DZH
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O1 | C4 | doub | 1.21Å | 1.23Å | |
C4 | N1 | sing | 1.30Å | 1.32Å | |
C4 | C3 | sing | 1.49Å | 1.48Å | |
N1 | C5 | sing | 1.38Å | 1.41Å | |
C3 | C2 | sing | 1.51Å | 1.56Å | |
C7 | C5 | doub | 1.41Å | 1.38Å | Aromatic |
C7 | C8 | sing | 1.37Å | 1.33Å | Aromatic |
C5 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
C8 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
C2 | C1 | sing | 1.50Å | 1.50Å | |
C6 | C1 | sing | 1.49Å | 1.50Å | |
C6 | C10 | doub | 1.40Å | 1.39Å | Aromatic |
C9 | C10 | sing | 1.38Å | 1.34Å | Aromatic |
C9 | S1 | sing | 1.76Å | 1.77Å | |
O3 | S1 | doub | 1.42Å | 1.45Å | |
S1 | N2 | sing | 1.66Å | 1.62Å | |
S1 | O2 | doub | 1.42Å | 1.41Å | |
N2 | C11 | sing | 1.47Å | 1.48Å | |
C11 | C12 | sing | 1.51Å | 1.49Å | |
C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
C13 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
C12 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
C17 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
O5 | C19 | doub | 1.22Å | 1.22Å | |
C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
C15 | C18 | sing | 1.51Å | 1.51Å | |
C18 | N3 | sing | 1.47Å | 1.49Å | |
C19 | N3 | sing | 1.35Å | 1.37Å | |
C19 | N4 | sing | 1.34Å | 1.38Å | |
N3 | C20 | sing | 1.39Å | 1.38Å | |
N4 | C22 | sing | 1.35Å | 1.40Å | |
C20 | C21 | doub | 1.39Å | 1.36Å | Aromatic |
C20 | N5 | sing | 1.34Å | 1.34Å | Aromatic |
C22 | O4 | doub | 1.22Å | 1.24Å | |
C22 | C21 | sing | 1.41Å | 1.42Å | |
C21 | N6 | sing | 1.38Å | 1.38Å | Aromatic |
N5 | C23 | doub | 1.31Å | 1.33Å | Aromatic |
N6 | C23 | sing | 1.35Å | 1.33Å | Aromatic |
N6 | C24 | sing | 1.47Å | 1.49Å | |
C25 | C24 | sing | 1.53Å | 1.51Å | |
C14 | H1 | sing | 1.08Å | 1.08Å | |
C11 | H2 | sing | 1.09Å | 1.10Å | |
C11 | H3 | sing | 1.09Å | 1.10Å | |
C7 | H4 | sing | 1.08Å | 1.08Å | |
C8 | H5 | sing | 1.08Å | 1.08Å | |
C10 | H6 | sing | 1.08Å | 1.08Å | |
C13 | H7 | sing | 1.08Å | 1.08Å | |
N1 | H8 | sing | 0.97Å | 1.00Å | |
N2 | H9 | sing | 0.97Å | 1.00Å | |
C3 | H10 | sing | 1.09Å | 1.10Å | |
C3 | H11 | sing | 1.09Å | 1.10Å | |
C1 | H12 | sing | 1.09Å | 1.10Å | |
C1 | H13 | sing | 1.09Å | 1.10Å | |
C2 | H14 | sing | 1.09Å | 1.10Å | |
