JQZ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N1 | C1 | sing | 0.00Å | 1.35Å | |
N1 | C2 | sing | 0.00Å | 1.39Å | |
N3 | C5 | sing | 0.00Å | 1.40Å | Aromatic |
N3 | C32 | sing | 0.00Å | 33.44Å | Aromatic |
N3 | C14 | sing | 0.00Å | 1.51Å | |
C4 | C32 | sing | 0.00Å | 34.70Å | Aromatic |
C4 | N2 | doub | 0.00Å | 1.36Å | |
C4 | N4 | sing | 0.00Å | 1.40Å | Aromatic |
C5 | C6 | doub | 0.00Å | 1.39Å | Aromatic |
C5 | C7 | sing | 0.00Å | 1.43Å | Aromatic |
C6 | C10 | sing | 0.00Å | 1.40Å | Aromatic |
C6 | N4 | sing | 0.00Å | 1.42Å | Aromatic |
C7 | C8 | doub | 0.00Å | 1.41Å | Aromatic |
C7 | C15 | sing | 0.00Å | 1.53Å | |
C8 | C9 | sing | 0.00Å | 1.41Å | Aromatic |
C8 | C12 | sing | 0.00Å | 1.50Å | |
C10 | C9 | doub | 0.00Å | 1.37Å | Aromatic |
C13 | N4 | sing | 0.00Å | 1.46Å | |
C13 | C19 | sing | 0.00Å | 1.50Å | |
C15 | C17 | sing | 0.00Å | 1.53Å | |
C15 | C16 | sing | 0.00Å | 1.53Å | |
C15 | C18 | sing | 0.00Å | 1.55Å | |
C20 | C21 | sing | 0.00Å | 1.50Å | |
C20 | C19 | sing | 0.00Å | 1.53Å | |
C20 | O8 | sing | 0.00Å | 1.43Å | |
C21 | O9 | sing | 0.00Å | 1.41Å | |
C21 | C31 | sing | 0.00Å | 1.52Å | |
C22 | C14 | sing | 0.00Å | 1.59Å | |
C22 | C23 | doub | 0.00Å | 1.42Å | |
C22 | C30 | sing | 0.00Å | 1.41Å | |
C24 | C23 | sing | 0.00Å | 1.49Å | |
C24 | C25 | doub | 0.00Å | 1.41Å | Aromatic |
C24 | C29 | sing | 0.00Å | 1.38Å | Aromatic |
C26 | C25 | sing | 0.00Å | 1.38Å | Aromatic |
C26 | C27 | doub | 0.00Å | 1.38Å | Aromatic |
C28 | C27 | sing | 0.00Å | 1.37Å | Aromatic |
C28 | C29 | doub | 0.00Å | 1.40Å | Aromatic |
C1 | N2 | sing | 0.00Å | 1.33Å | |
C1 | O1 | doub | 0.00Å | 1.23Å | |
C2 | C32 | sing | 0.00Å | 35.81Å | |
C2 | O2 | doub | 0.00Å | 1.22Å | |
C9 | C11 | sing | 0.00Å | 1.50Å | |
C14 | C16 | sing | 0.00Å | 1.50Å | |
C19 | O7 | sing | 0.00Å | 1.42Å | |
O3 | P1 | sing | 0.00Å | 1.62Å | |
O3 | C31 | sing | 0.00Å | 1.45Å | |
P1 | O4 | doub | 0.00Å | 1.51Å | |
P1 | O5 | sing | 0.00Å | 1.50Å | |
P1 | O6 | sing | 0.00Å | 1.52Å | |
C30 | O10 | doub | 0.00Å | 1.30Å | |
C30 | O11 | sing | 0.00Å | 1.29Å | |
N1 | H1 | sing | 0.00Å | 1.00Å | |
C10 | H2 | sing | 0.00Å | 1.08Å | |
C13 | H3 | sing | 0.00Å | 1.10Å | |
C13 | H4 | sing | 0.00Å | 1.10Å | |
C17 | H5 | sing | 0.00Å | 1.10Å | |
C17 | H6 | sing | 0.00Å | 1.10Å | |
C17 | H7 | sing | 0.00Å | 1.10Å | |
C20 | H8 | sing | 0.00Å | 1.10Å | |
C21 | H9 | sing | 0.00Å | 1.10Å | |
C26 | H10 | sing | 0.00Å | 1.08Å | |
C28 | H11 | sing | 0.00Å | 1.08Å | |
C11 | H13 | sing | 0.00Å | 1.10Å | |
C11 | H14 | sing | 0.00Å | 1.10Å | |
C11 | H15 | sing | 0.00Å | 1.10Å | |
C12 | H16 | sing | 0.00Å | 1.10Å | |
C12 | H17 | sing | 0.00Å | 1.10Å | |
