1BG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | C25 | sing | 1.55Å | 1.55Å | |
| C24 | C23 | sing | 1.55Å | 1.55Å | |
| C25 | N26 | sing | 1.47Å | 1.48Å | |
| C23 | C21 | sing | 1.54Å | 1.53Å | |
| N26 | C21 | sing | 1.49Å | 1.49Å | |
| N26 | C27 | sing | 1.46Å | 1.45Å | |
| C21 | C20 | sing | 1.53Å | 1.52Å | |
| C35 | C34 | sing | 1.53Å | 1.53Å | |
| C35 | C36 | sing | 1.53Å | 1.54Å | |
| C27 | C28 | sing | 1.56Å | 1.56Å | |
| C34 | C33 | sing | 1.53Å | 1.54Å | |
| C36 | C37 | sing | 1.51Å | 1.52Å | |
| C20 | N19 | sing | 1.48Å | 1.49Å | |
| C28 | C30 | sing | 1.51Å | 1.51Å | |
| C28 | N19 | sing | 1.47Å | 1.46Å | |
| C30 | N32 | sing | 1.35Å | 1.35Å | |
| C30 | O31 | doub | 1.21Å | 1.23Å | |
| N32 | C33 | sing | 1.47Å | 1.46Å | |
| N19 | C17 | sing | 1.35Å | 1.36Å | |
| C33 | C42 | sing | 1.51Å | 1.51Å | |
| C37 | C42 | doub | 1.38Å | 1.39Å | Aromatic |
| C37 | C38 | sing | 1.39Å | 1.40Å | Aromatic |
| C42 | C41 | sing | 1.39Å | 1.40Å | Aromatic |
| C38 | C39 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C9 | sing | 1.51Å | 1.52Å | |
| C17 | O18 | doub | 1.21Å | 1.23Å | |
| C9 | C11 | sing | 1.53Å | 1.55Å | |
| C9 | N8 | sing | 1.46Å | 1.48Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C11 | C16 | sing | 1.53Å | 1.54Å | |
| C41 | C40 | doub | 1.38Å | 1.39Å | Aromatic |
| C39 | C40 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C16 | C15 | sing | 1.53Å | 1.54Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| O7 | C6 | doub | 1.21Å | 1.22Å | |
| N8 | C6 | sing | 1.35Å | 1.35Å | |
| C6 | C3 | sing | 1.51Å | 1.51Å | |
| C3 | C5 | sing | 1.53Å | 1.53Å | |
| C3 | N2 | sing | 1.47Å | 1.48Å | |
| N2 | C1 | sing | 1.47Å | 1.47Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| N2 | H4 | sing | 1.01Å | 1.00Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| N8 | H10 | sing | 0.97Å | 1.00Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C20 | H23 | sing | 1.09Å | 1.10Å | |
| C20 | H24 | sing | 1.09Å | 1.10Å | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C24 | H28 | sing | 1.09Å | 1.10Å | |
| C24 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| C27 | H33 | sing | 1.09Å | 1.10Å | |
| C27 | H34 | sing | 1.09Å | 1.10Å | |
| C28 | H35 | sing | 1.09Å | 1.10Å | |
| N32 | H36 | sing | 0.97Å | 1.00Å | |
| C33 | H37 | sing | 1.09Å | 1.10Å | |
| C34 | H38 | sing | 1.09Å | 1.10Å | |
| C34 | H39 | sing | 1.09Å | 1.10Å | |
| C35 | H40 | sing | 1.09Å | 1.10Å | |
| C35 | H41 | sing | 1.09Å | 1.10Å | |
| C36 | H42 | sing | 1.09Å | 1.10Å | |
| C36 | H43 | sing | 1.09Å | 1.10Å | |
| C38 | H44 | sing | 1.08Å | 1.08Å | |
