0 mol 18 unq 0 iso 0 dist 8.52106 11.5747 9.35863 6.11048 5.04478 10.6819 numMergedOcc 0
1 mol 18 unq 0 iso 1 dist 8.52106 6.11048 5.04478 11.5747 9.35863 10.6819 numMergedOcc 0
2 mol 18 unq 1 iso 0 dist 6.32451 6.96996 9.35863 4.52259 5.04478 10.6819 numMergedOcc 0
3 mol 18 unq 1 iso 1 dist 6.32451 4.52259 5.04478 6.96996 9.35863 10.6819 numMergedOcc 0
4 mol 20 unq 0 iso 0 dist 6.4934 5.48225 5.9809 9.03258 5.83917 5.28474 numMergedOcc 0
5 mol 20 unq 0 iso 1 dist 6.4934 9.03258 5.83917 5.48225 5.9809 5.28474 numMergedOcc 0
6 mol 20 unq 1 iso 0 dist 6.93199 7.06175 5.9809 3.79581 5.83917 5.28474 numMergedOcc 0
7 mol 20 unq 1 iso 1 dist 6.93199 3.79581 5.83917 7.06175 5.9809 5.28474 numMergedOcc 0
8 mol 21 unq 0 iso 0 dist 6.08338 14.0241 9.35562 4.20001 8.63857 15.9052 numMergedOcc 0
9 mol 21 unq 0 iso 1 dist 6.08338 4.20001 8.63857 14.0241 9.35562 15.9052 numMergedOcc 0
10 mol 39 unq 0 iso 0 dist 7.45237 9.26784 8.94353 10.2083 7.30265 9.75478 numMergedOcc 0
11 mol 39 unq 0 iso 1 dist 7.45237 10.2083 7.30265 9.26784 8.94353 9.75478 numMergedOcc 0
12 mol 58 unq 0 iso 0 dist 9.33535 7.00806 7.60018 9.53718 7.03126 3.6461 numMergedOcc 0
13 mol 58 unq 0 iso 1 dist 9.33535 9.53718 7.03126 7.00806 7.60018 3.6461 numMergedOcc 0
14 mol 58 unq 1 iso 0 dist 8.26899 6.20618 7.60018 5.61579 7.03126 3.6461 numMergedOcc 0
15 mol 58 unq 1 iso 1 dist 8.26899 5.61579 7.03126 6.20618 7.60018 3.6461 numMergedOcc 0
16 mol 72 unq 0 iso 0 dist 8.624 5.72408 9.37102 3.94376 5.4605 5.17981 numMergedOcc 0
17 mol 72 unq 0 iso 1 dist 8.624 3.94376 5.4605 5.72408 9.37102 5.17981 numMergedOcc 0
18 mol 72 unq 1 iso 0 dist 8.624 5.72408 9.37102 6.19288 6.53824 9.85358 numMergedOcc 0
19 mol 72 unq 1 iso 1 dist 8.624 6.19288 6.53824 5.72408 9.37102 9.85358 numMergedOcc 0
20 mol 72 unq 1 iso 0 dist 8.624 3.94376 5.4605 6.19288 6.53824 4.85556 numMergedOcc 0
21 mol 72 unq 1 iso 1 dist 8.624 6.19288 6.53824 3.94376 5.4605 4.85556 numMergedOcc 0
22 mol 72 unq 2 iso 0 dist 6.77912 10.0679 9.37102 5.69391 5.4605 5.17981 numMergedOcc 0
23 mol 72 unq 2 iso 1 dist 6.77912 5.69391 5.4605 10.0679 9.37102 5.17981 numMergedOcc 0
24 mol 72 unq 3 iso 0 dist 6.77912 10.0679 9.37102 4.03844 6.53824 9.85358 numMergedOcc 0
25 mol 72 unq 3 iso 1 dist 6.77912 4.03844 6.53824 10.0679 9.37102 9.85358 numMergedOcc 0
26 mol 72 unq 3 iso 0 dist 6.77912 5.69391 5.4605 4.03844 6.53824 4.85556 numMergedOcc 0
27 mol 72 unq 3 iso 1 dist 6.77912 4.03844 6.53824 5.69391 5.4605 4.85556 numMergedOcc 0
28 mol 72 unq 4 iso 0 dist 7.321 7.47371 9.14817 9.67587 9.76686 3.43675 numMergedOcc 0
29 mol 72 unq 4 iso 1 dist 7.321 9.67587 9.76686 7.47371 9.14817 3.43675 numMergedOcc 0
