unq 2 iso 1 dist 6.09764 6.05944 7.43882 5.84217 8.58641 9.84883 4.95725 7.14069 10.3149 3.49913 numMergedOcc 0
8 mol 20 unq 3 iso 0 dist 6.09764 6.05944 7.43882 4.95725 7.14069 10.3149 4.18921 5.99466 5.22924 6.04869 numMergedOcc 0
9 mol 20 unq 3 iso 1 dist 6.09764 6.05944 7.43882 4.18921 5.99466 5.22924 4.95725 7.14069 10.3149 6.04869 numMergedOcc 0
10 mol 20 unq 3 iso 0 dist 6.09764 6.05944 7.43882 5.84217 8.58641 9.84883 4.18921 5.99466 5.22924 4.86529 numMergedOcc 0
11 mol 20 unq 3 iso 1 dist 6.09764 6.05944 7.43882 4.18921 5.99466 5.22924 5.84217 8.58641 9.84883 4.86529 numMergedOcc 0
12 mol 20 unq 4 iso 0 dist 6.09764 7.46656 7.31198 4.95725 7.14069 11.2406 5.84217 8.58641 13.0235 3.49913 numMergedOcc 0
13 mol 20 unq 4 iso 1 dist 6.09764 7.46656 7.31198 5.84217 8.58641 13.0235 4.95725 7.14069 11.2406 3.49913 numMergedOcc 0
14 mol 20 unq 5 iso 0 dist 6.09764 7.46656 7.31198 4.95725 7.14069 11.2406 4.18921 5.99466 9.92781 6.04869 numMergedOcc 0
15 mol 20 unq 5 iso 1 dist 6.09764 7.46656 7.31198 4.18921 5.99466 9.92781 4.95725 7.14069 11.2406 6.04869 numMergedOcc 0
16 mol 20 unq 5 iso 0 dist 6.09764 7.46656 7.31198 5.84217 8.58641 13.0235 4.18921 5.99466 9.92781 4.86529 numMergedOcc 0
17 mol 20 unq 5 iso 1 dist 6.09764 7.46656 7.31198 4.18921 5.99466 9.92781 5.84217 8.58641 13.0235 4.86529 numMergedOcc 0
18 mol 24 unq 0 iso 0 dist 9.41441 4.32034 8.00171 9.88364 9.85784 5.70626 9.78753 9.87996 5.62738 3.75822 numMergedOcc 0
19 mol 24 unq 0 iso 1 dist 9.41441 4.32034 8.00171 9.78753 9.87996 5.62738 9.88364 9.85784 5.70626 3.75822 numMergedOcc 0
20 mol 24 unq 1 iso 0 dist 9.41441 12.2662 5.95834 9.88364 9.85784 11.6859 9.78753 9.87996 9.80106 3.75822 numMergedOcc 0
21 mol 24 unq 1 iso 1 dist 9.41441 12.2662 5.95834 9.78753 9.87996 9.80106 9.88364 9.85784 11.6859 3.75822 numMergedOcc 0
22 mol 24 unq 2 iso 0 dist 9.41441 8.67951 4.2121 9.88364 9.85784 11.076 9.78753 9.87996 9.68535 3.75822 numMergedOcc 0
23 mol 24 unq 2 iso 1 dist 9.41441 8.67951 4.2121 9.78753 9.87996 9.68535 9.88364 9.85784 11.076 3.75822 numMergedOcc 0
24 mol 24 unq 3 iso 0 dist 9.41441 8.52463 6.72323 9.88364 9.85784 14.6305 9.78753 9.87996 14.3224 3.75822 numMergedOcc 0
25 mol 24 unq 3 iso 1 dist 9.41441 8.52463 6.72323 9.78753 9.87996 14.3224 9.88364 9.85784 14.6305 3.75822 numMergedOcc 0
26 mol 24 unq 4 iso 0 dist 9.01567 6.66749 4.2121 8.91183 6.19899 4.08755 13.0212 8.49709 6.86136 7.46758 numMergedOcc 0
27 mol 24 unq 4 iso 1 dist 9.01567 6.66749 4.2121 13.0212 8.49709 6.86136 8.91183 6.19899 4.08755 7.46758 numMergedOcc 0
28 mol 24 unq 5 iso 0 dist 6.73939 6.56748 5.95834 15.4313 9.85784 11.6859 14.1829 9.87996 9.80106 3.75822 numMergedOcc 0