| C39 | H45 | sing | 1.08Å | 1.08Å | |
| C40 | H46 | sing | 1.08Å | 1.08Å | |
| C41 | H47 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | C24 | C23 | 104.4° | 105.0° |
| C24 | C25 | N26 | 105.1° | 106.5° |
| C25 | C24 | H28 | 110.7° | 110.4° |
| C25 | C24 | H29 | 110.7° | 110.4° |
| C24 | C25 | H30 | 110.5° | 110.1° |
| C24 | C25 | H31 | 110.6° | 110.1° |
| C24 | C23 | C21 | 102.8° | 102.1° |
| C24 | C23 | H26 | 111.1° | 110.9° |
| C24 | C23 | H27 | 111.1° | 111.0° |
| C23 | C24 | H28 | 110.7° | 110.8° |
| C23 | C24 | H29 | 110.7° | 109.8° |
| C25 | N26 | C21 | 103.2° | 105.2° |
| C25 | N26 | C27 | 114.1° | 116.8° |
| N26 | C25 | H30 | 110.6° | 109.4° |
| N26 | C25 | H31 | 110.6° | 110.5° |
| C23 | C21 | N26 | 101.6° | 103.0° |
| C23 | C21 | C20 | 114.6° | 112.8° |
| C23 | C21 | H25 | 109.8° | 111.2° |
| C21 | C23 | H26 | 111.1° | 110.9° |
| C21 | C23 | H27 | 111.1° | 110.9° |
| C21 | N26 | C27 | 111.4° | 110.9° |
| N26 | C21 | C20 | 110.2° | 107.1° |
| N26 | C21 | H25 | 110.4° | 111.3° |
| N26 | C27 | C28 | 109.3° | 106.9° |
| N26 | C27 | H33 | 109.5° | 109.8° |
| N26 | C27 | H34 | 109.5° | 109.7° |
| C21 | C20 | N19 | 109.6° | 106.7° |
| C21 | C20 | H23 | 109.4° | 110.0° |
| C21 | C20 | H24 | 109.4° | 110.1° |
| C20 | C21 | H25 | 110.0° | 111.1° |
| C34 | C35 | C36 | 109.1° | 108.4° |
| C35 | C34 | C33 | 111.3° | 108.4° |
| C35 | C34 | H38 | 109.0° | 109.7° |
| C35 | C34 | H39 | 109.0° | 109.7° |
| C34 | C35 | H40 | 109.5° | 109.7° |
| C34 | C35 | H41 | 109.6° | 109.7° |
| C35 | C36 | C37 | 110.1° | 110.6° |
| C36 | C35 | H40 | 109.6° | 109.7° |
| C36 | C35 | H41 | 109.6° | 109.7° |
| C35 | C36 | H42 | 109.3° | 109.3° |
| C35 | C36 | H43 | 109.3° | 109.2° |
| C27 | C28 | C30 | 113.8° | 109.4° |
| C27 | C28 | N19 | 114.1° | 110.3° |
| C28 | C27 | H33 | 109.5° | 109.9° |
| C28 | C27 | H34 | 109.5° | 110.6° |
| C27 | C28 | H35 | 106.7° | 109.4° |
| C34 | C33 | N32 | 110.6° | 109.3° |
| C34 | C33 | C42 | 114.1° | 110.6° |
| C34 | C33 | H37 | 107.4° | 109.2° |
| C33 | C34 | H38 | 109.0° | 109.7° |
| C33 | C34 | H39 | 109.0° | 109.7° |
| C36 | C37 | C42 | 121.6° | 122.5° |
| C36 | C37 | C38 | 118.5° | 117.8° |
| C37 | C36 | H42 | 109.3° | 109.3° |
| C37 | C36 | H43 | 109.3° | 109.2° |
| C20 | N19 | C28 | 119.9° | 119.6° |
| C20 | N19 | C17 | 121.9° | 120.2° |
| N19 | C20 | H23 | 109.4° | 110.0° |
| N19 | C20 | H24 | 109.4° | 110.0° |
| C30 | C28 | N19 | 107.1° | 108.3° |
| C28 | C30 | N32 | 115.3° | 120.0° |
| C28 | C30 | O31 | 122.6° | 120.0° |
| C30 | C28 | H35 | 107.1° | 109.5° |
| C28 | N19 | C17 | 117.6° | 120.2° |