C12 | H18 | sing | 0.00Å | 1.10Å | |
C14 | H19 | sing | 0.00Å | 1.10Å | |
C16 | H20 | sing | 0.00Å | 1.10Å | |
C16 | H21 | sing | 0.00Å | 1.10Å | |
C18 | H22 | sing | 0.00Å | 1.10Å | |
C18 | H23 | sing | 0.00Å | 1.10Å | |
C18 | H24 | sing | 0.00Å | 1.10Å | |
C19 | H25 | sing | 0.00Å | 1.10Å | |
O5 | H26 | sing | 0.00Å | 0.95Å | |
O6 | H27 | sing | 0.00Å | 0.95Å | |
O7 | H28 | sing | 0.00Å | 0.95Å | |
O8 | H29 | sing | 0.00Å | 0.95Å | |
O9 | H30 | sing | 0.00Å | 0.95Å | |
C25 | H32 | sing | 0.00Å | 1.08Å | |
C27 | H33 | sing | 0.00Å | 1.08Å | |
C29 | H34 | sing | 0.00Å | 1.08Å | |
O11 | H35 | sing | 0.00Å | 0.95Å | |
C31 | H36 | sing | 0.00Å | 1.10Å | |
C31 | H37 | sing | 0.00Å | 1.10Å | |
C23 | C32 | sing | 0.00Å | 33.93Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C1 | N1 | C2 | 126.3° | 90.0° |
N1 | C1 | N2 | 120.1° | 90.0° |
N1 | C1 | O1 | 118.2° | 90.0° |
C1 | N1 | H1 | 116.9° | 90.0° |
N1 | C2 | C32 | 139.4° | 90.0° |
N1 | C2 | O2 | 121.6° | 90.0° |
C2 | N1 | H1 | 116.8° | 90.0° |
C5 | N3 | C32 | 45.9° | 90.0° |
C5 | N3 | C14 | 121.2° | 90.0° |
N3 | C5 | C6 | 119.4° | 90.0° |
N3 | C5 | C7 | 119.8° | 90.0° |
C32 | N3 | C14 | 77.1° | 90.0° |
N3 | C32 | C4 | 3.5° | 90.0° |
N3 | C32 | C2 | 1.2° | 90.0° |
N3 | C32 | C23 | 3.8° | 90.0° |
N3 | C14 | C22 | 106.0° | 90.0° |
N3 | C14 | C16 | 111.1° | 90.0° |
N3 | C14 | H19 | 109.3° | 90.0° |
C32 | C4 | N2 | 145.6° | 90.0° |
C32 | C4 | N4 | 42.8° | 90.0° |
C4 | C32 | C2 | 3.5° | 90.0° |
C4 | C32 | C23 | 4.2° | 90.0° |
N2 | C4 | N4 | 115.7° | 90.0° |
C4 | N2 | C1 | 117.7° | 90.0° |
C4 | N4 | C6 | 118.7° | 90.0° |
C4 | N4 | C13 | 118.2° | 90.0° |
C6 | C5 | C7 | 120.8° | 90.0° |
C5 | C6 | C10 | 118.1° | 90.0° |
C5 | C6 | N4 | 121.4° | 90.0° |
C5 | C7 | C8 | 119.0° | 90.0° |
C5 | C7 | C15 | 112.8° | 90.0° |
C10 | C6 | N4 | 120.4° | 90.0° |
C6 | C10 | C9 | 122.5° | 90.0° |
C6 | C10 | H2 | 118.8° | 90.0° |
C6 | N4 | C13 | 122.9° | 90.0° |
C8 | C7 | C15 | 128.2° | 90.0° |
C7 | C8 | C9 | 119.6° | 90.0° |
C7 | C8 | C12 | 123.1° | 90.0° |
C7 | C15 | C17 | 107.1° | 90.0° |
C7 | C15 | C16 | 108.6° | 90.0° |
C7 | C15 | C18 | 117.4° | 90.0° |
C9 | C8 | C12 | 117.4° | 90.0° |
C8 | C9 | C10 | 119.7° | 90.0° |
C8 | C9 | C11 | 121.9° | 90.0° |
C8 | C12 | H16 | 109.5° | 90.0° |
C8 | C12 | H17 | 109.5° | 90.0° |
C8 | C12 | H18 | 109.5° | 90.0° |
C10 | C9 | C11 | 118.4° | 90.0° |
C9 | C10 | H2 | 118.8° | 90.0° |
N4 | C13 | C19 | 116.6° | 90.0° |
N4 | C13 | H3 | 107.7° | 90.0° |
N4 | C13 | H4 | 107.6° | 90.0° |
C13 | C19 | C20 | 113.0° | 90.0° |
C13 | C19 | O7 | 109.7° | 90.0° |
C19 | C13 | H3 | 107.7° | 90.0° |
C19 | C13 | H4 | 107.7° | 90.0° |