C2 | H15 | sing | 1.09Å | 1.10Å | |
C16 | H16 | sing | 1.08Å | 1.08Å | |
C17 | H17 | sing | 1.08Å | 1.08Å | |
C18 | H18 | sing | 1.09Å | 1.10Å | |
C18 | H19 | sing | 1.09Å | 1.10Å | |
N4 | H20 | sing | 0.97Å | 1.00Å | |
C23 | H21 | sing | 1.08Å | 1.08Å | |
C24 | H22 | sing | 1.09Å | 1.10Å | |
C24 | H23 | sing | 1.09Å | 1.10Å | |
C25 | H24 | sing | 1.09Å | 1.10Å | |
C25 | H25 | sing | 1.09Å | 1.10Å | |
C25 | H26 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C4 | N1 | 122.7° | 116.4° |
O1 | C4 | C3 | 120.5° | 116.4° |
N1 | C4 | C3 | 116.6° | 127.2° |
C4 | N1 | C5 | 126.7° | 136.3° |
C4 | N1 | H8 | 116.7° | 111.9° |
C4 | C3 | C2 | 113.5° | 111.9° |
C4 | C3 | H10 | 108.5° | 109.0° |
C4 | C3 | H11 | 108.5° | 109.0° |
N1 | C5 | C7 | 119.6° | 114.9° |
N1 | C5 | C6 | 120.3° | 126.4° |
C5 | N1 | H8 | 116.7° | 111.9° |
C3 | C2 | C1 | 111.1° | 113.5° |
C2 | C3 | H10 | 108.4° | 109.0° |
C2 | C3 | H11 | 108.5° | 109.0° |
C3 | C2 | H14 | 109.1° | 108.7° |
C3 | C2 | H15 | 109.0° | 108.7° |
C5 | C7 | C8 | 120.5° | 121.4° |
C7 | C5 | C6 | 119.9° | 118.7° |
C5 | C7 | H4 | 119.7° | 119.3° |
C7 | C8 | C9 | 120.2° | 119.6° |
C8 | C7 | H4 | 119.7° | 119.3° |
C7 | C8 | H5 | 119.9° | 120.2° |
C5 | C6 | C1 | 118.6° | 125.2° |
C5 | C6 | C10 | 117.8° | 119.3° |
C8 | C9 | C10 | 120.7° | 119.4° |
C8 | C9 | S1 | 119.6° | 120.3° |
C9 | C8 | H5 | 119.9° | 120.2° |
C2 | C1 | C6 | 114.2° | 115.8° |
C2 | C1 | H12 | 108.3° | 108.3° |
C2 | C1 | H13 | 108.3° | 108.1° |
C1 | C2 | H14 | 109.1° | 108.6° |
C1 | C2 | H15 | 109.1° | 108.7° |
C1 | C6 | C10 | 123.3° | 115.5° |
C6 | C1 | H12 | 108.3° | 108.2° |
C6 | C1 | H13 | 108.3° | 108.2° |
C6 | C10 | C9 | 120.7° | 121.5° |
C6 | C10 | H6 | 119.7° | 119.3° |
C10 | C9 | S1 | 119.6° | 120.3° |
C9 | C10 | H6 | 119.6° | 119.2° |
C9 | S1 | O3 | 107.8° | 106.4° |
C9 | S1 | N2 | 108.5° | 107.2° |
C9 | S1 | O2 | 107.7° | 106.4° |
O3 | S1 | N2 | 105.1° | 106.4° |
O3 | S1 | O2 | 119.8° | 123.2° |
N2 | S1 | O2 | 107.6° | 106.4° |
S1 | N2 | C11 | 117.1° | 120.0° |
S1 | N2 | H9 | 107.6° | 120.1° |
N2 | C11 | C12 | 112.2° | 109.4° |
N2 | C11 | H2 | 108.8° | 109.5° |
N2 | C11 | H3 | 108.8° | 109.4° |
C11 | N2 | H9 | 107.5° | 120.0° |
C11 | C12 | C13 | 120.3° | 120.0° |
C11 | C12 | C17 | 121.4° | 120.0° |