| N19 | C28 | H35 | 107.7° | 109.9° |
| N32 | C30 | O31 | 121.9° | 120.0° |
| C30 | N32 | C33 | 123.3° | 120.0° |
| C30 | N32 | H36 | 118.3° | 120.0° |
| N32 | C33 | C42 | 108.3° | 109.3° |
| C33 | N32 | H36 | 118.3° | 119.9° |
| N32 | C33 | H37 | 108.4° | 109.3° |
| N19 | C17 | C9 | 120.5° | 120.0° |
| N19 | C17 | O18 | 120.3° | 120.0° |
| C33 | C42 | C37 | 122.5° | 122.6° |
| C33 | C42 | C41 | 117.9° | 117.8° |
| C42 | C33 | H37 | 107.8° | 109.3° |
| C42 | C37 | C38 | 119.9° | 119.7° |
| C37 | C42 | C41 | 119.6° | 119.6° |
| C37 | C38 | C39 | 120.6° | 120.5° |
| C37 | C38 | H44 | 119.7° | 119.8° |
| C42 | C41 | C40 | 120.3° | 120.6° |
| C42 | C41 | H47 | 119.9° | 119.7° |
| C38 | C39 | C40 | 119.4° | 119.8° |
| C39 | C38 | H44 | 119.7° | 119.7° |
| C38 | C39 | H45 | 120.3° | 120.1° |
| C9 | C17 | O18 | 119.2° | 120.0° |
| C17 | C9 | C11 | 110.2° | 109.4° |
| C17 | C9 | N8 | 107.1° | 109.5° |
| C17 | C9 | H11 | 109.1° | 109.5° |
| C11 | C9 | N8 | 112.0° | 109.5° |
| C9 | C11 | C12 | 110.8° | 109.4° |
| C9 | C11 | C16 | 111.9° | 109.5° |
| C11 | C9 | H11 | 108.8° | 109.4° |
| C9 | C11 | H12 | 107.6° | 109.5° |
| C9 | N8 | C6 | 122.6° | 120.0° |
| C9 | N8 | H10 | 118.7° | 120.0° |
| N8 | C9 | H11 | 109.6° | 109.5° |
| C12 | C11 | C16 | 111.2° | 109.4° |
| C11 | C12 | C13 | 110.1° | 109.5° |
| C12 | C11 | H12 | 107.6° | 109.5° |
| C11 | C12 | H13 | 109.3° | 109.5° |
| C11 | C12 | H14 | 109.3° | 109.5° |
| C11 | C16 | C15 | 111.4° | 109.5° |
| C16 | C11 | H12 | 107.6° | 109.5° |
| C11 | C16 | H21 | 109.0° | 109.5° |
| C11 | C16 | H22 | 109.0° | 109.4° |
| C41 | C40 | C39 | 120.3° | 119.8° |
| C41 | C40 | H46 | 119.9° | 120.1° |
| C40 | C41 | H47 | 119.8° | 119.7° |
| C40 | C39 | H45 | 120.3° | 120.1° |
| C39 | C40 | H46 | 119.9° | 120.1° |
| C12 | C13 | C14 | 107.8° | 109.4° |
| C13 | C12 | H13 | 109.3° | 109.5° |
| C13 | C12 | H14 | 109.3° | 109.5° |
| C12 | C13 | H15 | 109.9° | 109.5° |
| C12 | C13 | H16 | 109.9° | 109.5° |
| C13 | C14 | C15 | 110.4° | 109.5° |
| C14 | C13 | H15 | 109.9° | 109.5° |
| C14 | C13 | H16 | 109.9° | 109.5° |
| C13 | C14 | H17 | 109.2° | 109.4° |
| C13 | C14 | H18 | 109.2° | 109.4° |
| C16 | C15 | C14 | 108.7° | 109.4° |
| C16 | C15 | H19 | 109.6° | 109.5° |
| C16 | C15 | H20 | 109.7° | 109.5° |
| C15 | C16 | H21 | 109.0° | 109.5° |
| C15 | C16 | H22 | 109.0° | 109.5° |
| C15 | C14 | H17 | 109.2° | 109.5° |
| C15 | C14 | H18 | 109.2° | 109.5° |
| C14 | C15 | H19 | 109.7° | 109.4° |
| C14 | C15 | H20 | 109.6° | 109.5° |
| O7 | C6 | N8 | 123.3° | 120.0° |
| O7 | C6 | C3 | 119.6° | 120.0° |