C13 | C19 | H25 | 108.2° | 90.0° |
C17 | C15 | C16 | 113.5° | 90.0° |
C17 | C15 | C18 | 105.8° | 90.0° |
C15 | C17 | H5 | 109.5° | 90.0° |
C15 | C17 | H6 | 109.5° | 90.0° |
C15 | C17 | H7 | 109.5° | 90.0° |
C16 | C15 | C18 | 104.6° | 90.0° |
C15 | C16 | C14 | 111.0° | 90.0° |
C15 | C16 | H20 | 109.1° | 90.0° |
C15 | C16 | H21 | 109.1° | 90.0° |
C15 | C18 | H22 | 109.5° | 90.0° |
C15 | C18 | H23 | 109.5° | 90.0° |
C15 | C18 | H24 | 109.5° | 90.0° |
C21 | C20 | C19 | 116.5° | 90.0° |
C21 | C20 | O8 | 110.5° | 90.0° |
C20 | C21 | O9 | 110.0° | 90.0° |
C20 | C21 | C31 | 112.9° | 90.0° |
C21 | C20 | H8 | 107.1° | 90.0° |
C20 | C21 | H9 | 106.9° | 90.0° |
C19 | C20 | O8 | 107.5° | 90.0° |
C20 | C19 | O7 | 109.0° | 90.0° |
C19 | C20 | H8 | 106.9° | 90.0° |
C20 | C19 | H25 | 107.7° | 90.0° |
O8 | C20 | H8 | 108.1° | 90.0° |
C20 | O8 | H29 | 109.5° | 90.0° |
O9 | C21 | C31 | 112.0° | 90.0° |
O9 | C21 | H9 | 108.0° | 90.0° |
C21 | O9 | H30 | 109.5° | 90.0° |
C21 | C31 | O3 | 109.9° | 90.0° |
C31 | C21 | H9 | 106.7° | 90.0° |
C21 | C31 | H36 | 109.3° | 90.0° |
C21 | C31 | H37 | 109.4° | 90.0° |
C14 | C22 | C23 | 100.4° | 90.0° |
C14 | C22 | C30 | 121.5° | 90.0° |
C22 | C14 | C16 | 112.7° | 90.0° |
C22 | C14 | H19 | 108.3° | 90.0° |
C23 | C22 | C30 | 138.0° | 90.0° |
C22 | C23 | C24 | 129.4° | 90.0° |
C22 | C23 | C32 | 61.0° | 90.0° |
C22 | C30 | O10 | 113.6° | 90.0° |
C22 | C30 | O11 | 120.9° | 90.0° |
C23 | C24 | C25 | 120.7° | 90.0° |
C23 | C24 | C29 | 117.0° | 90.0° |
C24 | C23 | C32 | 101.2° | 90.0° |
C25 | C24 | C29 | 117.1° | 90.0° |
C24 | C25 | C26 | 120.9° | 90.0° |
C24 | C25 | H32 | 119.6° | 90.0° |
C24 | C29 | C28 | 122.0° | 90.0° |
C24 | C29 | H34 | 119.0° | 90.0° |
C25 | C26 | C27 | 120.4° | 90.0° |
C25 | C26 | H10 | 119.8° | 90.0° |
C26 | C25 | H32 | 119.6° | 90.0° |
C26 | C27 | C28 | 120.0° | 90.0° |
C27 | C26 | H10 | 119.8° | 90.0° |
C26 | C27 | H33 | 120.0° | 90.0° |
C27 | C28 | C29 | 119.5° | 90.0° |
C27 | C28 | H11 | 120.2° | 90.0° |
C28 | C27 | H33 | 119.9° | 90.0° |
C29 | C28 | H11 | 120.3° | 90.0° |
C28 | C29 | H34 | 119.0° | 90.0° |
N2 | C1 | O1 | 121.5° | 90.0° |
C32 | C2 | O2 | 97.2° | 90.0° |
C2 | C32 | C23 | 2.6° | 90.0° |
C9 | C11 | H13 | 109.5° | 90.0° |
C9 | C11 | H14 | 109.5° | 90.0° |
C9 | C11 | H15 | 109.5° | 90.0° |
C16 | C14 | H19 | 109.4° | 90.0° |
C14 | C16 | H20 | 109.1° | 90.0° |
C14 | C16 | H21 | 109.1° | 90.0° |
O7 | C19 | H25 | 109.1° | 90.0° |
C19 | O7 | H28 | 109.5° | 90.0° |
P1 | O3 | C31 | 120.1° | 90.0° |
O3 | P1 | O4 | 105.9° | 90.0° |
O3 | P1 | O5 | 107.5° | 90.0° |
O3 | P1 | O6 | 102.4° | 90.0° |
O3 | C31 | H36 | 109.4° | 90.0° |