29 mol 24 unq 5 iso 1 dist 6.73939 6.56748 5.95834 14.1829 9.87996 9.80106 15.4313 9.85784 11.6859 3.75822 numMergedOcc 0
30 mol 24 unq 6 iso 0 dist 6.73939 4.50066 4.2121 15.4313 9.85784 11.076 14.1829 9.87996 9.68535 3.75822 numMergedOcc 0
31 mol 24 unq 6 iso 1 dist 6.73939 4.50066 4.2121 14.1829 9.87996 9.68535 15.4313 9.85784 11.076 3.75822 numMergedOcc 0
32 mol 24 unq 7 iso 0 dist 6.73939 11.9112 8.00171 15.4313 9.85784 5.70626 14.1829 9.87996 5.62738 3.75822 numMergedOcc 0
33 mol 24 unq 7 iso 1 dist 6.73939 11.9112 8.00171 14.1829 9.87996 5.62738 15.4313 9.85784 5.70626 3.75822 numMergedOcc 0
34 mol 24 unq 8 iso 0 dist 6.73939 5.11617 6.72323 15.4313 9.85784 14.6305 14.1829 9.87996 14.3224 3.75822 numMergedOcc 0
35 mol 24 unq 8 iso 1 dist 6.73939 5.11617 6.72323 14.1829 9.87996 14.3224 15.4313 9.85784 14.6305 3.75822 numMergedOcc 0
36 mol 24 unq 9 iso 0 dist 8.4051 12.176 6.72323 10.1698 6.61696 4.08755 13.6174 5.80953 10.0453 10.7501 numMergedOcc 0
37 mol 24 unq 9 iso 1 dist 8.4051 12.176 6.72323 13.6174 5.80953 10.0453 10.1698 6.61696 4.08755 10.7501 numMergedOcc 0
38 mol 24 unq 10 iso 0 dist 7.29868 6.66749 6.72323 8.91183 6.61696 4.08755 5.69214 5.80953 10.0453 10.7501 numMergedOcc 0
39 mol 24 unq 10 iso 1 dist 7.29868 6.66749 6.72323 5.69214 5.80953 10.0453 8.91183 6.61696 4.08755 10.7501 numMergedOcc 0
40 mol 24 unq 11 iso 0 dist 8.60554 14.012 6.72323 14.8647 6.61696 4.08755 5.11636 5.80953 10.0453 10.7501 numMergedOcc 0
41 mol 24 unq 11 iso 1 dist 8.60554 14.012 6.72323 5.11636 5.80953 10.0453 14.8647 6.61696 4.08755 10.7501 numMergedOcc 0
42 mol 25 unq 0 iso 0 dist 8.87757 7.33728 6.25843 4.69295 9.16515 4.98822 8.79309 9.82987 7.91914 5.78812 numMergedOcc 0
43 mol 25 unq 0 iso 1 dist 8.87757 7.33728 6.25843 8.79309 9.82987 7.91914 4.69295 9.16515 4.98822 5.78812 numMergedOcc 0
44 mol 25 unq 1 iso 0 dist 8.87757 7.33728 6.25843 4.69295 9.16515 4.98822 14.9206 9.40732 10.9145 12.6527 numMergedOcc 0
45 mol 25 unq 1 iso 1 dist 8.87757 7.33728 6.25843 14.9206 9.40732 10.9145 4.69295 9.16515 4.98822 12.6527 numMergedOcc 0
46 mol 25 unq 2 iso 0 dist 8.87757 7.33728 6.25843 4.69295 9.16515 4.98822 13.6145 6.53269 9.62058 12.1732 numMergedOcc 0
47 mol 25 unq 2 iso 1 dist 8.87757 7.33728 6.25843 13.6145 6.53269 9.62058 4.69295 9.16515 4.98822 12.1732 numMergedOcc 0
48 mol 25 unq 1 iso 0 dist 8.87757 7.33728 6.25843 8.79309 9.82987 7.91914 14.9206 9.40732 10.9145 8.68941 numMergedOcc 0
49 mol 25 unq 1 iso 1 dist 8.87757 7.33728 6.25843 14.9206 9.40732 10.9145 8.79309 9.82987 7.91914 8.68941 numMergedOcc 0
50 mol 25 unq 2 iso 0 dist 8.87757 7.33728 6.25843 8.79309 9.82987 7.91914 13.6145 6.53269 9.62058 9.54872 numMergedOcc 0
