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1 mol 15 unq 0 iso 1 dist 9.20338 11.6322 7.12903 11.7203 8.21493 9.03536 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 5.77753 5.38671 7.03948 5.45161 5.47769 6.92781 numMergedOcc 0
3 mol 16 unq 0 iso 1 dist 5.77753 5.45161 5.47769 5.38671 7.03948 6.92781 numMergedOcc 0
4 mol 16 unq 1 iso 0 dist 5.77753 5.38671 7.03948 6.43294 6.58035 10.7015 numMergedOcc 0
5 mol 16 unq 1 iso 1 dist 5.77753 6.43294 6.58035 5.38671 7.03948 10.7015 numMergedOcc 0
6 mol 16 unq 1 iso 0 dist 5.77753 5.45161 5.47769 6.43294 6.58035 5.32694 numMergedOcc 0
7 mol 16 unq 1 iso 1 dist 5.77753 6.43294 6.58035 5.45161 5.47769 5.32694 numMergedOcc 0
8 mol 19 unq 0 iso 0 dist 9.04865 12.4435 8.23643 9.84922 8.73972 5.03957 numMergedOcc 0
9 mol 19 unq 0 iso 1 dist 9.04865 9.84922 8.73972 12.4435 8.23643 5.03957 numMergedOcc 0
10 mol 45 unq 0 iso 0 dist 6.94727 5.2876 6.99408 5.28153 9.3403 6.11102 numMergedOcc 0
11 mol 45 unq 0 iso 1 dist 6.94727 5.28153 9.3403 5.2876 6.99408 6.11102 numMergedOcc 0
12 mol 73 unq 0 iso 0 dist 6.4154 10.4716 8.70133 8.04817 5.64598 7.4697 numMergedOcc 0
13 mol 73 unq 0 iso 1 dist 6.4154 8.04817 5.64598 10.4716 8.70133 7.4697 numMergedOcc 0
14 mol 73 unq 1 iso 0 dist 6.4154 10.4716 8.70133 5.2774 4.65521 5.4148 numMergedOcc 0
15 mol 73 unq 1 iso 1 dist 6.4154 5.2774 4.65521 10.4716 8.70133 5.4148 numMergedOcc 0
16 mol 73 unq 1 iso 0 dist 6.4154 8.04817 5.64598 5.2774 4.65521 5.7113 numMergedOcc 0
17 mol 73 unq 1 iso 1 dist 6.4154 5.2774 4.65521 8.04817 5.64598 5.7113 numMergedOcc 0
18 mol 100 unq 0 iso 0 dist 9.82043 5.2995 6.58204 7.58985 7.75343 5.88134 numMergedOcc 0
19 mol 100 unq 0 iso 1 dist 9.82043 7.58985 7.75343 5.2995 6.58204 5.88134 numMergedOcc 0
20 mol 115 unq 0 iso 0 dist 5.60716 5.56084 6.87861 5.71451 6.50039 10.4294 numMergedOcc 0
21 mol 115 unq 0 iso 1 dist 5.60716 5.71451 6.50039 5.56084 6.87861 10.4294 numMergedOcc 0
22 mol 115 unq 1 iso 0 dist 5.52706 6.98664 6.87861 5.889 6.50039 10.4294 numMergedOcc 0
23 mol 115 unq 1 iso 1 dist 5.52706 5.889 6.50039 6.98664 6.87861 10.4294 numMergedOcc 0
24 mol 127 unq 0 iso 0 dist 8.20636 6.93078 6.192 10.6558 7.69308 5.30124 numMergedOcc 0
25 mol 127 unq 0 iso 1 dist 8.20636 10.6558 7.69308 6.93078 6.192 5.30124 numMergedOcc 0
26 mol 127 unq 1 iso 0 dist 8.20636 6.93078 6.192 16.0489 8.59981 11.279 numMergedOcc 0
27 mol 127 unq 1 iso 1 dist 8.20636 16.0489 8.59981 6.93078 6.192 11.279 numMergedOcc 0
28 mol 127 unq 2 iso 0 dist 8.20636 6.93078 6.192 12.8217 7.66331 8.77327 numMergedOcc 0
29 mol 127 unq 2 iso 1 dist 8.20636 12.8217 7.66331 6.93078 6.192 8.77327 numMergedOcc 0
30 mol 127 unq 1 iso 0 dist 8.20636 10.6558 7.69308 16.0489 8.59981 11.4958 numMergedOcc 0
31 mol 127 unq 1 iso 1 dist 8.20636 16.0489 8.59981 10.6558 7.69308 11.4958 numMergedOcc 0