O3 | C31 | H37 | 109.3° | 90.0° |
O4 | P1 | O5 | 112.4° | 90.0° |
O4 | P1 | O6 | 111.9° | 90.0° |
O5 | P1 | O6 | 115.7° | 90.0° |
P1 | O5 | H26 | 109.5° | 90.0° |
P1 | O6 | H27 | 109.5° | 90.0° |
O10 | C30 | O11 | 123.9° | 90.0° |
C30 | O11 | H35 | 109.5° | 90.0° |
H3 | C13 | H4 | 109.4° | 90.0° |
H5 | C17 | H6 | 109.4° | 90.0° |
H5 | C17 | H7 | 109.5° | 90.0° |
H6 | C17 | H7 | 109.4° | 90.0° |
H13 | C11 | H14 | 109.5° | 90.0° |
H13 | C11 | H15 | 109.4° | 90.0° |
H14 | C11 | H15 | 109.5° | 90.0° |
H16 | C12 | H17 | 109.5° | 90.0° |
H16 | C12 | H18 | 109.5° | 90.0° |
H17 | C12 | H18 | 109.5° | 90.0° |
H20 | C16 | H21 | 109.5° | 90.0° |
H22 | C18 | H23 | 109.5° | 90.0° |
H22 | C18 | H24 | 109.4° | 90.0° |
H23 | C18 | H24 | 109.5° | 90.0° |
H36 | C31 | H37 | 109.5° | 90.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C1 | N1 | C2 | H1 | 180.0° | 90.0° |
N1 | C1 | N2 | C4 | 0.4° | 90.0° |
N1 | C1 | N2 | O1 | 174.8° | 90.0° |
C1 | N1 | C2 | C32 | 24.7° | 90.0° |
C1 | N1 | C2 | O2 | 174.3° | 90.0° |
N1 | C2 | C32 | N3 | 110.8° | 90.0° |
N1 | C2 | C32 | C4 | 29.7° | 90.0° |
C2 | N1 | C1 | N2 | 1.4° | 90.0° |
C2 | N1 | C1 | O1 | 176.4° | 90.0° |
N1 | C2 | C32 | O2 | 163.8° | 90.0° |
N1 | C2 | C32 | C23 | 55.7° | 90.0° |
C5 | N3 | C32 | C14 | 164.7° | 90.0° |
C5 | N3 | C32 | C4 | 57.3° | 90.0° |
N3 | C5 | C6 | C7 | 179.5° | 90.0° |
N3 | C5 | C6 | C10 | 177.0° | 90.0° |
N3 | C5 | C6 | N4 | 0.4° | 90.0° |
N3 | C5 | C7 | C8 | 179.6° | 90.0° |
N3 | C5 | C7 | C15 | 1.3° | 90.0° |
C5 | N3 | C14 | C22 | 109.3° | 90.0° |
C5 | N3 | C32 | C2 | 136.2° | 90.0° |
C5 | N3 | C14 | C16 | 13.4° | 90.0° |
C5 | N3 | C14 | H19 | 134.2° | 90.0° |
C5 | N3 | C32 | C23 | 127.0° | 90.0° |
N3 | C32 | C4 | C2 | 20.1° | 90.0° |
N3 | C32 | C4 | C23 | 58.4° | 90.0° |
N3 | C32 | C4 | N2 | 163.4° | 90.0° |
N3 | C32 | C4 | N4 | 133.1° | 90.0° |
C32 | N3 | C5 | C6 | 128.2° | 90.0° |
C32 | N3 | C5 | C7 | 51.3° | 90.0° |
C32 | N3 | C14 | C22 | 96.5° | 90.0° |
N3 | C32 | C23 | C22 | 86.3° | 90.0° |
N3 | C32 | C23 | C24 | 144.7° | 90.0° |
N3 | C32 | C2 | C23 | 166.5° | 90.0° |
N3 | C32 | C2 | O2 | 85.4° | 90.0° |
C32 | N3 | C14 | C16 | 26.2° | 90.0° |
C32 | N3 | C14 | H19 | 147.0° | 90.0° |
C14 | N3 | C32 | C4 | 138.0° | 90.0° |
C14 | N3 | C5 | C6 | 145.7° | 90.0° |
C14 | N3 | C5 | C7 | 33.8° | 90.0° |
N3 | C14 | C16 | C15 | 35.0° | 90.0° |
N3 | C14 | C22 | C16 | 121.7° | 90.0° |
N3 | C14 | C22 | H19 | 117.1° | 90.0° |
N3 | C14 | C22 | C23 | 14.4° | 90.0° |
N3 | C14 | C22 | C30 | 163.6° | 90.0° |
C14 | N3 | C32 | C2 | 59.1° | 90.0° |
N3 | C14 | C16 | H19 | 120.7° | 90.0° |
N3 | C14 | C16 | H20 | 155.2° | 90.0° |