51 mol 25 unq 2 iso 1 dist 8.87757 7.33728 6.25843 13.6145 6.53269 9.62058 8.79309 9.82987 7.91914 9.54872 numMergedOcc 0
52 mol 25 unq 2 iso 0 dist 8.87757 7.33728 6.25843 14.9206 9.40732 10.9145 13.6145 6.53269 9.62058 3.49276 numMergedOcc 0
53 mol 25 unq 2 iso 1 dist 8.87757 7.33728 6.25843 13.6145 6.53269 9.62058 14.9206 9.40732 10.9145 3.49276 numMergedOcc 0
54 mol 25 unq 3 iso 0 dist 8.87757 13.9331 8.88938 4.69295 9.16515 13.4321 8.79309 9.82987 9.66912 5.78812 numMergedOcc 0
55 mol 25 unq 3 iso 1 dist 8.87757 13.9331 8.88938 8.79309 9.82987 9.66912 4.69295 9.16515 13.4321 5.78812 numMergedOcc 0
56 mol 25 unq 4 iso 0 dist 8.87757 13.9331 8.88938 4.69295 9.16515 13.4321 14.9206 9.40732 5.86134 12.6527 numMergedOcc 0
57 mol 25 unq 4 iso 1 dist 8.87757 13.9331 8.88938 14.9206 9.40732 5.86134 4.69295 9.16515 13.4321 12.6527 numMergedOcc 0
58 mol 25 unq 5 iso 0 dist 8.87757 13.9331 8.88938 4.69295 9.16515 13.4321 13.6145 6.53269 5.38592 12.1732 numMergedOcc 0
59 mol 25 unq 5 iso 1 dist 8.87757 13.9331 8.88938 13.6145 6.53269 5.38592 4.69295 9.16515 13.4321 12.1732 numMergedOcc 0
60 mol 25 unq 4 iso 0 dist 8.87757 13.9331 8.88938 8.79309 9.82987 9.66912 14.9206 9.40732 5.86134 8.68941 numMergedOcc 0
61 mol 25 unq 4 iso 1 dist 8.87757 13.9331 8.88938 14.9206 9.40732 5.86134 8.79309 9.82987 9.66912 8.68941 numMergedOcc 0
62 mol 25 unq 5 iso 0 dist 8.87757 13.9331 8.88938 8.79309 9.82987 9.66912 13.6145 6.53269 5.38592 9.54872 numMergedOcc 0
63 mol 25 unq 5 iso 1 dist 8.87757 13.9331 8.88938 13.6145 6.53269 5.38592 8.79309 9.82987 9.66912 9.54872 numMergedOcc 0
64 mol 25 unq 5 iso 0 dist 8.87757 13.9331 8.88938 14.9206 9.40732 5.86134 13.6145 6.53269 5.38592 3.49276 numMergedOcc 0
65 mol 25 unq 5 iso 1 dist 8.87757 13.9331 8.88938 13.6145 6.53269 5.38592 14.9206 9.40732 5.86134 3.49276 numMergedOcc 0
66 mol 25 unq 6 iso 0 dist 8.50222 9.34396 6.25843 13.2447 9.16515 4.98822 11.8139 9.82987 7.91914 5.78812 numMergedOcc 0
67 mol 25 unq 6 iso 1 dist 8.50222 9.34396 6.25843 11.8139 9.82987 7.91914 13.2447 9.16515 4.98822 5.78812 numMergedOcc 0
68 mol 25 unq 7 iso 0 dist 8.50222 9.34396 6.25843 13.2447 9.16515 4.98822 6.28979 9.40732 10.9145 12.6527 numMergedOcc 0
69 mol 25 unq 7 iso 1 dist 8.50222 9.34396 6.25843 6.28979 9.40732 10.9145 13.2447 9.16515 4.98822 12.6527 numMergedOcc 0
70 mol 25 unq 8 iso 0 dist 8.50222 9.34396 6.25843 13.2447 9.16515 4.98822 5.18617 6.53269 9.62058 12.1732 numMergedOcc 0
71 mol 25 unq 8 iso 1 dist 8.50222 9.34396 6.25843 5.18617 6.53269 9.62058 13.2447 9.16515 4.98822 12.1732 numMergedOcc 0
72 mol 25 unq 7 iso 0 dist 8.50222 9.34396 6.25843 11.8139 9.82987 7.91914 6.28979 9.40732 10.9145 8.68941 numMergedOcc 0
