MBM
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C | C1 | doub | 1.38Å | 1.40Å | Aromatic |
C | N1 | sing | 1.32Å | 1.36Å | Aromatic |
N | C3 | doub | 1.31Å | 1.37Å | |
N | C10 | sing | 1.37Å | 1.40Å | |
O | C4 | doub | 1.22Å | 1.23Å | |
C1 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
N1 | C5 | doub | 1.32Å | 1.36Å | Aromatic |
O1 | C7 | sing | 1.34Å | 1.39Å | Aromatic |
O1 | C15 | sing | 1.35Å | 1.38Å | Aromatic |
C2 | C6 | doub | 1.40Å | 1.39Å | Aromatic |
N2 | C3 | sing | 1.38Å | 1.35Å | |
N2 | C4 | sing | 1.35Å | 1.36Å | |
O2 | C18 | doub | 1.21Å | 1.22Å | |
C3 | N3 | sing | 1.37Å | 1.40Å | |
N3 | C24 | sing | 1.46Å | 1.48Å | |
O3 | C23 | doub | 1.21Å | 1.25Å | |
C4 | C6 | sing | 1.48Å | 1.47Å | |
N4 | C16 | sing | 1.47Å | 1.46Å | |
N4 | C18 | sing | 1.35Å | 1.37Å | |
N4 | C19 | sing | 1.47Å | 1.48Å | |
C5 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
N5 | C17 | sing | 1.47Å | 1.49Å | |
N5 | C23 | sing | 1.33Å | 1.38Å | |
N5 | C25 | sing | 1.47Å | 1.48Å | |
C7 | C8 | doub | 1.34Å | 1.38Å | Aromatic |
C7 | C9 | sing | 1.51Å | 1.47Å | |
C8 | C12 | sing | 1.47Å | 1.47Å | Aromatic |
C10 | C11 | doub | 1.39Å | 1.43Å | Aromatic |
C10 | C13 | sing | 1.40Å | 1.41Å | Aromatic |
C11 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
C12 | C15 | doub | 1.41Å | 1.44Å | Aromatic |
C13 | C14 | doub | 1.38Å | 1.41Å | Aromatic |
C14 | C15 | sing | 1.39Å | 1.38Å | Aromatic |
C16 | C20 | sing | 1.54Å | 1.53Å | |
C17 | C18 | sing | 1.51Å | 1.52Å | |
C19 | C21 | sing | 1.55Å | 1.56Å | |
C20 | C21 | sing | 1.55Å | 1.51Å | |
C22 | C24 | sing | 1.53Å | 1.55Å | |
C22 | C26 | sing | 1.52Å | 1.55Å | |
C23 | C24 | sing | 1.51Å | 1.50Å | |
C25 | C27 | sing | 1.53Å | 1.56Å | |
C26 | C27 | sing | 1.52Å | 1.54Å | |
C | H | sing | 1.08Å | 1.08Å | |
C1 | H1 | sing | 1.08Å | 1.08Å | |
C2 | H2 | sing | 1.08Å | 1.08Å | |
N2 | HN2 | sing | 0.97Å | 1.00Å | |
N3 | HN3 | sing | 0.97Å | 1.00Å | |
C5 | H5 | sing | 1.08Å | 1.08Å | |
C8 | H8 | sing | 1.08Å | 1.08Å | |
C9 | H9 | sing | 1.09Å | 1.10Å | |
C9 | H9A | sing | 1.09Å | 1.10Å | |
C9 | H9B | sing | 1.09Å | 1.10Å | |
C11 | H11 | sing | 1.08Å | 1.08Å | |
C13 | H13 | sing | 1.08Å | 1.08Å | |
C14 | H14 | sing | 1.08Å | 1.08Å | |
C16 | H16 | sing | 1.09Å | 1.10Å | |