N3 | C14 | C16 | H21 | 85.2° | 90.0° |
C14 | N3 | C32 | C23 | 68.3° | 90.0° |
C32 | C4 | N2 | N4 | 42.5° | 90.0° |
C32 | C4 | N4 | C6 | 46.0° | 90.0° |
C32 | C4 | N4 | C13 | 128.3° | 90.0° |
C4 | C32 | C23 | C22 | 138.3° | 90.0° |
C4 | C32 | C23 | C24 | 92.7° | 90.0° |
C32 | C4 | N2 | C1 | 147.6° | 90.0° |
C4 | C32 | C2 | C23 | 85.4° | 90.0° |
C4 | C32 | C2 | O2 | 166.6° | 90.0° |
N2 | C4 | N4 | C6 | 168.1° | 90.0° |
N2 | C4 | N4 | C13 | 17.6° | 90.0° |
C4 | N2 | C1 | O1 | 175.2° | 90.0° |
N2 | C4 | C32 | C2 | 143.3° | 90.0° |
N2 | C4 | C32 | C23 | 105.0° | 90.0° |
C4 | N4 | C6 | C5 | 8.0° | 90.0° |
C4 | N4 | C6 | C10 | 168.5° | 90.0° |
C4 | N4 | C6 | C13 | 174.0° | 90.0° |
C4 | N4 | C13 | C19 | 80.4° | 90.0° |
N4 | C4 | N2 | C1 | 169.9° | 90.0° |
N4 | C4 | C32 | C2 | 153.2° | 90.0° |
C4 | N4 | C13 | H3 | 40.6° | 90.0° |
C4 | N4 | C13 | H4 | 158.5° | 90.0° |
N4 | C4 | C32 | C23 | 168.5° | 90.0° |
C5 | C6 | C10 | N4 | 176.6° | 90.0° |
C6 | C5 | C7 | C8 | 0.1° | 90.0° |
C6 | C5 | C7 | C15 | 178.2° | 90.0° |
C5 | C6 | C10 | C9 | 6.9° | 90.0° |
C5 | C6 | N4 | C13 | 166.0° | 90.0° |
C5 | C6 | C10 | H2 | 173.1° | 90.0° |
C7 | C5 | C6 | C10 | 3.5° | 90.0° |
C7 | C5 | C6 | N4 | 180.0° | 90.0° |
C5 | C7 | C8 | C15 | 178.0° | 90.0° |
C5 | C7 | C8 | C9 | 0.2° | 90.0° |
C5 | C7 | C8 | C12 | 179.1° | 90.0° |
C5 | C7 | C15 | C17 | 77.0° | 90.0° |
C5 | C7 | C15 | C16 | 45.9° | 90.0° |
C5 | C7 | C15 | C18 | 164.2° | 90.0° |
C6 | C10 | C9 | C8 | 6.6° | 90.0° |
C6 | C10 | C9 | H2 | 180.0° | 90.0° |
C10 | C6 | N4 | C13 | 17.5° | 90.0° |
C6 | C10 | C9 | C11 | 171.9° | 90.0° |
N4 | C6 | C10 | C9 | 176.6° | 90.0° |
C6 | N4 | C13 | C19 | 105.5° | 90.0° |
N4 | C6 | C10 | H2 | 3.4° | 90.0° |
C6 | N4 | C13 | H3 | 133.4° | 90.0° |
C6 | N4 | C13 | H4 | 15.6° | 90.0° |
C7 | C8 | C9 | C12 | 178.9° | 90.0° |
C7 | C8 | C9 | C10 | 2.9° | 90.0° |
C8 | C7 | C15 | C17 | 104.8° | 90.0° |
C8 | C7 | C15 | C16 | 132.2° | 90.0° |
C8 | C7 | C15 | C18 | 13.9° | 90.0° |
C7 | C8 | C9 | C11 | 175.6° | 90.0° |
C7 | C8 | C12 | H16 | 180.0° | 90.0° |
C7 | C8 | C12 | H17 | 60.0° | 90.0° |
C7 | C8 | C12 | H18 | 60.0° | 90.0° |
C15 | C7 | C8 | C9 | 178.2° | 90.0° |
C15 | C7 | C8 | C12 | 2.9° | 90.0° |
C7 | C15 | C17 | C16 | 119.9° | 90.0° |
C7 | C15 | C17 | C18 | 126.0° | 90.0° |
C7 | C15 | C16 | C18 | 126.1° | 90.0° |
C7 | C15 | C16 | C14 | 65.2° | 90.0° |
C7 | C15 | C17 | H5 | 180.0° | 90.0° |
C7 | C15 | C17 | H6 | 60.0° | 90.0° |
C7 | C15 | C17 | H7 | 60.0° | 90.0° |
C7 | C15 | C16 | H20 | 174.6° | 90.0° |
C7 | C15 | C16 | H21 | 55.1° | 90.0° |
C7 | C15 | C18 | H22 | 180.0° | 90.0° |
C7 | C15 | C18 | H23 | 60.0° | 90.0° |
C7 | C15 | C18 | H24 | 60.0° | 90.0° |