73 mol 25 unq 7 iso 1 dist 8.50222 9.34396 6.25843 6.28979 9.40732 10.9145 11.8139 9.82987 7.91914 8.68941 numMergedOcc 0
74 mol 25 unq 8 iso 0 dist 8.50222 9.34396 6.25843 11.8139 9.82987 7.91914 5.18617 6.53269 9.62058 9.54872 numMergedOcc 0
75 mol 25 unq 8 iso 1 dist 8.50222 9.34396 6.25843 5.18617 6.53269 9.62058 11.8139 9.82987 7.91914 9.54872 numMergedOcc 0
76 mol 25 unq 8 iso 0 dist 8.50222 9.34396 6.25843 6.28979 9.40732 10.9145 5.18617 6.53269 9.62058 3.49276 numMergedOcc 0
77 mol 25 unq 8 iso 1 dist 8.50222 9.34396 6.25843 5.18617 6.53269 9.62058 6.28979 9.40732 10.9145 3.49276 numMergedOcc 0
78 mol 25 unq 9 iso 0 dist 8.50222 10.5328 8.88938 13.2447 9.16515 13.4321 11.8139 9.82987 9.66912 5.78812 numMergedOcc 0
79 mol 25 unq 9 iso 1 dist 8.50222 10.5328 8.88938 11.8139 9.82987 9.66912 13.2447 9.16515 13.4321 5.78812 numMergedOcc 0
80 mol 25 unq 10 iso 0 dist 8.50222 10.5328 8.88938 13.2447 9.16515 13.4321 6.28979 9.40732 5.86134 12.6527 numMergedOcc 0
81 mol 25 unq 10 iso 1 dist 8.50222 10.5328 8.88938 6.28979 9.40732 5.86134 13.2447 9.16515 13.4321 12.6527 numMergedOcc 0
82 mol 25 unq 11 iso 0 dist 8.50222 10.5328 8.88938 13.2447 9.16515 13.4321 5.18617 6.53269 5.38592 12.1732 numMergedOcc 0
83 mol 25 unq 11 iso 1 dist 8.50222 10.5328 8.88938 5.18617 6.53269 5.38592 13.2447 9.16515 13.4321 12.1732 numMergedOcc 0
84 mol 25 unq 10 iso 0 dist 8.50222 10.5328 8.88938 11.8139 9.82987 9.66912 6.28979 9.40732 5.86134 8.68941 numMergedOcc 0
85 mol 25 unq 10 iso 1 dist 8.50222 10.5328 8.88938 6.28979 9.40732 5.86134 11.8139 9.82987 9.66912 8.68941 numMergedOcc 0
86 mol 25 unq 11 iso 0 dist 8.50222 10.5328 8.88938 11.8139 9.82987 9.66912 5.18617 6.53269 5.38592 9.54872 numMergedOcc 0
87 mol 25 unq 11 iso 1 dist 8.50222 10.5328 8.88938 5.18617 6.53269 5.38592 11.8139 9.82987 9.66912 9.54872 numMergedOcc 0
88 mol 25 unq 11 iso 0 dist 8.50222 10.5328 8.88938 6.28979 9.40732 5.86134 5.18617 6.53269 5.38592 3.49276 numMergedOcc 0
89 mol 25 unq 11 iso 1 dist 8.50222 10.5328 8.88938 5.18617 6.53269 5.38592 6.28979 9.40732 5.86134 3.49276 numMergedOcc 0
90 mol 25 unq 12 iso 0 dist 7.55264 10.8498 6.25843 14.9982 9.16515 4.98822 14.1251 9.82987 7.91914 5.78812 numMergedOcc 0
91 mol 25 unq 12 iso 1 dist 7.55264 10.8498 6.25843 14.1251 9.82987 7.91914 14.9982 9.16515 4.98822 5.78812 numMergedOcc 0
92 mol 25 unq 13 iso 0 dist 7.55264 10.8498 6.25843 14.9982 9.16515 4.98822 8.41421 9.40732 10.9145 12.6527 numMergedOcc 0
93 mol 25 unq 13 iso 1 dist 7.55264 10.8498 6.25843 8.41421 9.40732 10.9145 14.9982 9.16515 4.98822 12.6527 numMergedOcc 0
94 mol 25 unq 14 iso 0 dist 7.55264 10.8498 6.25843 14.9982 9.16515 4.98822 5.68041 6.53269 9.62058 12.1732 numMergedOcc 0