C16 | H16A | sing | 1.09Å | 1.10Å | |
C17 | H17 | sing | 1.09Å | 1.10Å | |
C17 | H17A | sing | 1.09Å | 1.10Å | |
C19 | H19 | sing | 1.09Å | 1.10Å | |
C19 | H19A | sing | 1.09Å | 1.10Å | |
C20 | H20 | sing | 1.09Å | 1.10Å | |
C20 | H20A | sing | 1.09Å | 1.10Å | |
C21 | H21 | sing | 1.09Å | 1.10Å | |
C21 | H21A | sing | 1.09Å | 1.10Å | |
C22 | H22 | sing | 1.09Å | 1.10Å | |
C22 | H22A | sing | 1.09Å | 1.10Å | |
C24 | H24 | sing | 1.09Å | 1.10Å | |
C25 | H25 | sing | 1.09Å | 1.10Å | |
C25 | H25A | sing | 1.09Å | 1.10Å | |
C26 | H26 | sing | 1.09Å | 1.10Å | |
C26 | H26A | sing | 1.09Å | 1.10Å | |
C27 | H27 | sing | 1.09Å | 1.10Å | |
C27 | H27A | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C1 | C | N1 | 123.2° | 121.1° |
C | C1 | C2 | 117.7° | 119.3° |
C1 | C | H | 118.4° | 119.4° |
C | C1 | H1 | 121.1° | 120.3° |
C | N1 | C5 | 118.1° | 121.9° |
N1 | C | H | 118.4° | 119.5° |
C3 | N | C10 | 121.3° | 120.0° |
N | C3 | N2 | 125.4° | 120.0° |
N | C3 | N3 | 121.0° | 120.0° |
N | C10 | C11 | 115.9° | 120.0° |
N | C10 | C13 | 119.5° | 120.1° |
O | C4 | N2 | 126.1° | 120.0° |
O | C4 | C6 | 120.2° | 120.0° |
C1 | C2 | C6 | 119.9° | 118.3° |
C2 | C1 | H1 | 121.1° | 120.4° |
C1 | C2 | H2 | 120.0° | 120.9° |
N1 | C5 | C6 | 122.0° | 120.6° |
N1 | C5 | H5 | 119.0° | 119.7° |
C7 | O1 | C15 | 107.2° | 110.9° |
O1 | C7 | C8 | 111.8° | 110.2° |
O1 | C7 | C9 | 116.5° | 124.9° |
O1 | C15 | C12 | 109.6° | 107.2° |
O1 | C15 | C14 | 125.2° | 133.2° |
C2 | C6 | C4 | 115.0° | 120.6° |
C2 | C6 | C5 | 119.0° | 118.8° |
C6 | C2 | H2 | 120.0° | 120.8° |
C3 | N2 | C4 | 122.4° | 120.0° |
N2 | C3 | N3 | 112.6° | 120.0° |
C3 | N2 | HN2 | 118.8° | 120.0° |
N2 | C4 | C6 | 113.2° | 120.1° |
C4 | N2 | HN2 | 118.8° | 120.0° |
O2 | C18 | N4 | 118.6° | 120.0° |
O2 | C18 | C17 | 122.3° | 120.0° |
C3 | N3 | C24 | 118.3° | 120.0° |
C3 | N3 | HN3 | 120.9° | 120.0° |
N3 | C24 | C22 | 108.8° | 109.7° |
N3 | C24 | C23 | 100.4° | 109.6° |
C24 | N3 | HN3 | 120.8° | 120.0° |
N3 | C24 | H24 | 117.0° | 109.6° |
O3 | C23 | N5 | 123.8° | 119.9° |
O3 | C23 | C24 | 121.6° | 119.9° |
C4 | C6 | C5 | 125.9° | 120.5° |
C16 | N4 | C18 | 120.2° | 125.6° |
C16 | N4 | C19 | 113.8° | 108.7° |
N4 | C16 | C20 | 104.4° | 107.3° |
N4 | C16 | H16 | 111.2° | 109.9° |