C8 | C9 | C10 | C11 | 178.5° | 90.0° |
C8 | C9 | C10 | H2 | 173.4° | 90.0° |
C8 | C9 | C11 | H13 | 180.0° | 90.0° |
C8 | C9 | C11 | H14 | 60.0° | 90.0° |
C8 | C9 | C11 | H15 | 60.0° | 90.0° |
C9 | C8 | C12 | H16 | 1.1° | 90.0° |
C9 | C8 | C12 | H17 | 121.1° | 90.0° |
C9 | C8 | C12 | H18 | 118.9° | 90.0° |
C12 | C8 | C9 | C10 | 176.0° | 90.0° |
C12 | C8 | C9 | C11 | 5.5° | 90.0° |
C8 | C12 | H16 | H17 | 120.0° | 90.0° |
C8 | C12 | H16 | H18 | 120.0° | 90.0° |
C8 | C12 | H17 | H18 | 120.0° | 90.0° |
C10 | C9 | C11 | H13 | 1.5° | 90.0° |
C10 | C9 | C11 | H14 | 118.5° | 90.0° |
C10 | C9 | C11 | H15 | 121.5° | 90.0° |
N4 | C13 | C19 | H3 | 121.0° | 90.0° |
N4 | C13 | C19 | H4 | 121.0° | 90.0° |
N4 | C13 | C19 | C20 | 179.8° | 90.0° |
N4 | C13 | C19 | O7 | 57.9° | 90.0° |
N4 | C13 | H3 | H4 | 116.7° | 90.0° |
N4 | C13 | C19 | H25 | 61.1° | 90.0° |
C13 | C19 | C20 | C21 | 173.3° | 90.0° |
C13 | C19 | C20 | O7 | 122.3° | 90.0° |
C13 | C19 | C20 | H25 | 119.4° | 90.0° |
C13 | C19 | C20 | O8 | 62.2° | 90.0° |
C13 | C19 | O7 | H25 | 118.3° | 90.0° |
C19 | C13 | H3 | H4 | 116.8° | 90.0° |
C13 | C19 | C20 | H8 | 53.6° | 90.0° |
C13 | C19 | O7 | H28 | 180.0° | 90.0° |
C17 | C15 | C16 | C18 | 114.9° | 90.0° |
C17 | C15 | C16 | C14 | 53.9° | 90.0° |
C15 | C17 | H5 | H6 | 120.0° | 90.0° |
C15 | C17 | H5 | H7 | 120.0° | 90.0° |
C15 | C17 | H6 | H7 | 120.0° | 90.0° |
C17 | C15 | C16 | H20 | 66.4° | 90.0° |
C17 | C15 | C16 | H21 | 174.1° | 90.0° |
C17 | C15 | C18 | H22 | 60.6° | 90.0° |
C17 | C15 | C18 | H23 | 59.4° | 90.0° |
C17 | C15 | C18 | H24 | 179.4° | 90.0° |
C15 | C16 | C14 | C22 | 153.7° | 90.0° |
C15 | C16 | C14 | H20 | 120.2° | 90.0° |
C15 | C16 | C14 | H21 | 120.2° | 90.0° |
C16 | C15 | C17 | H5 | 60.1° | 90.0° |
C16 | C15 | C17 | H6 | 59.9° | 90.0° |
C16 | C15 | C17 | H7 | 179.9° | 90.0° |
C15 | C16 | C14 | H19 | 85.7° | 90.0° |
C15 | C16 | H20 | H21 | 119.3° | 90.0° |
C16 | C15 | C18 | H22 | 59.5° | 90.0° |
C16 | C15 | C18 | H23 | 179.6° | 90.0° |
C16 | C15 | C18 | H24 | 60.4° | 90.0° |
C18 | C15 | C16 | C14 | 168.7° | 90.0° |
C18 | C15 | C17 | H5 | 54.0° | 90.0° |
C18 | C15 | C17 | H6 | 174.0° | 90.0° |
C18 | C15 | C17 | H7 | 66.0° | 90.0° |
C18 | C15 | C16 | H20 | 48.5° | 90.0° |
C18 | C15 | C16 | H21 | 71.0° | 90.0° |
C15 | C18 | H22 | H23 | 120.0° | 90.0° |
C15 | C18 | H22 | H24 | 120.0° | 90.0° |
C15 | C18 | H23 | H24 | 120.0° | 90.0° |
C21 | C20 | C19 | O8 | 124.5° | 90.0° |
C21 | C20 | C19 | H8 | 119.7° | 90.0° |
C21 | C20 | O8 | H8 | 116.9° | 90.0° |
C20 | C21 | O9 | C31 | 126.4° | 90.0° |
C20 | C21 | O9 | H9 | 116.3° | 90.0° |
C20 | C21 | C31 | H9 | 117.1° | 90.0° |