C12 | C11 | H2 | 108.8° | 109.5° |
C12 | C11 | H3 | 108.7° | 109.5° |
C12 | C13 | C14 | 122.8° | 120.0° |
C13 | C12 | C17 | 118.3° | 120.0° |
C12 | C13 | H7 | 118.6° | 120.0° |
C13 | C14 | C15 | 119.5° | 120.1° |
C13 | C14 | H1 | 120.2° | 120.0° |
C14 | C13 | H7 | 118.6° | 120.0° |
C12 | C17 | C16 | 118.9° | 120.0° |
C12 | C17 | H17 | 120.6° | 120.0° |
C14 | C15 | C16 | 117.7° | 120.0° |
C14 | C15 | C18 | 120.8° | 120.0° |
C15 | C14 | H1 | 120.3° | 120.0° |
C17 | C16 | C15 | 122.7° | 120.0° |
C17 | C16 | H16 | 118.6° | 120.0° |
C16 | C17 | H17 | 120.6° | 120.0° |
O5 | C19 | N3 | 124.1° | 119.1° |
O5 | C19 | N4 | 119.3° | 119.2° |
C16 | C15 | C18 | 121.5° | 120.0° |
C15 | C16 | H16 | 118.6° | 120.0° |
C15 | C18 | N3 | 112.5° | 109.4° |
C15 | C18 | H18 | 108.7° | 109.5° |
C15 | C18 | H19 | 108.7° | 109.5° |
C18 | N3 | C19 | 117.4° | 120.0° |
C18 | N3 | C20 | 122.9° | 120.0° |
N3 | C18 | H18 | 108.7° | 109.5° |
N3 | C18 | H19 | 108.7° | 109.4° |
N3 | C19 | N4 | 116.6° | 121.7° |
C19 | N3 | C20 | 119.7° | 120.1° |
C19 | N4 | C22 | 127.7° | 121.0° |
C19 | N4 | H20 | 116.2° | 119.5° |
N3 | C20 | C21 | 121.9° | 118.9° |
N3 | C20 | N5 | 125.9° | 133.9° |
N4 | C22 | O4 | 120.5° | 120.4° |
N4 | C22 | C21 | 111.5° | 119.2° |
C22 | N4 | H20 | 116.1° | 119.5° |
C21 | C20 | N5 | 112.2° | 107.2° |
C20 | C21 | C22 | 122.5° | 119.1° |
C20 | C21 | N6 | 104.9° | 106.3° |
C20 | N5 | C23 | 103.4° | 109.8° |
O4 | C22 | C21 | 127.9° | 120.4° |
C22 | C21 | N6 | 132.6° | 134.6° |
C21 | N6 | C23 | 106.0° | 107.0° |
C21 | N6 | C24 | 126.2° | 126.5° |
N5 | C23 | N6 | 113.5° | 109.7° |
N5 | C23 | H21 | 123.2° | 125.1° |
C23 | N6 | C24 | 127.2° | 126.5° |
N6 | C23 | H21 | 123.2° | 125.2° |
N6 | C24 | C25 | 109.7° | 109.5° |
N6 | C24 | H22 | 109.4° | 109.5° |
N6 | C24 | H23 | 109.4° | 109.5° |
C25 | C24 | H22 | 109.4° | 109.5° |
C25 | C24 | H23 | 109.4° | 109.5° |
C24 | C25 | H24 | 109.5° | 109.4° |
C24 | C25 | H25 | 109.5° | 109.5° |
C24 | C25 | H26 | 109.5° | 109.4° |
H2 | C11 | H3 | 109.5° | 109.5° |
H10 | C3 | H11 | 109.5° | 108.9° |
H12 | C1 | H13 | 109.5° | 108.1° |
H14 | C2 | H15 | 109.4° | 108.5° |
H18 | C18 | H19 | 109.5° | 109.5° |
H22 | C24 | H23 | 109.5° | 109.5° |
H24 | C25 | H25 | 109.5° | 109.5° |