| N8 | C6 | C3 | 117.1° | 120.0° |
| C6 | N8 | H10 | 118.7° | 120.0° |
| C6 | C3 | C5 | 109.2° | 109.5° |
| C6 | C3 | N2 | 110.7° | 109.5° |
| C6 | C3 | H6 | 108.9° | 109.5° |
| C5 | C3 | N2 | 110.1° | 109.4° |
| C5 | C3 | H6 | 108.6° | 109.5° |
| C3 | C5 | H7 | 109.5° | 109.5° |
| C3 | C5 | H8 | 109.5° | 109.5° |
| C3 | C5 | H9 | 109.5° | 109.5° |
| C3 | N2 | C1 | 113.4° | 111.0° |
| C3 | N2 | H4 | 108.5° | 111.0° |
| N2 | C3 | H6 | 109.3° | 109.5° |
| N2 | C1 | H1 | 109.5° | 109.5° |
| N2 | C1 | H2 | 109.4° | 109.5° |
| N2 | C1 | H3 | 109.5° | 109.5° |
| C1 | N2 | H4 | 108.5° | 111.0° |
| H1 | C1 | H2 | 109.4° | 109.4° |
| H1 | C1 | H3 | 109.4° | 109.4° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H7 | C5 | H8 | 109.5° | 109.5° |
| H7 | C5 | H9 | 109.4° | 109.4° |
| H8 | C5 | H9 | 109.5° | 109.5° |
| H13 | C12 | H14 | 109.5° | 109.4° |
| H15 | C13 | H16 | 109.5° | 109.4° |
| H17 | C14 | H18 | 109.5° | 109.5° |
| H19 | C15 | H20 | 109.5° | 109.5° |
| H21 | C16 | H22 | 109.5° | 109.4° |
| H23 | C20 | H24 | 109.5° | 109.9° |
| H26 | C23 | H27 | 109.4° | 110.8° |
| H28 | C24 | H29 | 109.5° | 110.4° |
| H30 | C25 | H31 | 109.4° | 110.2° |
| H33 | C27 | H34 | 109.4° | 109.8° |
| H38 | C34 | H39 | 109.5° | 109.7° |
| H40 | C35 | H41 | 109.5° | 109.7° |
| H42 | C36 | H43 | 109.5° | 109.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | C24 | C23 | H28 | 119.2° | 119.2° |
| C25 | C24 | C23 | H29 | 119.2° | 118.7° |
| C24 | C25 | N26 | H30 | 119.3° | 119.0° |
| C24 | C25 | N26 | H31 | 119.3° | 119.6° |
| C25 | C24 | C23 | C21 | 18.8° | 22.2° |
| C24 | C25 | N26 | C21 | 36.3° | 28.2° |
| C24 | C25 | N26 | C27 | 157.3° | 151.6° |
| C25 | C24 | C23 | H26 | 100.2° | 140.4° |
| C25 | C24 | C23 | H27 | 137.7° | 96.0° |
| C25 | C24 | H28 | H29 | 122.4° | 122.3° |
| C24 | C25 | H30 | H31 | 122.0° | 121.7° |
| C23 | C24 | C25 | N26 | 10.1° | 2.9° |
| C24 | C23 | C21 | H26 | 119.0° | 118.2° |
| C24 | C23 | C21 | H27 | 118.9° | 118.3° |
| C24 | C23 | C21 | N26 | 41.0° | 39.4° |
| C24 | C23 | C21 | C20 | 159.8° | 154.5° |
| C24 | C23 | C21 | H25 | 75.9° | 79.9° |
| C24 | C23 | H26 | H27 | 123.1° | 123.7° |
| C23 | C24 | H28 | H29 | 122.3° | 121.8° |
| C23 | C24 | C25 | H30 | 109.2° | 115.6° |
| C23 | C24 | C25 | H31 | 129.5° | 122.7° |
| C25 | N26 | C21 | C23 | 48.4° | 42.6° |
| C25 | N26 | C21 | C27 | 122.8° | 127.1° |
| C25 | N26 | C21 | C20 | 170.3° | 161.8° |
| C25 | N26 | C27 | C28 | 176.1° | 174.4° |
| C25 | N26 | C21 | H25 | 68.0° | 76.6° |
| N26 | C25 | C24 | H28 | 109.1° | 122.4° |
| N26 | C25 | C24 | H29 | 129.3° | 115.3° |
