0 mol 9 unq 0 iso 0 dist 8.47421 8.27962 9.29529 8.57077 5.60154 6.85412 numMergedOcc 0
1 mol 9 unq 0 iso 1 dist 6.85412 5.60154 9.29529 8.57077 8.27962 8.47421 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 8.47421 11.4878 7.2199 8.57077 5.60154 6.33889 numMergedOcc 0
3 mol 9 unq 1 iso 1 dist 6.33889 5.60154 7.2199 8.57077 11.4878 8.47421 numMergedOcc 0
4 mol 15 unq 0 iso 0 dist 8.21493 5.01321 8.96967 10.4158 5.51916 9.78051 numMergedOcc 0
5 mol 15 unq 0 iso 1 dist 9.78051 5.51916 8.96967 10.4158 5.01321 8.21493 numMergedOcc 0
6 mol 15 unq 1 iso 0 dist 9.78051 5.51916 8.96967 6.82505 5.55659 7.12903 numMergedOcc 0
7 mol 15 unq 1 iso 1 dist 7.12903 5.55659 8.96967 6.82505 5.51916 9.78051 numMergedOcc 0
8 mol 45 unq 0 iso 0 dist 7.06308 9.01651 8.59109 11.2563 5.67689 9.20119 numMergedOcc 0
9 mol 45 unq 0 iso 1 dist 9.20119 5.67689 8.59109 11.2563 9.01651 7.06308 numMergedOcc 0
10 mol 45 unq 1 iso 0 dist 6.34173 6.89191 8.59109 7.58835 5.67689 9.20119 numMergedOcc 0
11 mol 45 unq 1 iso 1 dist 9.20119 5.67689 8.59109 7.58835 6.89191 6.34173 numMergedOcc 0
12 mol 45 unq 2 iso 0 dist 9.43442 5.54436 8.59109 11.5838 5.67689 9.20119 numMergedOcc 0
13 mol 45 unq 2 iso 1 dist 9.20119 5.67689 8.59109 11.5838 5.54436 9.43442 numMergedOcc 0
14 mol 45 unq 3 iso 0 dist 9.20119 16.2375 8.13782 15.0348 7.39653 6.99408 numMergedOcc 0
15 mol 45 unq 3 iso 1 dist 6.99408 7.39653 8.13782 15.0348 16.2375 9.20119 numMergedOcc 0
16 mol 45 unq 4 iso 0 dist 9.20119 16.2375 8.13782 19.2693 10.6095 9.3403 numMergedOcc 0
17 mol 45 unq 4 iso 1 dist 9.3403 10.6095 8.13782 19.2693 16.2375 9.20119 numMergedOcc 0
18 mol 58 unq 0 iso 0 dist 9.33535 6.78077 8.80108 10.1508 4.55117 6.40841 numMergedOcc 0
19 mol 58 unq 0 iso 1 dist 6.40841 4.55117 8.80108 10.1508 6.78077 9.33535 numMergedOcc 0
20 mol 58 unq 1 iso 0 dist 9.33535 6.78077 8.80108 13.9483 14.7581 7.58407 numMergedOcc 0
21 mol 58 unq 1 iso 1 dist 7.58407 14.7581 8.80108 13.9483 6.78077 9.33535 numMergedOcc 0
22 mol 58 unq 2 iso 0 dist 9.33535 6.78077 8.80108 12.7357 10.3782 6.31428 numMergedOcc 0
23 mol 58 unq 2 iso 1 dist 6.31428 10.3782 8.80108 12.7357 6.78077 9.33535 numMergedOcc 0
24 mol 58 unq 3 iso 0 dist 8.26899 6.75888 8.80108 7.32874 4.55117 6.40841 numMergedOcc 0
25 mol 58 unq 3 iso 1 dist 6.40841 4.55117 8.80108 7.32874 6.75888 8.26899 numMergedOcc 0
26 mol 58 unq 4 iso 0 dist 8.26899 6.75888 8.80108 13.4544 14.7581 7.58407 numMergedOcc 0
27 mol 58 unq 4 iso 1 dist 7.58407 14.7581 8.80108 13.4544 6.75888 8.26899 numMergedOcc 0
28 mol 58 unq 5 iso 0 dist 8.26899 6.75888 8.80108 9.55426 10.3782 6.31428 numMergedOcc 0
29 mol 58 unq 5 iso 1 dist 6.31428 10.3782 8.80108 9.55426 6.75888 8.26899 numMergedOcc 0
30 mol 58 unq 4 iso 0 dist 9.58673 6.47744 7.01363 6.86465 5.92889 8.63333 numMergedOcc 0
31 mol 58 unq 4 iso 1 dist 8.63333 5.92889 7.01363 6.86465 6.47744 9.58673 numMergedOcc 0