H24 | C25 | H26 | 109.4° | 109.5° |
H25 | C25 | H26 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C4 | N1 | C3 | 174.7° | 179.7° |
O1 | C4 | N1 | C5 | 178.2° | 170.6° |
O1 | C4 | C3 | C2 | 109.7° | 144.6° |
O1 | C4 | N1 | H8 | 1.8° | 9.5° |
O1 | C4 | C3 | H10 | 10.8° | 94.7° |
O1 | C4 | C3 | H11 | 129.7° | 24.0° |
C4 | N1 | C5 | H8 | 180.0° | 179.9° |
N1 | C4 | C3 | C2 | 75.5° | 35.6° |
C4 | N1 | C5 | C7 | 141.6° | 171.9° |
C4 | N1 | C5 | C6 | 43.1° | 9.0° |
N1 | C4 | C3 | H10 | 164.0° | 85.0° |
N1 | C4 | C3 | H11 | 45.2° | 156.2° |
C3 | C4 | N1 | C5 | 7.1° | 9.7° |
C4 | C3 | C2 | H10 | 120.6° | 120.6° |
C4 | C3 | C2 | H11 | 120.6° | 120.6° |
C4 | C3 | C2 | C1 | 42.2° | 73.4° |
C3 | C4 | N1 | H8 | 172.9° | 170.2° |
C4 | C3 | H10 | H11 | 118.2° | 118.8° |
C4 | C3 | C2 | H14 | 78.1° | 165.6° |
C4 | C3 | C2 | H15 | 162.5° | 47.7° |
N1 | C5 | C7 | C6 | 175.3° | 179.2° |
N1 | C5 | C7 | C8 | 175.8° | 178.8° |
N1 | C5 | C6 | C1 | 4.6° | 1.8° |
N1 | C5 | C6 | C10 | 178.8° | 178.5° |
N1 | C5 | C7 | H4 | 4.2° | 1.2° |
C3 | C2 | C1 | H14 | 120.3° | 121.1° |
C3 | C2 | C1 | H15 | 120.2° | 121.1° |
C3 | C2 | C1 | C6 | 44.1° | 77.5° |
C2 | C3 | H10 | H11 | 118.2° | 118.8° |
C3 | C2 | C1 | H12 | 76.6° | 160.9° |
C3 | C2 | C1 | H13 | 164.8° | 44.0° |
C3 | C2 | H14 | H15 | 119.2° | 118.1° |
C5 | C7 | C8 | H4 | 180.0° | 180.0° |
C5 | C7 | C8 | C9 | 2.9° | 0.0° |
C7 | C5 | C6 | C1 | 170.7° | 179.0° |
C7 | C5 | C6 | C10 | 3.5° | 0.6° |
C5 | C7 | C8 | H5 | 177.1° | 180.0° |
C7 | C5 | N1 | H8 | 38.4° | 8.2° |
C8 | C7 | C5 | C6 | 0.5° | 0.4° |
C7 | C8 | C9 | H5 | 180.0° | 180.0° |
C7 | C8 | C9 | C10 | 3.1° | 0.2° |
C7 | C8 | C9 | S1 | 179.0° | 179.8° |
C5 | C6 | C1 | C2 | 72.8° | 35.4° |
C5 | C6 | C1 | C10 | 173.9° | 179.7° |
C5 | C6 | C10 | C9 | 3.3° | 0.4° |
C6 | C5 | C7 | H4 | 179.5° | 179.6° |
C5 | C6 | C10 | H6 | 176.7° | 179.6° |
C6 | C5 | N1 | H8 | 136.9° | 170.9° |
C5 | C6 | C1 | H12 | 47.8° | 157.1° |
C5 | C6 | C1 | H13 | 166.5° | 86.0° |
C8 | C9 | C10 | C6 | 0.0° | 0.0° |
C8 | C9 | C10 | S1 | 177.8° | 180.0° |
C8 | C9 | S1 | O3 | 28.1° | 23.5° |
C8 | C9 | S1 | N2 | 85.2° | 90.0° |
C8 | C9 | S1 | O2 | 158.6° | 156.5° |
C9 | C8 | C7 | H4 | 177.2° | 180.0° |
C8 | C9 | C10 | H6 | 180.0° | 180.0° |