32 mol 127 unq 2 iso 0 dist 8.20636 10.6558 7.69308 12.8217 7.66331 11.521 numMergedOcc 0
33 mol 127 unq 2 iso 1 dist 8.20636 12.8217 7.66331 10.6558 7.69308 11.521 numMergedOcc 0
34 mol 127 unq 2 iso 0 dist 8.20636 16.0489 8.59981 12.8217 7.66331 5.55757 numMergedOcc 0
35 mol 127 unq 2 iso 1 dist 8.20636 12.8217 7.66331 16.0489 8.59981 5.55757 numMergedOcc 0
36 mol 127 unq 3 iso 0 dist 8.03243 12.3873 6.192 9.8591 7.69308 5.30124 numMergedOcc 0
37 mol 127 unq 3 iso 1 dist 8.03243 9.8591 7.69308 12.3873 6.192 5.30124 numMergedOcc 0
38 mol 127 unq 4 iso 0 dist 8.03243 12.3873 6.192 9.75166 8.59981 11.279 numMergedOcc 0
39 mol 127 unq 4 iso 1 dist 8.03243 9.75166 8.59981 12.3873 6.192 11.279 numMergedOcc 0
40 mol 127 unq 5 iso 0 dist 8.03243 12.3873 6.192 12.9471 7.66331 8.77327 numMergedOcc 0
41 mol 127 unq 5 iso 1 dist 8.03243 12.9471 7.66331 12.3873 6.192 8.77327 numMergedOcc 0
42 mol 127 unq 4 iso 0 dist 8.03243 9.8591 7.69308 9.75166 8.59981 11.4958 numMergedOcc 0
43 mol 127 unq 4 iso 1 dist 8.03243 9.75166 8.59981 9.8591 7.69308 11.4958 numMergedOcc 0
44 mol 127 unq 5 iso 0 dist 8.03243 9.8591 7.69308 12.9471 7.66331 11.521 numMergedOcc 0
45 mol 127 unq 5 iso 1 dist 8.03243 12.9471 7.66331 9.8591 7.69308 11.521 numMergedOcc 0
46 mol 127 unq 5 iso 0 dist 8.03243 9.75166 8.59981 12.9471 7.66331 5.55757 numMergedOcc 0
47 mol 127 unq 5 iso 1 dist 8.03243 12.9471 7.66331 9.75166 8.59981 5.55757 numMergedOcc 0
48 mol 130 unq 0 iso 0 dist 9.03277 5.72266 6.79146 5.96312 7.66168 7.01619 numMergedOcc 0
49 mol 130 unq 0 iso 1 dist 9.03277 5.96312 7.66168 5.72266 6.79146 7.01619 numMergedOcc 0
50 mol 130 unq 1 iso 0 dist 9.03277 5.72266 6.79146 10.8983 6.89257 6.83397 numMergedOcc 0
51 mol 130 unq 1 iso 1 dist 9.03277 10.8983 6.89257 5.72266 6.79146 6.83397 numMergedOcc 0
52 mol 130 unq 1 iso 0 dist 9.03277 5.96312 7.66168 10.8983 6.89257 7.50049 numMergedOcc 0
53 mol 130 unq 1 iso 1 dist 9.03277 10.8983 6.89257 5.96312 7.66168 7.50049 numMergedOcc 0
54 mol 134 unq 0 iso 0 dist 8.33489 15.8885 8.94837 10.3334 7.77454 7.93571 numMergedOcc 0
55 mol 134 unq 0 iso 1 dist 8.33489 10.3334 7.77454 15.8885 8.94837 7.93571 numMergedOcc 0
56 mol 155 unq 0 iso 0 dist 5.64806 6.68061 7.16254 11.0287 9.14392 5.71071 numMergedOcc 0
57 mol 155 unq 0 iso 1 dist 5.64806 11.0287 9.14392 6.68061 7.16254 5.71071 numMergedOcc 0
58 mol 173 unq 0 iso 0 dist 9.25763 15.2665 7.93331 12.006 6.98095 4.83994 numMergedOcc 0
59 mol 173 unq 0 iso 1 dist 9.25763 12.006 6.98095 15.2665 7.93331 4.83994 numMergedOcc 0
60 mol 173 unq 1 iso 0 dist 9.25763 15.2665 7.93331 14.7376 8.31897 5.16343 numMergedOcc 0
61 mol 173 unq 1 iso 1 dist 9.25763 14.7376 8.31897 15.2665 7.93331 5.16343 numMergedOcc 0
62 mol 173 unq 1 iso 0 dist 9.25763 12.006 6.98095 14.7376 8.31897 8.17887 numMergedOcc 0
63 mol 173 unq 1 iso 1 dist 9.25763 14.7376 8.31897 12.006 6.98095 8.17887 numMergedOcc 0
