Biomedical Engineering Reference
In-Depth Information
density functional and the MIDIY+ basis set.
Bond
Angle
Bond
Angle
Bond
Angle
Bond
Angle
A(2-1-3)
115.0
A(6-7-8)
114.5
A(12-16-19)
120.1
A(28-29-32)
110.0
A(2-1-28)
121.8
A(6-7-9)
129.3
A(16-14-18)
119.8
A(28-29-33)
111.7
A(1-2-6)
105.2
A(8-7-9)
116.2
A(14-16-19)
120.0
A(31-29-32)
108.1
A(3-1-28)
123.2
A(7-9-10)
117.8
A(21-20-22)
110.1
A(31-29-33)
112.0
A(1-3-4)
107.8
A(7-9-11)
123.3
A(20-21-5)
112.2
A(29-31-35)
108.0
A(1-3-20)
126.6
A(10-9-11)
118.9
A(20-22-23)
113.0
A(29-31-36)
108.5
A(1-28-29)
117.0
A(9-10-12)
120.9
A(20-22-24)
106.8
A(29-31-34)
101.5
A(1-28-30)
122.2
A(9-10-13)
119.2
A(20-22-25)
108.9
A(32-29-33)
110.5
A(2-6-4)
109.2
A(9-11-14)
120.1
A(23-22-24)
108.6
A(29-33-37)
109.8
A(2-6-7)
128.3
A(9-11-15)
119.1
A(23-22-25)
111.9
A(29-33-38)
110.7
A(4-3-20)
122.1
A(12-10-13)
119.9
A(22-23-26)
120.7
A(29-33-39)
109.3
A(3-4-5)
124.5
A(10-12-16)
119.8
A(22-23-27)
117.2
A(35-31-36)
106.6
A(3-4-6)
102.6
A(10-12-17)
120.0
A(24-22-25)
107.4
A(35-31-34)
112.4
A(3-20-21)
102.0
A(14-11-15)
120.8
A(26-23-27)
122.1
A(36-31-34)
119.3
A(3-20-22)
110.4
A(11-14-16)
120.5
A(23-27-34)
114.7
A(37-33-38)
108.9
A(5-4-6)
132.9
A(11-14-18)
119.7
A(27-34-31)
157.7
A(37-33-39)
106.4
A(4-5-21)
77.7
A(16-12-17)
120.3
A(29-28-30)
120.6
A(38-33-39)
111.8
A(4-6-7)
122.5
A(12-16-14)
119.9
A(28-29-31)
104.5
A(33-39-40)
109.4
