-
Notifications
You must be signed in to change notification settings - Fork 7
/
Copy pathRDX.xyz
170 lines (169 loc) · 7.06 KB
/
RDX.xyz
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
168
C 2.42420000 4.14120000 4.71200000
C 0.66310000 2.82410000 3.63570000
C 1.96020000 4.41320000 2.31210000
N 2.32140000 5.04630000 3.56610000
N 1.15610000 3.46760000 4.85870000
N 0.70660000 3.72910000 2.49410000
N 2.97910000 6.22570000 3.58320000
N 0.20430000 4.07980000 5.66930000
N -0.43900000 4.48490000 2.22530000
O 2.99230000 6.86570000 2.55730000
O 3.49190000 6.58210000 4.64560000
O -0.91350000 3.63660000 5.63510000
O 0.59850000 4.94330000 6.41470000
O -1.47770000 4.09030000 2.68150000
O -0.31110000 5.42940000 1.48860000
H 3.16500000 3.40740000 4.52560000
H 2.65350000 4.70830000 5.61580000
H -0.34410000 2.45020000 3.79100000
H 1.33800000 2.00000000 3.41830000
H 2.70490000 3.66430000 2.05290000
H 1.89820000 5.12960000 1.51320000
C 4.16680000 7.43280000 10.06650000
C 5.92790000 8.74990000 8.99020000
C 4.63080000 7.16080000 7.66660000
N 4.26960000 6.52770000 8.92060000
N 5.43490000 8.10640000 10.21320000
N 5.88440000 7.84490000 7.84860000
N 3.61190000 5.34830000 8.93770000
N 6.38670000 7.49420000 11.02380000
N 7.03000000 7.08910000 7.57980000
O 3.59870000 4.70830000 7.91180000
O 3.09910000 4.99190000 10.00010000
O 7.50450000 7.93740000 10.98960000
O 5.99250000 6.63070000 11.76920000
O 8.06870000 7.48370000 8.03600000
O 6.90210000 6.14460000 6.84310000
H 3.42600000 8.16660000 9.88010000
H 3.93750000 6.86570000 10.97030000
H 6.93510000 9.12380000 9.14550000
H 5.25300000 9.57400000 8.77280000
H 3.88610000 7.90970000 7.40740000
H 4.69280000 6.44440000 6.86770000
C 9.01520000 1.64580000 5.99700000
C 7.25410000 2.96290000 7.07330000
C 8.55120000 1.37380000 8.39690000
N 8.91240000 0.74070000 7.14290000
N 7.74710000 2.31940000 5.85030000
N 7.29760000 2.05790000 8.21490000
N 9.57010000 -0.43870000 7.12580000
N 6.79530000 1.70720000 5.03970000
N 6.15200000 1.30210000 8.48370000
O 9.58330000 -1.07870000 8.15170000
O 10.08290000 -0.79510000 6.06340000
O 5.67750000 2.15040000 5.07390000
O 7.18950000 0.84370000 4.29430000
O 5.11330000 1.69670000 8.02750000
O 6.27990000 0.35760000 9.22040000
H 9.75600000 2.37960000 6.18340000
H 9.24450000 1.07870000 5.09320000
H 6.24690000 3.33680000 6.91800000
H 7.92900000 3.78700000 7.29070000
H 9.29590000 2.12270000 8.65610000
H 8.48920000 0.65740000 9.19580000
C 10.75780000 9.92820000 0.64250000
C 12.51890000 8.61110000 1.71880000
C 11.22180000 10.20020000 3.04240000
N 10.86060000 10.83330000 1.78840000
N 12.02590000 9.25460000 0.49580000
N 12.47540000 9.51610000 2.86040000
N 10.20290000 12.01270000 1.77130000
N 12.97770000 9.86680000 -0.31480000
N 13.62100000 10.27190000 3.12920000
O 10.18970000 12.65270000 2.79720000
O 9.69010000 12.36910000 0.70890000
O 14.09550000 9.42360000 -0.28060000
O 12.58350000 10.73030000 -1.06020000
O 14.65970000 9.87730000 2.67300000
O 13.49310000 11.21640000 3.86590000
H 10.01700000 9.19440000 0.82890000
H 10.52850000 10.49530000 -0.26130000
H 13.52610000 8.23720000 1.56350000