64 mol 173 unq 2 iso 0 dist 9.63102 14.1226 7.93331 11.6705 6.98095 4.83994 numMergedOcc 0
65 mol 173 unq 2 iso 1 dist 9.63102 11.6705 6.98095 14.1226 7.93331 4.83994 numMergedOcc 0
66 mol 173 unq 3 iso 0 dist 9.63102 14.1226 7.93331 12.3698 8.31897 5.16343 numMergedOcc 0
67 mol 173 unq 3 iso 1 dist 9.63102 12.3698 8.31897 14.1226 7.93331 5.16343 numMergedOcc 0
68 mol 173 unq 3 iso 0 dist 9.63102 11.6705 6.98095 12.3698 8.31897 8.17887 numMergedOcc 0
69 mol 173 unq 3 iso 1 dist 9.63102 12.3698 8.31897 11.6705 6.98095 8.17887 numMergedOcc 0
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71 mol 184 unq 0 iso 1 dist 5.59438 6.87845 9.15417 9.56234 9.52936 5.43299 numMergedOcc 0
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73 mol 194 unq 0 iso 1 dist 5.40592 11.4735 8.38695 5.03763 6.47873 8.48054 numMergedOcc 0
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83 mol 228 unq 1 iso 1 dist 9.58356 14.6816 7.65132 6.29965 8.06181 11.1899 numMergedOcc 0
84 mol 228 unq 2 iso 0 dist 9.58356 6.29965 8.06181 6.01863 8.53764 5.93014 numMergedOcc 0
85 mol 228 unq 2 iso 1 dist 9.58356 6.01863 8.53764 6.29965 8.06181 5.93014 numMergedOcc 0
86 mol 228 unq 1 iso 0 dist 9.58356 10.5936 8.38048 14.6816 7.65132 7.09673 numMergedOcc 0
87 mol 228 unq 1 iso 1 dist 9.58356 14.6816 7.65132 10.5936 8.38048 7.09673 numMergedOcc 0
88 mol 228 unq 2 iso 0 dist 9.58356 10.5936 8.38048 6.01863 8.53764 6.61579 numMergedOcc 0
89 mol 228 unq 2 iso 1 dist 9.58356 6.01863 8.53764 10.5936 8.38048 6.61579 numMergedOcc 0
90 mol 228 unq 2 iso 0 dist 9.58356 14.6816 7.65132 6.01863 8.53764 10.2985 numMergedOcc 0
91 mol 228 unq 2 iso 1 dist 9.58356 6.01863 8.53764 14.6816 7.65132 10.2985 numMergedOcc 0
92 mol 228 unq 3 iso 0 dist 9.29522 6.30523 7.77367 10.5683 8.20909 5.42695 numMergedOcc 0
93 mol 228 unq 3 iso 1 dist 9.29522 10.5683 8.20909 6.30523 7.77367 5.42695 numMergedOcc 0
94 mol 228 unq 4 iso 0 dist 9.29522 6.30523 7.77367 14.9669 7.94506 11.3702 numMergedOcc 0
95 mol 228 unq 4 iso 1 dist 9.29522 14.9669 7.94506 6.30523 7.77367 11.3702 numMergedOcc 0
96 mol 228 unq 5 iso 0 dist 9.29522 6.30523 7.77367 6.21036 8.15494 6.001 numMergedOcc 0
97 mol 228 unq 5 iso 1 dist 9.29522 6.21036 8.15494 6.30523 7.77367 6.001 numMergedOcc 0
98 mol 228 unq 4 iso 0 dist 9.29522 10.5683 8.20909 14.9669 7.94506 7.22215 numMergedOcc 0
99 mol 228 unq 4 iso 1 dist 9.29522 14.9669 7.94506 10.5683 8.20909 7.22215 numMergedOcc 0
100 mol 228 unq 5 iso 0 dist 9.29522 10.5683 8.20909 6.21036 8.15494 6.44695 numMergedOcc 0
101 mol 228 unq 5 iso 1 dist 9.29522 6.21036 8.15494 10.5683 8.20909 6.44695 numMergedOcc 0
102 mol 228 unq 5 iso 0 dist 9.29522 14.9669 7.94506 6.21036 8.15494 10.3635 numMergedOcc 0
103 mol 228 unq 5 iso 1 dist 9.29522 6.21036 8.15494 14.9669 7.94506 10.3635 numMergedOcc 0