N4 | C16 | H16A | 111.2° | 109.9° |
C18 | N4 | C19 | 126.0° | 125.6° |
N4 | C18 | C17 | 118.0° | 120.0° |
N4 | C19 | C21 | 103.1° | 104.8° |
N4 | C19 | H19 | 111.6° | 110.3° |
N4 | C19 | H19A | 111.6° | 110.4° |
C6 | C5 | H5 | 119.0° | 119.7° |
C17 | N5 | C23 | 116.3° | 119.7° |
C17 | N5 | C25 | 118.6° | 119.8° |
N5 | C17 | C18 | 106.4° | 109.5° |
N5 | C17 | H17 | 110.5° | 109.4° |
N5 | C17 | H17A | 110.5° | 109.5° |
C23 | N5 | C25 | 123.7° | 120.4° |
N5 | C23 | C24 | 114.5° | 120.2° |
N5 | C25 | C27 | 113.9° | 108.7° |
N5 | C25 | H25 | 108.0° | 109.6° |
N5 | C25 | H25A | 108.0° | 109.6° |
C8 | C7 | C9 | 131.6° | 124.9° |
C7 | C8 | C12 | 106.0° | 106.2° |
C7 | C8 | H8 | 127.0° | 126.9° |
C7 | C9 | H9 | 109.5° | 109.4° |
C7 | C9 | H9A | 109.5° | 109.5° |
C7 | C9 | H9B | 109.5° | 109.5° |
C8 | C12 | C11 | 135.0° | 134.2° |
C8 | C12 | C15 | 105.4° | 105.5° |
C12 | C8 | H8 | 127.0° | 126.9° |
C11 | C10 | C13 | 124.4° | 119.9° |
C10 | C11 | C12 | 115.3° | 119.5° |
C10 | C11 | H11 | 122.3° | 120.3° |
C10 | C13 | C14 | 119.9° | 120.6° |
C10 | C13 | H13 | 120.1° | 119.7° |
C11 | C12 | C15 | 119.6° | 120.3° |
C12 | C11 | H11 | 122.3° | 120.2° |
C12 | C15 | C14 | 125.3° | 119.6° |
C13 | C14 | C15 | 115.5° | 120.2° |
C14 | C13 | H13 | 120.0° | 119.7° |
C13 | C14 | H14 | 122.3° | 120.0° |
C15 | C14 | H14 | 122.3° | 119.9° |
C16 | C20 | C21 | 107.4° | 102.9° |
C20 | C16 | H16 | 111.2° | 109.9° |
C20 | C16 | H16A | 111.2° | 109.9° |
C16 | C20 | H20 | 110.2° | 110.7° |
C16 | C20 | H20A | 110.2° | 110.7° |
C18 | C17 | H17 | 110.5° | 109.5° |
C18 | C17 | H17A | 110.5° | 109.5° |
C19 | C21 | C20 | 106.1° | 101.5° |
C21 | C19 | H19 | 111.6° | 110.3° |
C21 | C19 | H19A | 111.6° | 110.4° |
C19 | C21 | H21 | 110.6° | 111.0° |
C19 | C21 | H21A | 110.6° | 111.0° |
C21 | C20 | H20 | 110.1° | 110.5° |
C21 | C20 | H20A | 110.2° | 111.0° |
C20 | C21 | H21 | 110.6° | 110.9° |
C20 | C21 | H21A | 110.6° | 111.2° |
C24 | C22 | C26 | 115.1° | 110.6° |
C22 | C24 | C23 | 113.4° | 108.5° |
C24 | C22 | H22 | 107.6° | 109.2° |
C24 | C22 | H22A | 107.6° | 109.2° |
C22 | C24 | H24 | 104.8° | 109.8° |
C22 | C26 | C27 | 110.3° | 113.8° |
C26 | C22 | H22 | 107.6° | 109.3° |
C26 | C22 | H22A | 107.6° | 109.3° |
C22 | C26 | H26 | 109.2° | 108.6° |