95 mol 25 unq 14 iso 1 dist 7.55264 10.8498 6.25843 5.68041 6.53269 9.62058 14.9982 9.16515 4.98822 12.1732 numMergedOcc 0
96 mol 25 unq 13 iso 0 dist 7.55264 10.8498 6.25843 14.1251 9.82987 7.91914 8.41421 9.40732 10.9145 8.68941 numMergedOcc 0
97 mol 25 unq 13 iso 1 dist 7.55264 10.8498 6.25843 8.41421 9.40732 10.9145 14.1251 9.82987 7.91914 8.68941 numMergedOcc 0
98 mol 25 unq 14 iso 0 dist 7.55264 10.8498 6.25843 14.1251 9.82987 7.91914 5.68041 6.53269 9.62058 9.54872 numMergedOcc 0
99 mol 25 unq 14 iso 1 dist 7.55264 10.8498 6.25843 5.68041 6.53269 9.62058 14.1251 9.82987 7.91914 9.54872 numMergedOcc 0
100 mol 25 unq 14 iso 0 dist 7.55264 10.8498 6.25843 8.41421 9.40732 10.9145 5.68041 6.53269 9.62058 3.49276 numMergedOcc 0
101 mol 25 unq 14 iso 1 dist 7.55264 10.8498 6.25843 5.68041 6.53269 9.62058 8.41421 9.40732 10.9145 3.49276 numMergedOcc 0
102 mol 25 unq 15 iso 0 dist 7.55264 10.4337 8.88938 14.9982 9.16515 13.4321 14.1251 9.82987 9.66912 5.78812 numMergedOcc 0
103 mol 25 unq 15 iso 1 dist 7.55264 10.4337 8.88938 14.1251 9.82987 9.66912 14.9982 9.16515 13.4321 5.78812 numMergedOcc 0
104 mol 25 unq 16 iso 0 dist 7.55264 10.4337 8.88938 14.9982 9.16515 13.4321 8.41421 9.40732 5.86134 12.6527 numMergedOcc 0
105 mol 25 unq 16 iso 1 dist 7.55264 10.4337 8.88938 8.41421 9.40732 5.86134 14.9982 9.16515 13.4321 12.6527 numMergedOcc 0
106 mol 25 unq 17 iso 0 dist 7.55264 10.4337 8.88938 14.9982 9.16515 13.4321 5.68041 6.53269 5.38592 12.1732 numMergedOcc 0
107 mol 25 unq 17 iso 1 dist 7.55264 10.4337 8.88938 5.68041 6.53269 5.38592 14.9982 9.16515 13.4321 12.1732 numMergedOcc 0
108 mol 25 unq 16 iso 0 dist 7.55264 10.4337 8.88938 14.1251 9.82987 9.66912 8.41421 9.40732 5.86134 8.68941 numMergedOcc 0
109 mol 25 unq 16 iso 1 dist 7.55264 10.4337 8.88938 8.41421 9.40732 5.86134 14.1251 9.82987 9.66912 8.68941 numMergedOcc 0
110 mol 25 unq 17 iso 0 dist 7.55264 10.4337 8.88938 14.1251 9.82987 9.66912 5.68041 6.53269 5.38592 9.54872 numMergedOcc 0
111 mol 25 unq 17 iso 1 dist 7.55264 10.4337 8.88938 5.68041 6.53269 5.38592 14.1251 9.82987 9.66912 9.54872 numMergedOcc 0
112 mol 25 unq 17 iso 0 dist 7.55264 10.4337 8.88938 8.41421 9.40732 5.86134 5.68041 6.53269 5.38592 3.49276 numMergedOcc 0
113 mol 25 unq 17 iso 1 dist 7.55264 10.4337 8.88938 5.68041 6.53269 5.38592 8.41421 9.40732 5.86134 3.49276 numMergedOcc 0
114 mol 73 unq 0 iso 0 dist 9.24757 6.29906 8.87464 6.20232 8.96616 5.29727 5.70116 6.14542 3.85385 3.30399 numMergedOcc 0
115 mol 73 unq 0 iso 1 dist 9.24757 6.29906 8.87464 5.70116 6.14542 3.85385 6.20232 8.96616 5.29727 3.30399 numMergedOcc 0
116 mol 85 unq 0 iso 0 dist 9.82915 10.4987 9.66222 11.9064 5.05893 11.0952 14.7521 5.71866 12.5181 3.78063 numMergedOcc 0