30 mol 72 unq 5 iso 0 dist 7.321 7.47371 9.14817 7.07356 9.437 5.75711 numMergedOcc 0
31 mol 72 unq 5 iso 1 dist 7.321 7.07356 9.437 7.47371 9.14817 5.75711 numMergedOcc 0
32 mol 72 unq 5 iso 0 dist 7.321 9.67587 9.76686 7.07356 9.437 5.26077 numMergedOcc 0
33 mol 72 unq 5 iso 1 dist 7.321 7.07356 9.437 9.67587 9.76686 5.26077 numMergedOcc 0
34 mol 78 unq 0 iso 0 dist 8.30646 4.77202 5.47706 8.12982 8.89842 7.95975 numMergedOcc 0
35 mol 78 unq 0 iso 1 dist 8.30646 8.12982 8.89842 4.77202 5.47706 7.95975 numMergedOcc 0
36 mol 78 unq 1 iso 0 dist 8.30646 4.77202 5.47706 11.8801 8.07568 8.2592 numMergedOcc 0
37 mol 78 unq 1 iso 1 dist 8.30646 11.8801 8.07568 4.77202 5.47706 8.2592 numMergedOcc 0
38 mol 78 unq 1 iso 0 dist 8.30646 8.12982 8.89842 11.8801 8.07568 15.4762 numMergedOcc 0
39 mol 78 unq 1 iso 1 dist 8.30646 11.8801 8.07568 8.12982 8.89842 15.4762 numMergedOcc 0
40 mol 95 unq 0 iso 0 dist 8.67367 10.2625 9.51318 10.2496 9.84457 5.04906 numMergedOcc 0
41 mol 95 unq 0 iso 1 dist 8.67367 10.2496 9.84457 10.2625 9.51318 5.04906 numMergedOcc 0
42 mol 119 unq 0 iso 0 dist 7.39889 6.30721 6.55202 14.443 9.08536 12.7135 numMergedOcc 0
43 mol 119 unq 0 iso 1 dist 7.39889 14.443 9.08536 6.30721 6.55202 12.7135 numMergedOcc 0
44 mol 119 unq 1 iso 0 dist 9.63176 6.9194 6.55202 9.68677 9.08536 12.7135 numMergedOcc 0
45 mol 119 unq 1 iso 1 dist 9.63176 9.68677 9.08536 6.9194 6.55202 12.7135 numMergedOcc 0
46 mol 119 unq 2 iso 0 dist 7.44174 12.4621 6.55202 6.20019 9.08536 12.7135 numMergedOcc 0
47 mol 119 unq 2 iso 1 dist 7.44174 6.20019 9.08536 12.4621 6.55202 12.7135 numMergedOcc 0
48 mol 126 unq 0 iso 0 dist 7.75534 5.42561 8.7789 10.7549 9.93613 6.16496 numMergedOcc 0
49 mol 126 unq 0 iso 1 dist 7.75534 10.7549 9.93613 5.42561 8.7789 6.16496 numMergedOcc 0
50 mol 126 unq 1 iso 0 dist 9.06011 7.47528 8.7789 11.9496 9.93613 6.16496 numMergedOcc 0
51 mol 126 unq 1 iso 1 dist 9.06011 11.9496 9.93613 7.47528 8.7789 6.16496 numMergedOcc 0
52 mol 173 unq 0 iso 0 dist 7.93331 12.4131 8.62366 8.85462 9.44973 6.03503 numMergedOcc 0
53 mol 173 unq 0 iso 1 dist 7.93331 8.85462 9.44973 12.4131 8.62366 6.03503 numMergedOcc 0
54 mol 173 unq 1 iso 0 dist 7.93331 12.4131 8.62366 6.91529 6.52508 7.19559 numMergedOcc 0
55 mol 173 unq 1 iso 1 dist 7.93331 6.91529 6.52508 12.4131 8.62366 7.19559 numMergedOcc 0
56 mol 173 unq 1 iso 0 dist 7.93331 8.85462 9.44973 6.91529 6.52508 6.51246 numMergedOcc 0
57 mol 173 unq 1 iso 1 dist 7.93331 6.91529 6.52508 8.85462 9.44973 6.51246 numMergedOcc 0
58 mol 173 unq 2 iso 0 dist 6.98095 12.5815 8.62366 9.65654 9.44973 6.03503 numMergedOcc 0
59 mol 173 unq 2 iso 1 dist 6.98095 9.65654 9.44973 12.5815 8.62366 6.03503 numMergedOcc 0
60 mol 173 unq 3 iso 0 dist 6.98095 12.5815 8.62366 9.44845 6.52508 7.19559 numMergedOcc 0