| N26 | C25 | H30 | H31 | 122.0° | 121.6° |
| C25 | N26 | C27 | H33 | 56.2° | 66.4° |
| C25 | N26 | C27 | H34 | 63.9° | 54.4° |
| C23 | C21 | N26 | C20 | 121.9° | 119.2° |
| C23 | C21 | N26 | H25 | 116.4° | 119.2° |
| C23 | C21 | N26 | C27 | 171.2° | 169.8° |
| C23 | C21 | C20 | H25 | 124.2° | 125.6° |
| C23 | C21 | C20 | N19 | 166.7° | 170.5° |
| C23 | C21 | C20 | H23 | 46.6° | 70.2° |
| C23 | C21 | C20 | H24 | 73.3° | 51.1° |
| C21 | C23 | H26 | H27 | 123.1° | 123.6° |
| C21 | C23 | C24 | H28 | 138.0° | 97.0° |
| C21 | C23 | C24 | H29 | 100.4° | 140.8° |
| N26 | C21 | C20 | H25 | 121.9° | 121.8° |
| C21 | N26 | C27 | C28 | 59.8° | 65.1° |
| N26 | C21 | C20 | N19 | 52.8° | 57.8° |
| N26 | C21 | C20 | H23 | 67.2° | 177.2° |
| N26 | C21 | C20 | H24 | 172.8° | 61.5° |
| N26 | C21 | C23 | H26 | 78.0° | 157.6° |
| N26 | C21 | C23 | H27 | 159.9° | 78.9° |
| C21 | N26 | C25 | H30 | 83.1° | 90.8° |
| C21 | N26 | C25 | H31 | 155.6° | 147.7° |
| C21 | N26 | C27 | H33 | 60.2° | 54.1° |
| C21 | N26 | C27 | H34 | 179.8° | 174.9° |
| C27 | N26 | C21 | C20 | 66.9° | 71.0° |
| N26 | C27 | C28 | H33 | 120.0° | 119.1° |
| N26 | C27 | C28 | H34 | 120.0° | 119.4° |
| N26 | C27 | C28 | C30 | 79.7° | 68.9° |
| N26 | C27 | C28 | N19 | 43.6° | 50.2° |
| C27 | N26 | C21 | H25 | 54.8° | 50.6° |
| C27 | N26 | C25 | H30 | 38.0° | 32.6° |
| C27 | N26 | C25 | H31 | 83.4° | 88.8° |
| N26 | C27 | H33 | H34 | 120.1° | 120.8° |
| N26 | C27 | C28 | H35 | 162.4° | 171.2° |
| C21 | C20 | N19 | H23 | 120.0° | 119.3° |
| C21 | C20 | N19 | H24 | 120.0° | 119.4° |
| C21 | C20 | N19 | C28 | 40.0° | 50.5° |
| C21 | C20 | N19 | C17 | 148.8° | 129.8° |
| C21 | C20 | H23 | H24 | 119.9° | 121.4° |
| C20 | C21 | C23 | H26 | 40.8° | 87.3° |
| C20 | C21 | C23 | H27 | 81.3° | 36.2° |
| C34 | C35 | C36 | H40 | 119.9° | 119.7° |
| C34 | C35 | C36 | H41 | 119.9° | 119.8° |
| C35 | C34 | C33 | H38 | 120.3° | 119.7° |
| C35 | C34 | C33 | H39 | 120.3° | 119.8° |
| C34 | C35 | C36 | C37 | 56.1° | 51.1° |
| C35 | C34 | C33 | N32 | 85.7° | 171.3° |
| C35 | C34 | C33 | C42 | 36.8° | 51.0° |
| C35 | C34 | C33 | H37 | 156.2° | 69.2° |
| C35 | C34 | H38 | H39 | 119.2° | 120.6° |
| C34 | C35 | H40 | H41 | 120.2° | 120.6° |
| C34 | C35 | C36 | H42 | 176.2° | 69.2° |
| C34 | C35 | C36 | H43 | 64.0° | 171.4° |
| C36 | C35 | C34 | C33 | 62.8° | 69.9° |
| C35 | C36 | C37 | H42 | 120.1° | 120.3° |
| C35 | C36 | C37 | H43 | 120.1° | 120.3° |
| C35 | C36 | C37 | C42 | 26.1° | 17.6° |
| C35 | C36 | C37 | C38 | 154.8° | 162.5° |
| C36 | C35 | C34 | H38 | 57.4° | 49.8° |
| C36 | C35 | C34 | H39 | 176.9° | 170.4° |