117 mol 85 unq 0 iso 1 dist 9.82915 10.4987 9.66222 14.7521 5.71866 12.5181 11.9064 5.05893 11.0952 3.78063 numMergedOcc 0
118 mol 98 unq 0 iso 0 dist 6.65501 7.06961 6.88901 10.4782 8.46823 3.92737 3.9764 4.62494 3.94967 6.70343 numMergedOcc 0
119 mol 98 unq 0 iso 1 dist 6.65501 7.06961 6.88901 3.9764 4.62494 3.94967 10.4782 8.46823 3.92737 6.70343 numMergedOcc 0
120 mol 141 unq 0 iso 0 dist 8.10291 14.7684 9.83945 4.32342 7.42144 16.2294 7.17845 6.27658 15.9806 3.3724 numMergedOcc 0
121 mol 141 unq 0 iso 1 dist 8.10291 14.7684 9.83945 7.17845 6.27658 15.9806 4.32342 7.42144 16.2294 3.3724 numMergedOcc 0
122 mol 171 unq 0 iso 0 dist 6.64834 6.45673 7.22518 8.99935 9.34834 14.0016 7.15048 5.74846 11.4302 6.47468 numMergedOcc 0
123 mol 171 unq 0 iso 1 dist 6.64834 6.45673 7.22518 7.15048 5.74846 11.4302 8.99935 9.34834 14.0016 6.47468 numMergedOcc 0
124 mol 171 unq 1 iso 0 dist 6.64834 4.78075 5.25109 8.99935 9.34834 10.0655 7.15048 5.74846 4.88147 6.47468 numMergedOcc 0
125 mol 171 unq 1 iso 1 dist 6.64834 4.78075 5.25109 7.15048 5.74846 4.88147 8.99935 9.34834 10.0655 6.47468 numMergedOcc 0
126 mol 171 unq 2 iso 0 dist 5.93786 5.48551 7.22518 9.35703 9.34834 14.0016 9.14311 5.74846 11.4302 6.47468 numMergedOcc 0
127 mol 171 unq 2 iso 1 dist 5.93786 5.48551 7.22518 9.14311 5.74846 11.4302 9.35703 9.34834 14.0016 6.47468 numMergedOcc 0
128 mol 171 unq 3 iso 0 dist 5.93786 7.9651 5.25109 9.35703 9.34834 10.0655 9.14311 5.74846 4.88147 6.47468 numMergedOcc 0
129 mol 171 unq 3 iso 1 dist 5.93786 7.9651 5.25109 9.14311 5.74846 4.88147 9.35703 9.34834 10.0655 6.47468 numMergedOcc 0
130 mol 171 unq 4 iso 0 dist 8.24693 8.05069 7.22518 14.4375 9.34834 14.0016 13.6262 5.74846 11.4302 6.47468 numMergedOcc 0
131 mol 171 unq 4 iso 1 dist 8.24693 8.05069 7.22518 13.6262 5.74846 11.4302 14.4375 9.34834 14.0016 6.47468 numMergedOcc 0
132 mol 171 unq 5 iso 0 dist 8.24693 12.6853 5.25109 14.4375 9.34834 10.0655 13.6262 5.74846 4.88147 6.47468 numMergedOcc 0
133 mol 171 unq 5 iso 1 dist 8.24693 12.6853 5.25109 13.6262 5.74846 4.88147 14.4375 9.34834 10.0655 6.47468 numMergedOcc 0
134 mol 171 unq 6 iso 0 dist 7.36698 11.2785 7.22518 4.66982 9.34834 14.0016 3.65288 5.74846 11.4302 6.47468 numMergedOcc 0
135 mol 171 unq 6 iso 1 dist 7.36698 11.2785 7.22518 3.65288 5.74846 11.4302 4.66982 9.34834 14.0016 6.47468 numMergedOcc 0
136 mol 171 unq 7 iso 0 dist 7.36698 5.90026 5.25109 4.66982 9.34834 10.0655 3.65288 5.74846 4.88147 6.47468 numMergedOcc 0
137 mol 171 unq 7 iso 1 dist 7.36698 5.90026 5.25109 3.65288 5.74846 4.88147 4.66982 9.34834 10.0655 6.47468 numMergedOcc 0