C2 | C1 | C6 | H12 | 120.7° | 121.7° |
C2 | C1 | C6 | H13 | 120.7° | 121.4° |
C2 | C1 | C6 | C10 | 113.3° | 144.2° |
C1 | C2 | C3 | H10 | 162.8° | 47.2° |
C1 | C2 | C3 | H11 | 78.4° | 166.0° |
C2 | C1 | H12 | H13 | 117.8° | 116.9° |
C1 | C2 | H14 | H15 | 119.2° | 117.9° |
C1 | C6 | C10 | C9 | 170.7° | 179.3° |
C1 | C6 | C10 | H6 | 9.3° | 0.7° |
C6 | C1 | H12 | H13 | 117.9° | 116.9° |
C6 | C1 | C2 | H14 | 164.3° | 161.4° |
C6 | C1 | C2 | H15 | 76.2° | 43.6° |
C6 | C10 | C9 | H6 | 180.0° | 180.0° |
C6 | C10 | C9 | S1 | 177.8° | 180.0° |
C10 | C6 | C1 | H12 | 126.0° | 22.5° |
C10 | C6 | C1 | H13 | 7.4° | 94.4° |
C10 | C9 | S1 | O3 | 154.1° | 156.5° |
C10 | C9 | S1 | N2 | 92.7° | 90.0° |
C10 | C9 | S1 | O2 | 23.5° | 23.5° |
C10 | C9 | C8 | H5 | 176.9° | 179.8° |
C9 | S1 | O3 | N2 | 115.6° | 114.1° |
C9 | S1 | O3 | O2 | 123.5° | 122.9° |
C9 | S1 | N2 | O2 | 116.2° | 113.5° |
C9 | S1 | N2 | C11 | 57.4° | 65.0° |
S1 | C9 | C8 | H5 | 0.9° | 0.2° |
S1 | C9 | C10 | H6 | 2.2° | 0.0° |
C9 | S1 | N2 | H9 | 178.5° | 115.0° |
O3 | S1 | N2 | O2 | 128.7° | 133.0° |
O3 | S1 | N2 | C11 | 172.5° | 178.5° |
O3 | S1 | N2 | H9 | 66.4° | 1.5° |
S1 | N2 | C11 | H9 | 121.1° | 179.9° |
S1 | N2 | C11 | C12 | 154.3° | 165.0° |
S1 | N2 | C11 | H2 | 85.3° | 44.9° |
S1 | N2 | C11 | H3 | 34.0° | 75.0° |
O2 | S1 | N2 | C11 | 58.8° | 48.5° |
O2 | S1 | N2 | H9 | 62.3° | 131.4° |
N2 | C11 | C12 | H2 | 120.4° | 120.0° |
N2 | C11 | C12 | H3 | 120.4° | 120.0° |
N2 | C11 | C12 | C13 | 116.5° | 89.2° |
N2 | C11 | C12 | C17 | 65.2° | 90.0° |
N2 | C11 | H2 | H3 | 118.8° | 120.0° |
C11 | C12 | C13 | C17 | 178.3° | 179.3° |
C11 | C12 | C13 | C14 | 174.9° | 179.7° |
C11 | C12 | C17 | C16 | 175.0° | 180.0° |
C12 | C11 | H2 | H3 | 118.7° | 120.0° |
C11 | C12 | C13 | H7 | 5.1° | 0.2° |
C12 | C11 | N2 | H9 | 33.2° | 15.0° |
C11 | C12 | C17 | H17 | 5.0° | 0.8° |
C12 | C13 | C14 | H7 | 180.0° | 180.0° |
C12 | C13 | C14 | C15 | 3.1° | 0.0° |
C13 | C12 | C17 | C16 | 3.3° | 0.7° |
C12 | C13 | C14 | H1 | 176.9° | 179.8° |
C13 | C12 | C11 | H2 | 3.9° | 30.8° |
C13 | C12 | C11 | H3 | 123.1° | 150.8° |
C13 | C12 | C17 | H17 | 176.7° | 179.9° |
C14 | C13 | C12 | C17 | 3.4° | 0.5° |
C13 | C14 | C15 | H1 | 180.0° | 179.7° |
C13 | C14 | C15 | C16 | 2.6° | 0.2° |