C22 | C26 | H26A | 109.2° | 108.7° |
C23 | C24 | H24 | 112.7° | 109.6° |
C25 | C27 | C26 | 110.8° | 110.9° |
C27 | C25 | H25 | 108.0° | 109.6° |
C27 | C25 | H25A | 108.0° | 109.6° |
C25 | C27 | H27 | 109.0° | 109.2° |
C25 | C27 | H27A | 109.1° | 109.2° |
C27 | C26 | H26 | 109.2° | 108.6° |
C27 | C26 | H26A | 109.2° | 108.6° |
C26 | C27 | H27 | 109.0° | 109.2° |
C26 | C27 | H27A | 109.0° | 109.2° |
H9 | C9 | H9A | 109.5° | 109.5° |
H9 | C9 | H9B | 109.5° | 109.5° |
H9A | C9 | H9B | 109.5° | 109.5° |
H16 | C16 | H16A | 107.7° | 110.0° |
H17 | C17 | H17A | 108.4° | 109.5° |
H19 | C19 | H19A | 107.2° | 110.5° |
H20 | C20 | H20A | 108.8° | 110.8° |
H21 | C21 | H21A | 108.3° | 110.9° |
H22 | C22 | H22A | 111.2° | 109.2° |
H25 | C25 | H25A | 110.9° | 109.8° |
H26 | C26 | H26A | 109.7° | 108.4° |
H27 | C27 | H27A | 109.9° | 109.1° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C1 | C | N1 | H | 180.0° | 179.8° |
C | C1 | C2 | H1 | 180.0° | 179.9° |
C1 | C | N1 | C5 | 2.2° | 0.1° |
C | C1 | C2 | C6 | 0.3° | 0.1° |
C | C1 | C2 | H2 | 179.7° | 180.0° |
N1 | C | C1 | C2 | 2.0° | 0.1° |
C | N1 | C5 | C6 | 0.1° | 0.0° |
N1 | C | C1 | H1 | 178.0° | 180.0° |
C | N1 | C5 | H5 | 179.9° | 180.0° |
N | C3 | N2 | N3 | 168.1° | 179.8° |
N | C3 | N2 | C4 | 14.4° | 172.8° |
N | C3 | N3 | C24 | 171.5° | 27.6° |
C3 | N | C10 | C11 | 132.9° | 117.9° |
C3 | N | C10 | C13 | 42.2° | 62.1° |
N | C3 | N2 | HN2 | 165.6° | 7.0° |
N | C3 | N3 | HN3 | 8.5° | 152.2° |
C10 | N | C3 | N2 | 169.9° | 161.2° |
C10 | N | C3 | N3 | 2.8° | 19.0° |
N | C10 | C11 | C13 | 174.8° | 179.9° |
N | C10 | C11 | C12 | 178.1° | 180.0° |
N | C10 | C13 | C14 | 177.3° | 179.9° |
N | C10 | C11 | H11 | 1.9° | 0.0° |
N | C10 | C13 | H13 | 2.7° | 0.0° |
O | C4 | C6 | C2 | 14.2° | 0.0° |
O | C4 | N2 | C3 | 23.6° | 3.3° |
O | C4 | N2 | C6 | 171.6° | 179.9° |
O | C4 | C6 | C5 | 168.4° | 180.0° |
O | C4 | N2 | HN2 | 156.4° | 176.8° |
C1 | C2 | C6 | H2 | 180.0° | 179.9° |
C1 | C2 | C6 | C4 | 175.3° | 179.9° |
C1 | C2 | C6 | C5 | 2.3° | 0.1° |
C2 | C1 | C | H | 178.0° | 179.7° |
N1 | C5 | C6 | C2 | 2.1° | 0.0° |
N1 | C5 | C6 | C4 | 175.1° | 180.0° |
N1 | C5 | C6 | H5 | 180.0° | 180.0° |
C5 | N1 | C | H | 177.8° | 179.7° |
O1 | C7 | C8 | C9 | 177.1° | 180.0° |