32 mol 58 unq 5 iso 0 dist 9.58673 6.47744 7.01363 6.35756 7.05413 8.89374 numMergedOcc 0
33 mol 58 unq 5 iso 1 dist 8.89374 7.05413 7.01363 6.35756 6.47744 9.58673 numMergedOcc 0
34 mol 58 unq 6 iso 0 dist 9.58673 6.47744 7.01363 10.3224 6.61756 6.46761 numMergedOcc 0
35 mol 58 unq 6 iso 1 dist 6.46761 6.61756 7.01363 10.3224 6.47744 9.58673 numMergedOcc 0
36 mol 58 unq 7 iso 0 dist 9.58673 6.47744 7.01363 15.4557 8.94672 9.73139 numMergedOcc 0
37 mol 58 unq 7 iso 1 dist 9.73139 8.94672 7.01363 15.4557 6.47744 9.58673 numMergedOcc 0
38 mol 59 unq 0 iso 0 dist 6.71911 5.3525 6.5096 7.71095 5.33688 8.24062 numMergedOcc 0
39 mol 59 unq 0 iso 1 dist 8.24062 5.33688 6.5096 7.71095 5.3525 6.71911 numMergedOcc 0
40 mol 72 unq 0 iso 0 dist 8.624 6.00418 9.19459 10.8086 7.11552 7.321 numMergedOcc 0
41 mol 72 unq 0 iso 1 dist 7.321 7.11552 9.19459 10.8086 6.00418 8.624 numMergedOcc 0
42 mol 72 unq 1 iso 0 dist 6.77912 9.0131 9.19459 9.96708 7.11552 7.321 numMergedOcc 0
43 mol 72 unq 1 iso 1 dist 7.321 7.11552 9.19459 9.96708 9.0131 6.77912 numMergedOcc 0
44 mol 114 unq 0 iso 0 dist 8.71128 9.2907 7.36816 10.1937 4.77056 8.68821 numMergedOcc 0
45 mol 114 unq 0 iso 1 dist 8.68821 4.77056 7.36816 10.1937 9.2907 8.71128 numMergedOcc 0
46 mol 114 unq 1 iso 0 dist 8.71128 9.2907 7.36816 12.4727 5.31865 7.12609 numMergedOcc 0
47 mol 114 unq 1 iso 1 dist 7.12609 5.31865 7.36816 12.4727 9.2907 8.71128 numMergedOcc 0
48 mol 114 unq 2 iso 0 dist 7.52743 5.33327 7.36816 7.35754 4.77056 8.68821 numMergedOcc 0
49 mol 114 unq 2 iso 1 dist 8.68821 4.77056 7.36816 7.35754 5.33327 7.52743 numMergedOcc 0
50 mol 114 unq 3 iso 0 dist 7.52743 5.33327 7.36816 10.473 5.31865 7.12609 numMergedOcc 0
51 mol 114 unq 3 iso 1 dist 7.12609 5.31865 7.36816 10.473 5.33327 7.52743 numMergedOcc 0
52 mol 115 unq 0 iso 0 dist 7.76729 10.2377 6.40036 9.33865 10.7942 7.64585 numMergedOcc 0
53 mol 115 unq 0 iso 1 dist 7.64585 10.7942 6.40036 9.33865 10.2377 7.76729 numMergedOcc 0
54 mol 127 unq 0 iso 0 dist 6.192 8.00931 6.3244 17.6472 14.085 9.81878 numMergedOcc 0
55 mol 127 unq 0 iso 1 dist 9.81878 14.085 6.3244 17.6472 8.00931 6.192 numMergedOcc 0
56 mol 127 unq 1 iso 0 dist 7.69308 6.85862 6.3244 15.0647 14.085 9.81878 numMergedOcc 0
57 mol 127 unq 1 iso 1 dist 9.81878 14.085 6.3244 15.0647 6.85862 7.69308 numMergedOcc 0
58 mol 127 unq 2 iso 0 dist 8.59981 4.77464 6.3244 9.30299 14.085 9.81878 numMergedOcc 0
59 mol 127 unq 2 iso 1 dist 9.81878 14.085 6.3244 9.30299 4.77464 8.59981 numMergedOcc 0
60 mol 127 unq 3 iso 0 dist 7.66331 7.11695 6.3244 14.7391 14.085 9.81878 numMergedOcc 0
61 mol 127 unq 3 iso 1 dist 9.81878 14.085 6.3244 14.7391 7.11695 7.66331 numMergedOcc 0
62 mol 155 unq 0 iso 0 dist 9.17284 6.3845 6.51096 6.23493 4.9093 7.16254 numMergedOcc 0