61 mol 173 unq 3 iso 1 dist 6.98095 9.44845 6.52508 12.5815 8.62366 7.19559 numMergedOcc 0
62 mol 173 unq 3 iso 0 dist 6.98095 9.65654 9.44973 9.44845 6.52508 6.51246 numMergedOcc 0
63 mol 173 unq 3 iso 1 dist 6.98095 9.44845 6.52508 9.65654 9.44973 6.51246 numMergedOcc 0
64 mol 173 unq 4 iso 0 dist 8.31897 8.63452 8.62366 4.83786 9.44973 6.03503 numMergedOcc 0
65 mol 173 unq 4 iso 1 dist 8.31897 4.83786 9.44973 8.63452 8.62366 6.03503 numMergedOcc 0
66 mol 173 unq 5 iso 0 dist 8.31897 8.63452 8.62366 3.74688 6.52508 7.19559 numMergedOcc 0
67 mol 173 unq 5 iso 1 dist 8.31897 3.74688 6.52508 8.63452 8.62366 7.19559 numMergedOcc 0
68 mol 173 unq 5 iso 0 dist 8.31897 4.83786 9.44973 3.74688 6.52508 6.51246 numMergedOcc 0
69 mol 173 unq 5 iso 1 dist 8.31897 3.74688 6.52508 4.83786 9.44973 6.51246 numMergedOcc 0
70 mol 181 unq 0 iso 0 dist 4.93785 6.8757 9.09234 5.71898 6.76746 11.196 numMergedOcc 0
71 mol 181 unq 0 iso 1 dist 4.93785 5.71898 6.76746 6.8757 9.09234 11.196 numMergedOcc 0
72 mol 181 unq 1 iso 0 dist 4.93785 6.8757 9.09234 5.83796 8.92098 10.1041 numMergedOcc 0
73 mol 181 unq 1 iso 1 dist 4.93785 5.83796 8.92098 6.8757 9.09234 10.1041 numMergedOcc 0
74 mol 181 unq 1 iso 0 dist 4.93785 5.71898 6.76746 5.83796 8.92098 3.55187 numMergedOcc 0
75 mol 181 unq 1 iso 1 dist 4.93785 5.83796 8.92098 5.71898 6.76746 3.55187 numMergedOcc 0
76 mol 194 unq 0 iso 0 dist 5.48258 4.66791 7.10155 5.97754 6.11135 5.31005 numMergedOcc 0
77 mol 194 unq 0 iso 1 dist 5.48258 5.97754 6.11135 4.66791 7.10155 5.31005 numMergedOcc 0
78 mol 228 unq 0 iso 0 dist 9.42615 10.0586 8.6457 4.76982 8.8055 6.06098 numMergedOcc 0
79 mol 228 unq 0 iso 1 dist 9.42615 4.76982 8.8055 10.0586 8.6457 6.06098 numMergedOcc 0
80 mol 228 unq 1 iso 0 dist 9.06121 9.80263 8.66946 4.63053 8.55761 5.90992 numMergedOcc 0
81 mol 228 unq 1 iso 1 dist 9.06121 4.63053 8.55761 9.80263 8.66946 5.90992 numMergedOcc 0
82 mol 233 unq 0 iso 0 dist 9.43203 8.59528 8.24424 5.43315 7.0942 3.55463 numMergedOcc 0
83 mol 233 unq 0 iso 1 dist 9.43203 5.43315 7.0942 8.59528 8.24424 3.55463 numMergedOcc 0
84 mol 233 unq 1 iso 0 dist 9.43203 8.59528 8.24424 6.8325 6.01775 8.23358 numMergedOcc 0
85 mol 233 unq 1 iso 1 dist 9.43203 6.8325 6.01775 8.59528 8.24424 8.23358 numMergedOcc 0
86 mol 233 unq 1 iso 0 dist 9.43203 5.43315 7.0942 6.8325 6.01775 6.91967 numMergedOcc 0
87 mol 233 unq 1 iso 1 dist 9.43203 6.8325 6.01775 5.43315 7.0942 6.91967 numMergedOcc 0
88 mol 234 unq 0 iso 0 dist 9.5707 3.95629 8.27411 15.9732 6.96257 15.1017 numMergedOcc 0
89 mol 234 unq 0 iso 1 dist 9.5707 15.9732 6.96257 3.95629 8.27411 15.1017 numMergedOcc 0