O1 | C7 | C8 | C12 | 2.2° | 0.0° |
C7 | O1 | C15 | C12 | 0.2° | 0.0° |
C7 | O1 | C15 | C14 | 179.6° | 180.0° |
O1 | C7 | C8 | H8 | 177.7° | 180.0° |
O1 | C7 | C9 | H9 | 0.0° | 0.0° |
O1 | C7 | C9 | H9A | 120.0° | 120.0° |
O1 | C7 | C9 | H9B | 120.0° | 120.0° |
C15 | O1 | C7 | C8 | 1.3° | 0.0° |
C15 | O1 | C7 | C9 | 176.3° | 180.0° |
O1 | C15 | C12 | C8 | 1.5° | 0.0° |
O1 | C15 | C12 | C11 | 179.9° | 180.0° |
O1 | C15 | C12 | C14 | 179.9° | 180.0° |
O1 | C15 | C14 | C13 | 179.1° | 179.9° |
O1 | C15 | C14 | H14 | 0.9° | 0.1° |
C2 | C6 | C4 | N2 | 157.9° | 180.0° |
C2 | C6 | C4 | C5 | 177.4° | 180.0° |
C6 | C2 | C1 | H1 | 179.7° | 180.0° |
C2 | C6 | C5 | H5 | 177.9° | 180.0° |
C3 | N2 | C4 | HN2 | 180.0° | 179.9° |
N2 | C3 | N3 | C24 | 2.8° | 152.2° |
C3 | N2 | C4 | C6 | 164.8° | 176.7° |
N2 | C3 | N3 | HN3 | 177.2° | 27.9° |
C4 | N2 | C3 | N3 | 177.5° | 7.3° |
N2 | C4 | C6 | C5 | 19.4° | 0.0° |
O2 | C18 | N4 | C16 | 9.2° | 0.0° |
O2 | C18 | N4 | C17 | 168.7° | 180.0° |
O2 | C18 | N4 | C19 | 167.4° | 179.6° |
O2 | C18 | C17 | N5 | 8.2° | 0.1° |
O2 | C18 | C17 | H17 | 128.3° | 120.0° |
O2 | C18 | C17 | H17A | 111.8° | 120.0° |
C3 | N3 | C24 | HN3 | 180.0° | 179.9° |
C3 | N3 | C24 | C22 | 86.1° | 149.3° |
C3 | N3 | C24 | C23 | 154.6° | 91.6° |
N3 | C3 | N2 | HN2 | 2.4° | 172.8° |
C3 | N3 | C24 | H24 | 32.4° | 28.7° |
N3 | C24 | C23 | O3 | 5.5° | 131.5° |
N3 | C24 | C23 | N5 | 173.6° | 48.6° |
N3 | C24 | C22 | C23 | 110.8° | 119.7° |
N3 | C24 | C22 | H24 | 125.9° | 120.5° |
N3 | C24 | C22 | C26 | 163.0° | 34.7° |
N3 | C24 | C23 | H24 | 125.2° | 120.4° |
N3 | C24 | C22 | H22 | 43.0° | 155.1° |
N3 | C24 | C22 | H22A | 77.0° | 85.5° |
O3 | C23 | N5 | C17 | 10.2° | 0.2° |
O3 | C23 | N5 | C24 | 179.1° | 179.9° |
O3 | C23 | N5 | C25 | 176.1° | 179.5° |
O3 | C23 | C24 | C22 | 110.4° | 108.7° |
O3 | C23 | C24 | H24 | 130.8° | 11.2° |
C4 | C6 | C2 | H2 | 4.7° | 0.1° |
C6 | C4 | N2 | HN2 | 15.2° | 3.1° |
C4 | C6 | C5 | H5 | 4.9° | 0.0° |
C16 | N4 | C18 | C19 | 176.6° | 179.6° |
N4 | C16 | C20 | H16 | 120.0° | 119.4° |
N4 | C16 | C20 | H16A | 120.0° | 119.4° |
C16 | N4 | C18 | C17 | 177.9° | 180.0° |
C16 | N4 | C19 | C21 | 9.1° | 24.1° |
N4 | C16 | C20 | C21 | 17.4° | 22.5° |
N4 | C16 | H16 | H16A | 122.0° | 121.1° |