63 mol 155 unq 0 iso 1 dist 7.16254 4.9093 6.51096 6.23493 6.3845 9.17284 numMergedOcc 0
64 mol 155 unq 1 iso 0 dist 9.17284 6.3845 6.51096 7.46303 6.3437 9.14392 numMergedOcc 0
65 mol 155 unq 1 iso 1 dist 9.14392 6.3437 6.51096 7.46303 6.3845 9.17284 numMergedOcc 0
66 mol 155 unq 2 iso 0 dist 9.87281 5.48883 6.51096 12.1555 4.9093 7.16254 numMergedOcc 0
67 mol 155 unq 2 iso 1 dist 7.16254 4.9093 6.51096 12.1555 5.48883 9.87281 numMergedOcc 0
68 mol 155 unq 3 iso 0 dist 9.87281 5.48883 6.51096 12.3052 6.3437 9.14392 numMergedOcc 0
69 mol 155 unq 3 iso 1 dist 9.14392 6.3437 6.51096 12.3052 5.48883 9.87281 numMergedOcc 0
70 mol 155 unq 4 iso 0 dist 8.87452 5.77564 6.51096 11.6934 4.9093 7.16254 numMergedOcc 0
71 mol 155 unq 4 iso 1 dist 7.16254 4.9093 6.51096 11.6934 5.77564 8.87452 numMergedOcc 0
72 mol 155 unq 5 iso 0 dist 8.87452 5.77564 6.51096 13.4817 6.3437 9.14392 numMergedOcc 0
73 mol 155 unq 5 iso 1 dist 9.14392 6.3437 6.51096 13.4817 5.77564 8.87452 numMergedOcc 0
74 mol 155 unq 5 iso 0 dist 7.16254 10.7896 8.73171 12.1555 5.48883 8.27111 numMergedOcc 0
75 mol 155 unq 5 iso 1 dist 8.27111 5.48883 8.73171 12.1555 10.7896 7.16254 numMergedOcc 0
76 mol 155 unq 6 iso 0 dist 7.16254 10.7896 8.73171 11.6934 5.77564 7.68368 numMergedOcc 0
77 mol 155 unq 6 iso 1 dist 7.68368 5.77564 8.73171 11.6934 10.7896 7.16254 numMergedOcc 0
78 mol 155 unq 7 iso 0 dist 9.86313 13.5062 7.37901 13.5605 5.40375 7.39644 numMergedOcc 0
79 mol 155 unq 7 iso 1 dist 7.39644 5.40375 7.37901 13.5605 13.5062 9.86313 numMergedOcc 0
80 mol 155 unq 8 iso 0 dist 9.86313 13.5062 7.37901 10.2463 6.34186 7.36102 numMergedOcc 0
81 mol 155 unq 8 iso 1 dist 7.36102 6.34186 7.37901 10.2463 13.5062 9.86313 numMergedOcc 0
82 mol 155 unq 6 iso 0 dist 9.14392 9.99927 8.73171 12.3052 5.48883 8.27111 numMergedOcc 0
83 mol 155 unq 6 iso 1 dist 8.27111 5.48883 8.73171 12.3052 9.99927 9.14392 numMergedOcc 0
84 mol 155 unq 7 iso 0 dist 9.14392 9.99927 8.73171 13.4817 5.77564 7.68368 numMergedOcc 0
85 mol 155 unq 7 iso 1 dist 7.68368 5.77564 8.73171 13.4817 9.99927 9.14392 numMergedOcc 0
86 mol 155 unq 8 iso 0 dist 7.51198 8.27726 7.37901 10.7829 5.40375 7.39644 numMergedOcc 0
87 mol 155 unq 8 iso 1 dist 7.39644 5.40375 7.37901 10.7829 8.27726 7.51198 numMergedOcc 0
88 mol 155 unq 9 iso 0 dist 7.51198 8.27726 7.37901 6.43582 6.34186 7.36102 numMergedOcc 0
89 mol 155 unq 9 iso 1 dist 7.36102 6.34186 7.37901 6.43582 8.27726 7.51198 numMergedOcc 0
90 mol 156 unq 0 iso 0 dist 8.47155 9.30783 6.90155 10.4649 6.29785 6.27641 numMergedOcc 0
91 mol 156 unq 0 iso 1 dist 6.27641 6.29785 6.90155 10.4649 9.30783 8.47155 numMergedOcc 0
92 mol 156 unq 1 iso 0 dist 9.36805 7.29758 6.90155 7.44554 6.29785 6.27641 numMergedOcc 0
93 mol 156 unq 1 iso 1 dist 6.27641 6.29785 6.90155 7.44554 7.29758 9.36805 numMergedOcc 0
94 mol 156 unq 2 iso 0 dist 6.27641 6.29785 6.90155 9.83699 4.53931 7.55203 numMergedOcc 0