C13 | C14 | C15 | C18 | 178.6° | 179.7° |
C12 | C17 | C16 | H17 | 180.0° | 179.2° |
C12 | C17 | C16 | C15 | 3.1° | 0.5° |
C17 | C12 | C11 | H2 | 174.4° | 149.9° |
C17 | C12 | C11 | H3 | 55.2° | 29.9° |
C17 | C12 | C13 | H7 | 176.6° | 179.5° |
C12 | C17 | C16 | H16 | 176.9° | 179.4° |
C14 | C15 | C16 | C17 | 2.7° | 0.0° |
C14 | C15 | C16 | C18 | 178.8° | 180.0° |
C14 | C15 | C18 | N3 | 85.8° | 90.0° |
C15 | C14 | C13 | H7 | 176.9° | 180.0° |
C14 | C15 | C16 | H16 | 177.2° | 179.9° |
C14 | C15 | C18 | H18 | 153.7° | 30.0° |
C14 | C15 | C18 | H19 | 34.6° | 150.0° |
C17 | C16 | C15 | H16 | 180.0° | 180.0° |
C17 | C16 | C15 | C18 | 178.5° | 180.0° |
O5 | C19 | N3 | C18 | 1.6° | 0.3° |
O5 | C19 | N3 | N4 | 177.3° | 179.9° |
O5 | C19 | N3 | C20 | 179.7° | 180.0° |
O5 | C19 | N4 | C22 | 177.6° | 179.5° |
O5 | C19 | N4 | H20 | 2.4° | 0.1° |
C16 | C15 | C18 | N3 | 92.9° | 90.0° |
C16 | C15 | C14 | H1 | 177.4° | 180.0° |
C15 | C16 | C17 | H17 | 176.8° | 179.7° |
C16 | C15 | C18 | H18 | 27.5° | 150.0° |
C16 | C15 | C18 | H19 | 146.6° | 29.9° |
C15 | C18 | N3 | H18 | 120.5° | 120.0° |
C15 | C18 | N3 | H19 | 120.5° | 120.0° |
C15 | C18 | N3 | C19 | 89.7° | 89.7° |
C15 | C18 | N3 | C20 | 91.6° | 90.0° |
C18 | C15 | C14 | H1 | 1.4° | 0.0° |
C18 | C15 | C16 | H16 | 1.5° | 0.0° |
C15 | C18 | H18 | H19 | 118.6° | 120.1° |
C18 | N3 | C19 | C20 | 178.7° | 179.7° |
C18 | N3 | C19 | N4 | 178.9° | 179.8° |
C18 | N3 | C20 | C21 | 177.8° | 180.0° |
C18 | N3 | C20 | N5 | 0.1° | 0.1° |
N3 | C18 | H18 | H19 | 118.6° | 120.0° |
N3 | C19 | N4 | C22 | 0.2° | 0.5° |
C19 | N3 | C20 | C21 | 3.6° | 0.3° |
C19 | N3 | C20 | N5 | 178.8° | 179.7° |
C19 | N3 | C18 | H18 | 149.8° | 30.3° |
C19 | N3 | C18 | H19 | 30.8° | 150.3° |
N3 | C19 | N4 | H20 | 179.8° | 180.0° |
N4 | C19 | N3 | C20 | 2.3° | 0.0° |
C19 | N4 | C22 | H20 | 180.0° | 179.5° |
C19 | N4 | C22 | O4 | 178.2° | 179.7° |
C19 | N4 | C22 | C21 | 0.8° | 0.7° |
N3 | C20 | C21 | N5 | 177.9° | 179.9° |
N3 | C20 | C21 | C22 | 2.6° | 0.0° |
N3 | C20 | C21 | N6 | 178.6° | 180.0° |
N3 | C20 | N5 | C23 | 178.8° | 180.0° |
C20 | N3 | C18 | H18 | 28.8° | 150.0° |
C20 | N3 | C18 | H19 | 147.9° | 30.0° |
N4 | C22 | C21 | C20 | 0.4° | 0.5° |
N4 | C22 | O4 | C21 | 178.8° | 179.5° |