C16 | N4 | C19 | H19 | 129.1° | 94.7° |
C16 | N4 | C19 | H19A | 110.9° | 142.9° |
N4 | C16 | C20 | H20 | 102.6° | 140.6° |
N4 | C16 | C20 | H20A | 137.5° | 96.2° |
N4 | C18 | C17 | N5 | 176.5° | 180.0° |
C18 | N4 | C16 | C20 | 172.1° | 178.9° |
C18 | N4 | C19 | C21 | 174.2° | 155.6° |
C18 | N4 | C16 | H16 | 52.1° | 59.5° |
C18 | N4 | C16 | H16A | 67.9° | 61.7° |
N4 | C18 | C17 | H17 | 63.5° | 60.1° |
N4 | C18 | C17 | H17A | 56.5° | 60.0° |
C18 | N4 | C19 | H19 | 54.2° | 85.6° |
C18 | N4 | C19 | H19A | 65.8° | 36.8° |
C19 | N4 | C16 | C20 | 4.8° | 0.8° |
C19 | N4 | C18 | C17 | 1.3° | 0.3° |
N4 | C19 | C21 | H19 | 120.0° | 118.8° |
N4 | C19 | C21 | H19A | 120.0° | 118.9° |
N4 | C19 | C21 | C20 | 19.5° | 37.1° |
C19 | N4 | C16 | H16 | 124.8° | 120.2° |
C19 | N4 | C16 | H16A | 115.2° | 118.6° |
N4 | C19 | H19 | H19A | 122.6° | 122.3° |
N4 | C19 | C21 | H21 | 100.5° | 155.1° |
N4 | C19 | C21 | H21A | 139.5° | 81.1° |
C5 | C6 | C2 | H2 | 177.7° | 179.9° |
C17 | N5 | C23 | C25 | 166.0° | 179.7° |
N5 | C17 | C18 | H17 | 120.0° | 119.9° |
N5 | C17 | C18 | H17A | 120.0° | 120.1° |
C17 | N5 | C23 | C24 | 170.8° | 179.7° |
C17 | N5 | C25 | C27 | 99.2° | 108.0° |
N5 | C17 | H17 | H17A | 121.2° | 120.0° |
C17 | N5 | C25 | H25 | 20.8° | 132.2° |
C17 | N5 | C25 | H25A | 140.8° | 11.7° |
C23 | N5 | C17 | C18 | 109.6° | 90.1° |
N5 | C23 | C24 | C22 | 70.5° | 71.2° |
C23 | N5 | C25 | C27 | 66.5° | 72.3° |
C23 | N5 | C17 | H17 | 130.4° | 150.0° |
C23 | N5 | C17 | H17A | 10.4° | 30.0° |
N5 | C23 | C24 | H24 | 48.3° | 168.9° |
C23 | N5 | C25 | H25 | 173.5° | 47.5° |
C23 | N5 | C25 | H25A | 53.5° | 168.0° |
C25 | N5 | C17 | C18 | 83.6° | 90.2° |
C25 | N5 | C23 | C24 | 4.8° | 0.6° |
N5 | C25 | C27 | H25 | 120.0° | 119.7° |
N5 | C25 | C27 | H25A | 120.0° | 119.7° |
N5 | C25 | C27 | C26 | 85.9° | 86.5° |
C25 | N5 | C17 | H17 | 36.4° | 29.7° |
C25 | N5 | C17 | H17A | 156.4° | 149.7° |
N5 | C25 | H25 | H25A | 118.2° | 120.4° |
N5 | C25 | C27 | H27 | 34.1° | 153.2° |
N5 | C25 | C27 | H27A | 154.1° | 33.9° |
C7 | C8 | C12 | H8 | 180.0° | 180.0° |
C7 | C8 | C12 | C11 | 179.7° | 180.0° |
C7 | C8 | C12 | C15 | 2.2° | 0.0° |
C8 | C7 | C9 | H9 | 177.0° | 179.9° |
C8 | C7 | C9 | H9A | 63.0° | 60.0° |
C8 | C7 | C9 | H9B | 57.0° | 60.0° |