95 mol 156 unq 2 iso 1 dist 7.55203 4.53931 6.90155 9.83699 6.29785 6.27641 numMergedOcc 0
96 mol 175 unq 0 iso 0 dist 9.31887 8.22779 4.79852 9.0018 11.0415 9.8589 numMergedOcc 0
97 mol 175 unq 0 iso 1 dist 9.8589 11.0415 4.79852 9.0018 8.22779 9.31887 numMergedOcc 0
98 mol 175 unq 1 iso 0 dist 9.31887 8.22779 4.79852 7.652 5.0384 7.24908 numMergedOcc 0
99 mol 175 unq 1 iso 1 dist 7.24908 5.0384 4.79852 7.652 8.22779 9.31887 numMergedOcc 0
100 mol 181 unq 0 iso 0 dist 6.94688 8.25067 8.20656 9.15386 6.80228 9.6668 numMergedOcc 0
101 mol 181 unq 0 iso 1 dist 9.6668 6.80228 8.20656 9.15386 8.25067 6.94688 numMergedOcc 0
102 mol 181 unq 1 iso 0 dist 6.71012 8.25067 9.40622 9.15386 11.6919 9.6668 numMergedOcc 0
103 mol 181 unq 1 iso 1 dist 9.6668 11.6919 9.40622 9.15386 8.25067 6.71012 numMergedOcc 0
104 mol 213 unq 0 iso 0 dist 8.45368 11.1059 8.74171 16.7686 11.1063 6.68292 numMergedOcc 0
105 mol 213 unq 0 iso 1 dist 6.68292 11.1063 8.74171 16.7686 11.1059 8.45368 numMergedOcc 0
106 mol 213 unq 1 iso 0 dist 9.59129 12.2579 8.74171 12.9274 11.1063 6.68292 numMergedOcc 0
107 mol 213 unq 1 iso 1 dist 6.68292 11.1063 8.74171 12.9274 12.2579 9.59129 numMergedOcc 0
108 mol 218 unq 0 iso 0 dist 7.17547 10.2673 6.75035 10.9501 7.47048 8.53199 numMergedOcc 0
109 mol 218 unq 0 iso 1 dist 8.53199 7.47048 6.75035 10.9501 10.2673 7.17547 numMergedOcc 0
110 mol 218 unq 1 iso 0 dist 7.13323 6.60235 6.75035 12.8943 7.47048 8.53199 numMergedOcc 0
111 mol 218 unq 1 iso 1 dist 8.53199 7.47048 6.75035 12.8943 6.60235 7.13323 numMergedOcc 0
112 mol 224 unq 0 iso 0 dist 7.06793 7.98696 8.89778 8.95269 9.36098 6.87664 numMergedOcc 0
113 mol 224 unq 0 iso 1 dist 6.87664 9.36098 8.89778 8.95269 7.98696 7.06793 numMergedOcc 0
114 mol 224 unq 1 iso 0 dist 6.67585 7.98696 9.47554 8.95269 5.29877 6.87664 numMergedOcc 0
115 mol 224 unq 1 iso 1 dist 6.87664 5.29877 9.47554 8.95269 7.98696 6.67585 numMergedOcc 0
116 mol 224 unq 2 iso 0 dist 6.65984 7.12232 9.47554 6.57273 5.29877 6.87664 numMergedOcc 0
117 mol 224 unq 2 iso 1 dist 6.87664 5.29877 9.47554 6.57273 7.12232 6.65984 numMergedOcc 0
118 mol 234 unq 0 iso 0 dist 9.5707 5.56749 8.49841 10.3625 5.9221 6.16063 numMergedOcc 0
119 mol 234 unq 0 iso 1 dist 6.16063 5.9221 8.49841 10.3625 5.56749 9.5707 numMergedOcc 0
120 mol 235 unq 0 iso 0 dist 5.65339 6.43692 7.27958 11.3258 10.6981 8.21247 numMergedOcc 0
121 mol 235 unq 0 iso 1 dist 8.21247 10.6981 7.27958 11.3258 6.43692 5.65339 numMergedOcc 0
122 mol 239 unq 0 iso 0 dist 7.39747 7.04058 6.34801 7.00034 6.26168 7.20082 numMergedOcc 0
123 mol 239 unq 0 iso 1 dist 7.20082 6.26168 6.34801 7.00034 7.04058 7.39747 numMergedOcc 0
124 mol 274 unq 0 iso 0 dist 6.50589 5.31116 8.49866 10.7806 14.168 9.19234 numMergedOcc 0
125 mol 274 unq 0 iso 1 dist 9.19234 14.168 8.49866 10.7806 5.31116 6.50589 numMergedOcc 0