138 mol 181 unq 0 iso 0 dist 6.46704 7.81713 7.32087 6.28125 9.06571 5.3698 6.50233 7.35884 6.39406 3.56877 numMergedOcc 0
139 mol 181 unq 0 iso 1 dist 6.46704 7.81713 7.32087 6.50233 7.35884 6.39406 6.28125 9.06571 5.3698 3.56877 numMergedOcc 0
140 mol 181 unq 1 iso 0 dist 5.9176 6.29863 7.22883 10.6474 8.12266 14.2282 5.12833 9.43306 10.273 10.1041 numMergedOcc 0
141 mol 181 unq 1 iso 1 dist 5.9176 6.29863 7.22883 5.12833 9.43306 10.273 10.6474 8.12266 14.2282 10.1041 numMergedOcc 0
142 mol 181 unq 2 iso 0 dist 5.9176 6.29863 7.22883 10.6474 8.12266 14.2282 4.61184 8.59681 5.14966 13.0097 numMergedOcc 0
143 mol 181 unq 2 iso 1 dist 5.9176 6.29863 7.22883 4.61184 8.59681 5.14966 10.6474 8.12266 14.2282 13.0097 numMergedOcc 0
144 mol 181 unq 2 iso 0 dist 5.9176 6.29863 7.22883 5.12833 9.43306 10.273 4.61184 8.59681 5.14966 6.02942 numMergedOcc 0
145 mol 181 unq 2 iso 1 dist 5.9176 6.29863 7.22883 4.61184 8.59681 5.14966 5.12833 9.43306 10.273 6.02942 numMergedOcc 0
146 mol 194 unq 0 iso 0 dist 8.65535 11.6598 6.1886 10.0756 4.19371 4.002 16.4082 9.71015 7.09553 6.41254 numMergedOcc 0
147 mol 194 unq 0 iso 1 dist 8.65535 11.6598 6.1886 16.4082 9.71015 7.09553 10.0756 4.19371 4.002 6.41254 numMergedOcc 0
148 mol 273 unq 0 iso 0 dist 8.83865 12.0136 7.16346 4.24707 7.85836 8.43367 8.56043 6.35532 3.78984 4.80896 numMergedOcc 0
149 mol 273 unq 0 iso 1 dist 8.83865 12.0136 7.16346 8.56043 6.35532 3.78984 4.24707 7.85836 8.43367 4.80896 numMergedOcc 0
150 mol 273 unq 1 iso 0 dist 9.18157 12.1851 7.16346 6.65672 7.85836 8.43367 8.81454 6.35532 3.78984 4.80896 numMergedOcc 0
151 mol 273 unq 1 iso 1 dist 9.18157 12.1851 7.16346 8.81454 6.35532 3.78984 6.65672 7.85836 8.43367 4.80896 numMergedOcc 0
152 mol 274 unq 0 iso 0 dist 7.46394 11.1602 7.75216 5.22914 7.77765 13.9324 14.7507 9.65868 10.7442 13.5848 numMergedOcc 0
153 mol 274 unq 0 iso 1 dist 7.46394 11.1602 7.75216 14.7507 9.65868 10.7442 5.22914 7.77765 13.9324 13.5848 numMergedOcc 0
154 mol 274 unq 1 iso 0 dist 9.45514 6.52035 7.75216 12.393 7.77765 13.9324 8.87855 9.65868 10.7442 13.5848 numMergedOcc 0
155 mol 274 unq 1 iso 1 dist 9.45514 6.52035 7.75216 8.87855 9.65868 10.7442 12.393 7.77765 13.9324 13.5848 numMergedOcc 0
156 mol 274 unq 2 iso 0 dist 8.91672 5.58338 7.75216 16.5034 7.77765 13.9324 12.5615 9.65868 10.7442 13.5848 numMergedOcc 0
157 mol 274 unq 2 iso 1 dist 8.91672 5.58338 7.75216 12.5615 9.65868 10.7442 16.5034 7.77765 13.9324 13.5848 numMergedOcc 0
158 mol 274 unq 3 iso 0 dist 7.1729 5.71192 7.75216 10.2884 7.77765 13.9324 13.0867 9.65868 10.7442 13.5848 numMergedOcc 0
159 mol 274 unq 3 iso 1 dist 7.1729 5.71192 7.75216 13.0867 9.65868 10.7442 10.2884 7.77765 13.9324 13.5848 numMergedOcc 0