C21 | C20 | C19 | O7 | 51.0° | 90.0° |
C20 | C21 | C31 | O3 | 171.5° | 90.0° |
C21 | C20 | C19 | H25 | 67.3° | 90.0° |
C21 | C20 | O8 | H29 | 180.0° | 90.0° |
C20 | C21 | O9 | H30 | 146.3° | 90.0° |
C20 | C21 | C31 | H36 | 51.4° | 90.0° |
C20 | C21 | C31 | H37 | 68.5° | 90.0° |
C19 | C20 | O8 | H8 | 115.0° | 90.0° |
C19 | C20 | C21 | O9 | 172.1° | 90.0° |
C19 | C20 | C21 | C31 | 46.2° | 90.0° |
C20 | C19 | O7 | H25 | 117.4° | 90.0° |
C20 | C19 | C13 | H3 | 59.2° | 90.0° |
C20 | C19 | C13 | H4 | 58.7° | 90.0° |
C19 | C20 | C21 | H9 | 70.9° | 90.0° |
C20 | C19 | O7 | H28 | 55.7° | 90.0° |
C19 | C20 | O8 | H29 | 51.9° | 90.0° |
O8 | C20 | C21 | O9 | 49.1° | 90.0° |
O8 | C20 | C21 | C31 | 76.8° | 90.0° |
O8 | C20 | C19 | O7 | 175.5° | 90.0° |
O8 | C20 | C21 | H9 | 166.2° | 90.0° |
O8 | C20 | C19 | H25 | 57.2° | 90.0° |
O9 | C21 | C31 | H9 | 118.0° | 90.0° |
O9 | C21 | C31 | O3 | 63.7° | 90.0° |
O9 | C21 | C20 | H8 | 68.4° | 90.0° |
O9 | C21 | C31 | H36 | 176.2° | 90.0° |
O9 | C21 | C31 | H37 | 56.4° | 90.0° |
C21 | C31 | O3 | P1 | 110.9° | 90.0° |
C21 | C31 | O3 | H36 | 120.1° | 90.0° |
C21 | C31 | O3 | H37 | 120.1° | 90.0° |
C31 | C21 | C20 | H8 | 165.7° | 90.0° |
C31 | C21 | O9 | H30 | 19.9° | 90.0° |
C21 | C31 | H36 | H37 | 119.8° | 90.0° |
C14 | C22 | C23 | C30 | 177.5° | 90.0° |
C14 | C22 | C23 | C24 | 168.8° | 90.0° |
C22 | C14 | C16 | H19 | 120.5° | 90.0° |
C14 | C22 | C30 | O10 | 58.4° | 90.0° |
C14 | C22 | C30 | O11 | 107.7° | 90.0° |
C22 | C14 | C16 | H20 | 86.0° | 90.0° |
C22 | C14 | C16 | H21 | 33.5° | 90.0° |
C14 | C22 | C23 | C32 | 88.4° | 90.0° |
C22 | C23 | C24 | C32 | 61.6° | 90.0° |
C22 | C23 | C24 | C25 | 110.4° | 90.0° |
C22 | C23 | C24 | C29 | 95.8° | 90.0° |
C22 | C23 | C32 | C2 | 82.0° | 90.0° |
C23 | C22 | C14 | C16 | 136.1° | 90.0° |
C23 | C22 | C30 | O10 | 124.5° | 90.0° |
C23 | C22 | C30 | O11 | 69.4° | 90.0° |
C23 | C22 | C14 | H19 | 102.7° | 90.0° |
C30 | C22 | C23 | C24 | 8.7° | 90.0° |
C30 | C22 | C14 | C16 | 41.9° | 90.0° |
C22 | C30 | O10 | O11 | 165.6° | 90.0° |
C30 | C22 | C14 | H19 | 79.3° | 90.0° |
C22 | C30 | O11 | H35 | 164.6° | 90.0° |
C30 | C22 | C23 | C32 | 89.1° | 90.0° |
C23 | C24 | C25 | C29 | 153.7° | 90.0° |
C23 | C24 | C25 | C26 | 151.6° | 90.0° |
C23 | C24 | C29 | C28 | 152.0° | 90.0° |
C24 | C23 | C32 | C2 | 149.0° | 90.0° |
C23 | C24 | C25 | H32 | 28.4° | 90.0° |
C23 | C24 | C29 | H34 | 28.0° | 90.0° |
C24 | C25 | C26 | H32 | 180.0° | 90.0° |
C24 | C25 | C26 | C27 | 0.4° | 90.0° |
C25 | C24 | C29 | C28 | 2.7° | 90.0° |
C24 | C25 | C26 | H10 | 179.6° | 90.0° |
C25 | C24 | C29 | H34 | 177.3° | 90.0° |
C25 | C24 | C23 | C32 | 172.0° | 90.0° |