C9 | C7 | C8 | C12 | 174.9° | 180.0° |
C9 | C7 | C8 | H8 | 5.1° | 0.1° |
C7 | C9 | H9 | H9A | 120.0° | 120.0° |
C7 | C9 | H9 | H9B | 120.0° | 120.0° |
C7 | C9 | H9A | H9B | 120.0° | 120.0° |
C8 | C12 | C11 | C10 | 175.8° | 180.0° |
C8 | C12 | C11 | C15 | 177.8° | 180.0° |
C8 | C12 | C15 | C14 | 178.3° | 180.0° |
C8 | C12 | C11 | H11 | 4.2° | 0.0° |
C10 | C11 | C12 | H11 | 180.0° | 179.9° |
C10 | C11 | C12 | C15 | 2.0° | 0.0° |
C11 | C10 | C13 | C14 | 2.7° | 0.1° |
C11 | C10 | C13 | H13 | 177.3° | 180.0° |
C13 | C10 | C11 | C12 | 3.4° | 0.1° |
C10 | C13 | C14 | H13 | 180.0° | 179.9° |
C10 | C13 | C14 | C15 | 0.5° | 0.1° |
C13 | C10 | C11 | H11 | 176.7° | 180.0° |
C10 | C13 | C14 | H14 | 179.5° | 180.0° |
C11 | C12 | C15 | C14 | 0.1° | 0.0° |
C11 | C12 | C8 | H8 | 0.3° | 0.0° |
C12 | C15 | C14 | C13 | 0.7° | 0.0° |
C15 | C12 | C8 | H8 | 177.7° | 180.0° |
C15 | C12 | C11 | H11 | 178.0° | 179.9° |
C12 | C15 | C14 | H14 | 179.3° | 179.9° |
C13 | C14 | C15 | H14 | 180.0° | 179.9° |
C15 | C14 | C13 | H13 | 179.5° | 180.0° |
C16 | C20 | C21 | C19 | 23.3° | 35.7° |
C16 | C20 | C21 | H20 | 120.0° | 118.2° |
C16 | C20 | C21 | H20A | 120.0° | 118.4° |
C20 | C16 | H16 | H16A | 122.1° | 121.1° |
C16 | C20 | H20 | H20A | 120.8° | 123.2° |
C16 | C20 | C21 | H21 | 96.8° | 153.8° |
C16 | C20 | C21 | H21A | 143.3° | 82.3° |
C18 | C17 | H17 | H17A | 121.2° | 120.0° |
C19 | C21 | C20 | H21 | 120.0° | 118.0° |
C19 | C21 | C20 | H21A | 120.0° | 118.0° |
C21 | C19 | H19 | H19A | 122.6° | 122.3° |
C19 | C21 | C20 | H20 | 96.7° | 154.0° |
C19 | C21 | C20 | H20A | 143.3° | 82.7° |
C19 | C21 | H21 | H21A | 121.3° | 123.9° |
C21 | C20 | C16 | H16 | 137.4° | 96.9° |
C21 | C20 | C16 | H16A | 102.5° | 141.9° |
C20 | C21 | C19 | H19 | 139.5° | 81.6° |
C20 | C21 | C19 | H19A | 100.5° | 156.0° |
C21 | C20 | H20 | H20A | 120.8° | 123.4° |
C20 | C21 | H21 | H21A | 121.4° | 124.1° |
C24 | C22 | C26 | H22 | 120.0° | 120.3° |
C24 | C22 | C26 | H22A | 120.0° | 120.2° |
C22 | C24 | C23 | H24 | 118.9° | 119.9° |
C24 | C22 | C26 | C27 | 64.5° | 66.8° |
C22 | C24 | N3 | HN3 | 93.9° | 30.5° |
C24 | C22 | H22 | H22A | 117.6° | 119.4° |
C24 | C22 | C26 | H26 | 55.5° | 172.1° |
C24 | C22 | C26 | H26A | 175.5° | 54.3° |
C26 | C22 | C24 | C23 | 86.2° | 85.0° |