| C36 | C35 | H40 | H41 | 120.2° | 120.5° |
| C35 | C36 | H42 | H43 | 119.7° | 119.4° |
| C27 | C28 | N19 | C20 | 35.8° | 47.0° |
| C27 | C28 | C30 | N19 | 127.0° | 120.2° |
| C27 | C28 | C30 | H35 | 117.6° | 119.9° |
| C27 | C28 | N19 | H35 | 118.2° | 120.7° |
| C27 | C28 | C30 | N32 | 73.9° | 60.1° |
| C27 | C28 | C30 | O31 | 109.2° | 120.0° |
| C27 | C28 | N19 | C17 | 152.6° | 133.4° |
| C28 | C27 | H33 | H34 | 120.1° | 121.9° |
| C34 | C33 | N32 | C30 | 82.6° | 153.9° |
| C34 | C33 | N32 | C42 | 125.8° | 121.1° |
| C34 | C33 | N32 | H37 | 117.5° | 119.4° |
| C34 | C33 | C42 | H37 | 119.2° | 120.2° |
| C34 | C33 | C42 | C37 | 5.8° | 17.5° |
| C34 | C33 | C42 | C41 | 175.9° | 162.5° |
| C34 | C33 | N32 | H36 | 97.4° | 26.1° |
| C33 | C34 | H38 | H39 | 119.2° | 120.5° |
| C33 | C34 | C35 | H40 | 57.1° | 170.4° |
| C33 | C34 | C35 | H41 | 177.2° | 49.8° |
| C36 | C37 | C42 | C33 | 0.7° | 0.4° |
| C36 | C37 | C42 | C38 | 179.1° | 179.9° |
| C36 | C37 | C42 | C41 | 178.9° | 179.7° |
| C36 | C37 | C38 | C39 | 179.8° | 179.8° |
| C37 | C36 | C35 | H40 | 63.8° | 170.9° |
| C37 | C36 | C35 | H41 | 176.1° | 68.6° |
| C37 | C36 | H42 | H43 | 119.7° | 119.4° |
| C36 | C37 | C38 | H44 | 0.2° | 0.3° |
| C20 | N19 | C28 | C30 | 91.0° | 72.7° |
| C20 | N19 | C28 | C17 | 171.6° | 179.7° |
| C20 | N19 | C17 | C9 | 4.9° | 5.2° |
| C20 | N19 | C17 | O18 | 174.3° | 174.9° |
| N19 | C20 | H23 | H24 | 119.9° | 121.4° |
| N19 | C20 | C21 | H25 | 69.1° | 63.9° |
| C20 | N19 | C28 | H35 | 154.0° | 167.7° |
| C30 | C28 | N19 | H35 | 115.0° | 119.6° |
| C28 | C30 | N32 | O31 | 177.0° | 180.0° |
| C28 | C30 | N32 | C33 | 177.9° | 180.0° |
| C30 | C28 | N19 | C17 | 80.6° | 106.9° |
| C30 | C28 | C27 | H33 | 160.3° | 172.0° |
| C30 | C28 | C27 | H34 | 40.3° | 50.6° |
| C28 | C30 | N32 | H36 | 2.1° | 0.0° |
| N19 | C28 | C30 | N32 | 159.1° | 179.7° |
| N19 | C28 | C30 | O31 | 17.8° | 0.3° |
| C28 | N19 | C17 | C9 | 176.3° | 175.1° |
| C28 | N19 | C17 | O18 | 2.9° | 4.8° |
| C28 | N19 | C20 | H23 | 80.0° | 169.9° |
| C28 | N19 | C20 | H24 | 160.0° | 68.8° |
| N19 | C28 | C27 | H33 | 76.4° | 69.0° |
| N19 | C28 | C27 | H34 | 163.5° | 169.6° |
| C30 | N32 | C33 | H36 | 180.0° | 180.0° |
| C30 | N32 | C33 | C42 | 151.6° | 85.0° |
| N32 | C30 | C28 | H35 | 43.8° | 59.8° |
| C30 | N32 | C33 | H37 | 34.9° | 34.5° |
| O31 | C30 | N32 | C33 | 0.9° | 0.0° |
| O31 | C30 | C28 | H35 | 133.2° | 120.1° |
| O31 | C30 | N32 | H36 | 179.0° | 180.0° |
| N32 | C33 | C42 | H37 | 117.1° | 119.5° |
| N32 | C33 | C42 | C37 | 117.9° | 137.8° |
| N32 | C33 | C42 | C41 | 60.4° | 42.2° |