C29 | C24 | C25 | C26 | 2.1° | 90.0° |
C24 | C29 | C28 | C27 | 1.7° | 90.0° |
C24 | C29 | C28 | H34 | 180.0° | 90.0° |
C24 | C29 | C28 | H11 | 178.3° | 90.0° |
C29 | C24 | C25 | H32 | 177.9° | 90.0° |
C29 | C24 | C23 | C32 | 34.3° | 90.0° |
C25 | C26 | C27 | H10 | 180.0° | 90.0° |
C25 | C26 | C27 | C28 | 0.7° | 90.0° |
C25 | C26 | C27 | H33 | 179.3° | 90.0° |
C26 | C27 | C28 | H33 | 180.0° | 90.0° |
C26 | C27 | C28 | C29 | 0.1° | 90.0° |
C26 | C27 | C28 | H11 | 179.9° | 90.0° |
C27 | C26 | C25 | H32 | 179.6° | 90.0° |
C27 | C28 | C29 | H11 | 180.0° | 90.0° |
C28 | C27 | C26 | H10 | 179.3° | 90.0° |
C27 | C28 | C29 | H34 | 178.3° | 90.0° |
C29 | C28 | C27 | H33 | 179.9° | 90.0° |
N2 | C1 | N1 | H1 | 178.6° | 90.0° |
O1 | C1 | N1 | H1 | 3.6° | 90.0° |
C32 | C2 | N1 | H1 | 155.3° | 90.0° |
O2 | C2 | N1 | H1 | 5.7° | 90.0° |
O2 | C2 | C32 | C23 | 108.0° | 90.0° |
C11 | C9 | C10 | H2 | 8.1° | 90.0° |
C9 | C11 | H13 | H14 | 120.0° | 90.0° |
C9 | C11 | H13 | H15 | 120.0° | 90.0° |
C9 | C11 | H14 | H15 | 120.0° | 90.0° |
C14 | C16 | H20 | H21 | 119.3° | 90.0° |
O7 | C19 | C13 | H3 | 178.9° | 90.0° |
O7 | C19 | C13 | H4 | 63.2° | 90.0° |
O7 | C19 | C20 | H8 | 68.6° | 90.0° |
O3 | P1 | O4 | O5 | 117.1° | 90.0° |
O3 | P1 | O4 | O6 | 110.8° | 90.0° |
O3 | P1 | O5 | O6 | 113.7° | 90.0° |
O3 | P1 | O5 | H26 | 116.1° | 90.0° |
O3 | P1 | O6 | H27 | 113.0° | 90.0° |
P1 | O3 | C31 | H36 | 129.0° | 90.0° |
P1 | O3 | C31 | H37 | 9.1° | 90.0° |
C31 | O3 | P1 | O4 | 75.3° | 90.0° |
C31 | O3 | P1 | O5 | 45.0° | 90.0° |
C31 | O3 | P1 | O6 | 167.4° | 90.0° |
O3 | C31 | C21 | H9 | 54.3° | 90.0° |
O3 | C31 | H36 | H37 | 119.8° | 90.0° |
O4 | P1 | O5 | O6 | 130.2° | 90.0° |
O4 | P1 | O5 | H26 | 0.0° | 90.0° |
O4 | P1 | O6 | H27 | 0.0° | 90.0° |
O5 | P1 | O6 | H27 | 130.5° | 90.0° |
O6 | P1 | O5 | H26 | 130.2° | 90.0° |
O10 | C30 | O11 | H35 | 0.0° | 90.0° |
H3 | C13 | C19 | H25 | 60.0° | 90.0° |
H4 | C13 | C19 | H25 | 177.9° | 90.0° |
H5 | C17 | H6 | H7 | 120.0° | 90.0° |
H8 | C20 | C21 | H9 | 48.7° | 90.0° |
H8 | C20 | C19 | H25 | 173.0° | 90.0° |
H8 | C20 | O8 | H29 | 63.1° | 90.0° |
H9 | C21 | O9 | H30 | 97.4° | 90.0° |
H9 | C21 | C31 | H36 | 65.7° | 90.0° |
H9 | C21 | C31 | H37 | 174.4° | 90.0° |
H10 | C26 | C25 | H32 | 0.4° | 90.0° |
H10 | C26 | C27 | H33 | 0.7° | 90.0° |
H11 | C28 | C27 | H33 | 0.1° | 90.0° |
H11 | C28 | C29 | H34 | 1.7° | 90.0° |
H13 | C11 | H14 | H15 | 120.0° | 90.0° |
H16 | C12 | H17 | H18 | 120.0° | 90.0° |
H19 | C14 | C16 | H20 | 34.5° | 90.0° |
H19 | C14 | C16 | H21 | 154.1° | 90.0° |
H22 | C18 | H23 | H24 | 120.0° | 90.0° |
H25 | C19 | O7 | H28 | 61.7° | 90.0° |