H 11.84400000 7.78700000 1.93620000
H 10.47710000 9.45130000 3.30160000
H 11.28380000 10.91660000 3.84130000
C 10.75780000 7.43280000 5.99700000
C 12.51890000 8.74990000 7.07330000
C 11.22180000 7.16080000 8.39690000
N 10.86060000 6.52770000 7.14290000
N 12.02590000 8.10640000 5.85030000
N 12.47540000 7.84490000 8.21490000
N 10.20290000 5.34830000 7.12580000
N 12.97770000 7.49420000 5.03970000
N 13.62100000 7.08910000 8.48370000
O 10.18970000 4.70830000 8.15170000
O 9.69010000 4.99190000 6.06340000
O 14.09550000 7.93740000 5.07390000
O 12.58350000 6.63070000 4.29430000
O 14.65970000 7.48370000 8.02750000
O 13.49310000 6.14460000 9.22040000
H 10.01700000 8.16660000 6.18340000
H 10.52850000 6.86570000 5.09320000
H 13.52610000 9.12380000 6.91800000
H 11.84400000 9.57400000 7.29070000
H 10.47710000 7.90970000 8.65610000
H 11.28380000 6.44440000 9.19580000
C 9.01520000 4.14120000 0.64250000
C 7.25410000 2.82410000 1.71880000
C 8.55120000 4.41320000 3.04240000
N 8.91240000 5.04630000 1.78840000
N 7.74710000 3.46760000 0.49580000
N 7.29760000 3.72910000 2.86040000
N 9.57010000 6.22570000 1.77130000
N 6.79530000 4.07980000 -0.31480000
N 6.15200000 4.48490000 3.12920000
O 9.58330000 6.86570000 2.79720000
O 10.08290000 6.58210000 0.70890000
O 5.67750000 3.63660000 -0.28060000
O 7.18950000 4.94330000 -1.06020000
O 5.11330000 4.09030000 2.67300000
O 6.27990000 5.42940000 3.86590000
H 9.75600000 3.40740000 0.82890000
H 9.24450000 4.70830000 -0.26130000
H 6.24690000 2.45020000 1.56350000
H 7.92900000 2.00000000 1.93620000
H 9.29590000 3.66430000 3.30160000
H 8.48920000 5.12960000 3.84130000
C 4.16680000 9.92820000 4.71200000
C 5.92790000 8.61110000 3.63570000
C 4.63080000 10.20020000 2.31210000
N 4.26960000 10.83330000 3.56610000
N 5.43490000 9.25460000 4.85870000
N 5.88440000 9.51610000 2.49410000
N 3.61190000 12.01270000 3.58320000
N 6.38670000 9.86680000 5.66930000
N 7.03000000 10.27190000 2.22530000
O 3.59870000 12.65270000 2.55730000
O 3.09910000 12.36910000 4.64560000
O 7.50450000 9.42360000 5.63510000
O 5.99250000 10.73030000 6.41470000
O 8.06870000 9.87730000 2.68150000
O 6.90210000 11.21640000 1.48860000
H 3.42600000 9.19440000 4.52560000
H 3.93750000 10.49530000 5.61580000
H 6.93510000 8.23720000 3.79100000
H 5.25300000 7.78700000 3.41830000
H 3.88610000 9.45130000 2.05290000
H 4.69280000 10.91660000 1.51320000
C 2.42420000 1.64580000 10.06650000
C 0.66310000 2.96290000 8.99020000
C 1.96020000 1.37380000 7.66660000
N 2.32140000 0.74070000 8.92060000
N 1.15610000 2.31940000 10.21320000
N 0.70660000 2.05790000 7.84860000
N 2.97910000 -0.43870000 8.93770000
N 0.20430000 1.70720000 11.02380000
N -0.43900000 1.30210000 7.57980000
O 2.99230000 -1.07870000 7.91180000
O 3.49190000 -0.79510000 10.00010000
O -0.91350000 2.15040000 10.98960000
O 0.59850000 0.84370000 11.76920000
O -1.47770000 1.69670000 8.03600000
O -0.31110000 0.35760000 6.84310000
H 3.16500000 2.37960000 9.88010000
H 2.65350000 1.07870000 10.97030000
H -0.34410000 3.33680000 9.14550000
H 1.33800000 3.78700000 8.77280000
H 2.70490000 2.12270000 7.40740000
H 1.89820000 0.65740000 6.86770000