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105 mol 235 unq 0 iso 1 dist 8.60471 10.2835 9.43058 5.47633 9.58736 9.85037 numMergedOcc 0
106 mol 235 unq 1 iso 0 dist 8.60471 5.47633 9.58736 12.4425 8.75735 13.6669 numMergedOcc 0
107 mol 235 unq 1 iso 1 dist 8.60471 12.4425 8.75735 5.47633 9.58736 13.6669 numMergedOcc 0
108 mol 235 unq 2 iso 0 dist 8.60471 5.47633 9.58736 15.2767 6.98084 16.4493 numMergedOcc 0
109 mol 235 unq 2 iso 1 dist 8.60471 15.2767 6.98084 5.47633 9.58736 16.4493 numMergedOcc 0
110 mol 235 unq 3 iso 0 dist 8.60471 5.47633 9.58736 11.9322 7.32211 15.4 numMergedOcc 0
111 mol 235 unq 3 iso 1 dist 8.60471 11.9322 7.32211 5.47633 9.58736 15.4 numMergedOcc 0
112 mol 235 unq 1 iso 0 dist 8.60471 10.2835 9.43058 12.4425 8.75735 5.52217 numMergedOcc 0
113 mol 235 unq 1 iso 1 dist 8.60471 12.4425 8.75735 10.2835 9.43058 5.52217 numMergedOcc 0
114 mol 235 unq 2 iso 0 dist 8.60471 10.2835 9.43058 15.2767 6.98084 14.4362 numMergedOcc 0
115 mol 235 unq 2 iso 1 dist 8.60471 15.2767 6.98084 10.2835 9.43058 14.4362 numMergedOcc 0
116 mol 235 unq 3 iso 0 dist 8.60471 10.2835 9.43058 11.9322 7.32211 14.4107 numMergedOcc 0
117 mol 235 unq 3 iso 1 dist 8.60471 11.9322 7.32211 10.2835 9.43058 14.4107 numMergedOcc 0
118 mol 235 unq 2 iso 0 dist 8.60471 12.4425 8.75735 15.2767 6.98084 11.3519 numMergedOcc 0
119 mol 235 unq 2 iso 1 dist 8.60471 15.2767 6.98084 12.4425 8.75735 11.3519 numMergedOcc 0
120 mol 235 unq 3 iso 0 dist 8.60471 12.4425 8.75735 11.9322 7.32211 11.3789 numMergedOcc 0
121 mol 235 unq 3 iso 1 dist 8.60471 11.9322 7.32211 12.4425 8.75735 11.3789 numMergedOcc 0
122 mol 235 unq 3 iso 0 dist 8.60471 15.2767 6.98084 11.9322 7.32211 7.218 numMergedOcc 0
123 mol 235 unq 3 iso 1 dist 8.60471 11.9322 7.32211 15.2767 6.98084 7.218 numMergedOcc 0
124 mol 238 unq 0 iso 0 dist 8.61709 5.79022 6.05141 10.8459 8.09066 5.6348 numMergedOcc 0
125 mol 238 unq 0 iso 1 dist 8.61709 10.8459 8.09066 5.79022 6.05141 5.6348 numMergedOcc 0
126 mol 238 unq 1 iso 0 dist 8.61709 5.79022 6.05141 13.1103 7.2766 8.87326 numMergedOcc 0
127 mol 238 unq 1 iso 1 dist 8.61709 13.1103 7.2766 5.79022 6.05141 8.87326 numMergedOcc 0
128 mol 238 unq 1 iso 0 dist 8.61709 10.8459 8.09066 13.1103 7.2766 5.31152 numMergedOcc 0
129 mol 238 unq 1 iso 1 dist 8.61709 13.1103 7.2766 10.8459 8.09066 5.31152 numMergedOcc 0
130 mol 282 unq 0 iso 0 dist 5.2527 4.85461 6.85028 8.85797 7.32347 5.39891 numMergedOcc 0
131 mol 282 unq 0 iso 1 dist 5.2527 8.85797 7.32347 4.85461 6.85028 5.39891 numMergedOcc 0
132 mol 282 unq 1 iso 0 dist 5.2527 4.85461 6.85028 5.43514 8.3411 7.76539 numMergedOcc 0
133 mol 282 unq 1 iso 1 dist 5.2527 5.43514 8.3411 4.85461 6.85028 7.76539 numMergedOcc 0
134 mol 282 unq 1 iso 0 dist 5.2527 8.85797 7.32347 5.43514 8.3411 10.5372 numMergedOcc 0
135 mol 282 unq 1 iso 1 dist 5.2527 5.43514 8.3411 8.85797 7.32347 10.5372 numMergedOcc 0