C22 | C26 | C27 | C25 | 64.7° | 66.9° |
C22 | C26 | C27 | H26 | 120.0° | 121.1° |
C22 | C26 | C27 | H26A | 120.0° | 121.1° |
C26 | C22 | H22 | H22A | 117.7° | 119.5° |
C26 | C22 | C24 | H24 | 37.1° | 155.3° |
C22 | C26 | H26 | H26A | 119.7° | 117.9° |
C22 | C26 | C27 | H27 | 55.3° | 172.7° |
C22 | C26 | C27 | H27A | 175.3° | 53.5° |
C23 | C24 | N3 | HN3 | 25.4° | 88.5° |
C23 | C24 | C22 | H22 | 153.8° | 35.4° |
C23 | C24 | C22 | H22A | 33.8° | 154.8° |
C25 | C27 | C26 | H27 | 120.0° | 120.4° |
C25 | C27 | C26 | H27A | 120.0° | 120.4° |
C27 | C25 | H25 | H25A | 118.2° | 120.5° |
C25 | C27 | C26 | H26 | 55.3° | 172.0° |
C25 | C27 | C26 | H26A | 175.3° | 54.2° |
C25 | C27 | H27 | H27A | 119.5° | 119.3° |
C27 | C26 | C22 | H22 | 175.5° | 53.5° |
C27 | C26 | C22 | H22A | 55.5° | 173.0° |
C26 | C27 | C25 | H25 | 154.1° | 33.2° |
C26 | C27 | C25 | H25A | 34.1° | 153.8° |
C27 | C26 | H26 | H26A | 119.7° | 117.9° |
C26 | C27 | H27 | H27A | 119.4° | 119.3° |
H | C | C1 | H1 | 2.0° | 0.2° |
H1 | C1 | C2 | H2 | 0.3° | 0.1° |
HN3 | N3 | C24 | H24 | 147.6° | 151.1° |
H9 | C9 | H9A | H9B | 120.0° | 120.1° |
H13 | C13 | C14 | H14 | 0.5° | 0.1° |
H16 | C16 | C20 | H20 | 17.5° | 21.1° |
H16 | C16 | C20 | H20A | 102.5° | 144.4° |
H16A | C16 | C20 | H20 | 137.5° | 100.0° |
H16A | C16 | C20 | H20A | 17.5° | 23.3° |
H19 | C19 | C21 | H21 | 19.5° | 36.3° |
H19 | C19 | C21 | H21A | 100.5° | 160.2° |
H19A | C19 | C21 | H21 | 139.5° | 86.1° |
H19A | C19 | C21 | H21A | 19.5° | 37.8° |
H20 | C20 | C21 | H21 | 143.2° | 88.0° |
H20 | C20 | C21 | H21A | 23.3° | 35.9° |
H20A | C20 | C21 | H21 | 23.3° | 35.3° |
H20A | C20 | C21 | H21A | 96.7° | 159.3° |
H22 | C22 | C24 | H24 | 82.9° | 84.4° |
H22 | C22 | C26 | H26 | 64.5° | 67.6° |
H22 | C22 | C26 | H26A | 55.5° | 174.6° |
H22A | C22 | C24 | H24 | 157.1° | 35.0° |
H22A | C22 | C26 | H26 | 175.5° | 51.9° |
H22A | C22 | C26 | H26A | 64.5° | 65.9° |
H25 | C25 | C27 | H27 | 85.9° | 87.1° |
H25 | C25 | C27 | H27A | 34.1° | 153.7° |
H25A | C25 | C27 | H27 | 154.1° | 33.4° |
H25A | C25 | C27 | H27A | 85.9° | 85.8° |
H26 | C26 | C27 | H27 | 175.3° | 51.6° |
H26 | C26 | C27 | H27A | 64.8° | 67.6° |
H26A | C26 | C27 | H27 | 64.7° | 66.1° |
H26A | C26 | C27 | H27A | 55.2° | 174.6° |