N4 | C22 | C21 | N6 | 178.8° | 179.5° |
C20 | C21 | C22 | O4 | 179.3° | 180.0° |
C20 | C21 | C22 | N6 | 178.4° | 180.0° |
C21 | C20 | N5 | C23 | 1.0° | 0.0° |
C20 | C21 | N6 | C23 | 0.1° | 0.0° |
C20 | C21 | N6 | C24 | 172.3° | 180.0° |
N5 | C20 | C21 | C22 | 179.5° | 180.0° |
N5 | C20 | C21 | N6 | 0.7° | 0.0° |
C20 | N5 | C23 | N6 | 0.9° | 0.1° |
C20 | N5 | C23 | H21 | 179.1° | 180.0° |
O4 | C22 | C21 | N6 | 2.3° | 0.1° |
O4 | C22 | N4 | H20 | 1.8° | 0.2° |
C22 | C21 | N6 | C23 | 178.8° | 180.0° |
C22 | C21 | N6 | C24 | 9.1° | 0.0° |
C21 | C22 | N4 | H20 | 179.2° | 179.7° |
C21 | N6 | C23 | N5 | 0.5° | 0.0° |
C21 | N6 | C23 | C24 | 172.1° | 180.0° |
C21 | N6 | C24 | C25 | 78.1° | 85.0° |
C21 | N6 | C23 | H21 | 179.5° | 180.0° |
C21 | N6 | C24 | H22 | 161.9° | 155.0° |
C21 | N6 | C24 | H23 | 41.9° | 35.0° |
N5 | C23 | N6 | H21 | 180.0° | 179.9° |
N5 | C23 | N6 | C24 | 171.6° | 180.0° |
C23 | N6 | C24 | C25 | 92.5° | 95.0° |
C23 | N6 | C24 | H22 | 27.5° | 25.0° |
C23 | N6 | C24 | H23 | 147.5° | 145.0° |
N6 | C24 | C25 | H22 | 120.0° | 120.0° |
N6 | C24 | C25 | H23 | 120.0° | 120.0° |
C24 | N6 | C23 | H21 | 8.4° | 0.0° |
N6 | C24 | H22 | H23 | 119.9° | 120.0° |
N6 | C24 | C25 | H24 | 180.0° | 60.0° |
N6 | C24 | C25 | H25 | 60.0° | 60.0° |
N6 | C24 | C25 | H26 | 60.0° | 180.0° |
C25 | C24 | H22 | H23 | 119.9° | 120.0° |
C24 | C25 | H24 | H25 | 120.0° | 120.0° |
C24 | C25 | H24 | H26 | 120.0° | 119.9° |
C24 | C25 | H25 | H26 | 120.0° | 120.0° |
H1 | C14 | C13 | H7 | 3.1° | 0.3° |
H2 | C11 | N2 | H9 | 153.6° | 135.0° |
H3 | C11 | N2 | H9 | 87.2° | 105.0° |
H4 | C7 | C8 | H5 | 2.8° | 0.0° |
H10 | C3 | C2 | H14 | 42.5° | 73.8° |
H10 | C3 | C2 | H15 | 76.9° | 168.3° |
H11 | C3 | C2 | H14 | 161.3° | 45.0° |
H11 | C3 | C2 | H15 | 41.9° | 72.9° |
H12 | C1 | C2 | H14 | 43.6° | 39.8° |
H12 | C1 | C2 | H15 | 163.1° | 78.0° |
H13 | C1 | C2 | H14 | 75.0° | 77.1° |
H13 | C1 | C2 | H15 | 44.5° | 165.1° |
H16 | C16 | C17 | H17 | 3.2° | 0.2° |
H22 | C24 | C25 | H24 | 60.0° | 180.0° |
H22 | C24 | C25 | H25 | 180.0° | 60.0° |
H22 | C24 | C25 | H26 | 60.0° | 60.1° |
H23 | C24 | C25 | H24 | 60.0° | 60.0° |
H23 | C24 | C25 | H25 | 60.1° | NaN° |
H23 | C24 | C25 | H26 | 180.0° | 60.0° |
H24 | C25 | H25 | H26 | 119.9° | 120.0° |