90 mol 238 unq 0 iso 0 dist 7.49471 12.7938 5.43613 6.82305 7.24334 11.1752 numMergedOcc 0
91 mol 238 unq 0 iso 1 dist 7.49471 6.82305 7.24334 12.7938 5.43613 11.1752 numMergedOcc 0
92 mol 238 unq 1 iso 0 dist 7.19008 11.0772 5.43613 5.71717 7.24334 11.1752 numMergedOcc 0
93 mol 238 unq 1 iso 1 dist 7.19008 5.71717 7.24334 11.0772 5.43613 11.1752 numMergedOcc 0
94 mol 259 unq 0 iso 0 dist 7.48005 10.282 8.84648 10.067 6.23661 8.0048 numMergedOcc 0
95 mol 259 unq 0 iso 1 dist 7.48005 10.067 6.23661 10.282 8.84648 8.0048 numMergedOcc 0
96 mol 259 unq 1 iso 0 dist 8.37865 4.04513 8.84648 7.09907 6.23661 8.0048 numMergedOcc 0
97 mol 259 unq 1 iso 1 dist 8.37865 7.09907 6.23661 4.04513 8.84648 8.0048 numMergedOcc 0
98 mol 267 unq 0 iso 0 dist 8.76007 11.5903 6.32877 9.15724 9.48115 6.14857 numMergedOcc 0
99 mol 267 unq 0 iso 1 dist 8.76007 9.15724 9.48115 11.5903 6.32877 6.14857 numMergedOcc 0
100 mol 267 unq 1 iso 0 dist 8.76007 11.5903 6.32877 5.65969 8.38545 12.5387 numMergedOcc 0
101 mol 267 unq 1 iso 1 dist 8.76007 5.65969 8.38545 11.5903 6.32877 12.5387 numMergedOcc 0
102 mol 267 unq 2 iso 0 dist 8.76007 11.5903 6.32877 9.22276 5.08174 11.3792 numMergedOcc 0
103 mol 267 unq 2 iso 1 dist 8.76007 9.22276 5.08174 11.5903 6.32877 11.3792 numMergedOcc 0
104 mol 267 unq 3 iso 0 dist 8.76007 11.5903 6.32877 6.06209 6.10838 11.7355 numMergedOcc 0
105 mol 267 unq 3 iso 1 dist 8.76007 6.06209 6.10838 11.5903 6.32877 11.7355 numMergedOcc 0
106 mol 267 unq 1 iso 0 dist 8.76007 9.15724 9.48115 5.65969 8.38545 12.3649 numMergedOcc 0
107 mol 267 unq 1 iso 1 dist 8.76007 5.65969 8.38545 9.15724 9.48115 12.3649 numMergedOcc 0
108 mol 267 unq 2 iso 0 dist 8.76007 9.15724 9.48115 9.22276 5.08174 13.5886 numMergedOcc 0
109 mol 267 unq 2 iso 1 dist 8.76007 9.22276 5.08174 9.15724 9.48115 13.5886 numMergedOcc 0
110 mol 267 unq 3 iso 0 dist 8.76007 9.15724 9.48115 6.06209 6.10838 12.2591 numMergedOcc 0
111 mol 267 unq 3 iso 1 dist 8.76007 6.06209 6.10838 9.15724 9.48115 12.2591 numMergedOcc 0
112 mol 267 unq 2 iso 0 dist 8.76007 5.65969 8.38545 9.22276 5.08174 7.9327 numMergedOcc 0
113 mol 267 unq 2 iso 1 dist 8.76007 9.22276 5.08174 5.65969 8.38545 7.9327 numMergedOcc 0
114 mol 267 unq 3 iso 0 dist 8.76007 5.65969 8.38545 6.06209 6.10838 5.97578 numMergedOcc 0
115 mol 267 unq 3 iso 1 dist 8.76007 6.06209 6.10838 5.65969 8.38545 5.97578 numMergedOcc 0
116 mol 267 unq 3 iso 0 dist 8.76007 9.22276 5.08174 6.06209 6.10838 3.51278 numMergedOcc 0
117 mol 267 unq 3 iso 1 dist 8.76007 6.06209 6.10838 9.22276 5.08174 3.51278 numMergedOcc 0
118 mol 272 unq 0 iso 0 dist 7.67853 5.12237 8.84523 5.41667 6.95241 9.5745 numMergedOcc 0
119 mol 272 unq 0 iso 1 dist 7.67853 5.41667 6.95241 5.12237 8.84523 9.5745 numMergedOcc 0