| N32 | C33 | C34 | H38 | 154.1° | 51.7° |
| N32 | C33 | C34 | H39 | 34.6° | 68.9° |
| N19 | C17 | C9 | O18 | 179.3° | 179.9° |
| N19 | C17 | C9 | C11 | 75.6° | 80.3° |
| N19 | C17 | C9 | N8 | 162.3° | 159.7° |
| N19 | C17 | C9 | H11 | 43.7° | 39.6° |
| C17 | N19 | C20 | H23 | 91.2° | 10.5° |
| C17 | N19 | C20 | H24 | 28.8° | 110.8° |
| C17 | N19 | C28 | H35 | 34.4° | 12.6° |
| C33 | C42 | C37 | C41 | 178.3° | 179.9° |
| C33 | C42 | C37 | C38 | 179.7° | 179.7° |
| C33 | C42 | C41 | C40 | 179.9° | 179.8° |
| C42 | C33 | N32 | H36 | 28.4° | 95.0° |
| C42 | C33 | C34 | H38 | 83.5° | 68.6° |
| C42 | C33 | C34 | H39 | 157.1° | 170.8° |
| C33 | C42 | C41 | H47 | 0.1° | 0.3° |
| C42 | C37 | C38 | C39 | 1.1° | 0.2° |
| C37 | C42 | C41 | C40 | 1.5° | 0.2° |
| C37 | C42 | C33 | H37 | 125.0° | 102.7° |
| C42 | C37 | C36 | H42 | 146.2° | 102.7° |
| C42 | C37 | C36 | H43 | 94.0° | 137.9° |
| C42 | C37 | C38 | H44 | 178.9° | 179.8° |
| C37 | C42 | C41 | H47 | 178.5° | 179.8° |
| C38 | C37 | C42 | C41 | 2.0° | 0.3° |
| C37 | C38 | C39 | H44 | 180.0° | 180.0° |
| C37 | C38 | C39 | C40 | 0.2° | 0.1° |
| C38 | C37 | C36 | H42 | 34.7° | 77.2° |
| C38 | C37 | C36 | H43 | 85.1° | 42.2° |
| C37 | C38 | C39 | H45 | 179.8° | 180.0° |
| C42 | C41 | C40 | H47 | 180.0° | 180.0° |
| C42 | C41 | C40 | C39 | 0.2° | 0.1° |
| C41 | C42 | C33 | H37 | 56.7° | 77.3° |
| C42 | C41 | C40 | H46 | 179.8° | 180.0° |
| C38 | C39 | C40 | C41 | 0.7° | 0.2° |
| C38 | C39 | C40 | H45 | 180.0° | 179.9° |
| C38 | C39 | C40 | H46 | 179.3° | 179.9° |
| C17 | C9 | C11 | N8 | 119.1° | 120.0° |
| C17 | C9 | C11 | H11 | 119.5° | 120.0° |
| C17 | C9 | N8 | H11 | 118.2° | 120.1° |
| C17 | C9 | C11 | C12 | 178.1° | 174.6° |
| C17 | C9 | C11 | C16 | 53.4° | 65.4° |
| C17 | C9 | N8 | C6 | 123.3° | 155.1° |
| C17 | C9 | N8 | H10 | 56.7° | 24.9° |
| C17 | C9 | C11 | H12 | 64.6° | 54.6° |
| O18 | C17 | C9 | C11 | 103.6° | 99.8° |
| O18 | C17 | C9 | N8 | 18.4° | 20.2° |
| O18 | C17 | C9 | H11 | 137.0° | 140.3° |
| C11 | C9 | N8 | H11 | 120.9° | 119.9° |
| C9 | C11 | C12 | C16 | 125.1° | 120.0° |
| C9 | C11 | C12 | H12 | 117.3° | 120.1° |
| C9 | C11 | C16 | H12 | 117.9° | 120.1° |
| C9 | C11 | C12 | C13 | 178.8° | 180.0° |
| C9 | C11 | C16 | C15 | 178.5° | 180.0° |
| C11 | C9 | N8 | C6 | 115.8° | 85.0° |
| C11 | C9 | N8 | H10 | 64.2° | 95.0° |
| C9 | C11 | C12 | H13 | 58.7° | 60.0° |
| C9 | C11 | C12 | H14 | 61.1° | 60.0° |
| C9 | C11 | C16 | H21 | 58.2° | 59.9° |
| C9 | C11 | C16 | H22 | 61.2° | 60.0° |
| N8 | C9 | C11 | C12 | 59.0° | 65.4° |
| N8 | C9 | C11 | C16 | 65.7° | 54.6° |
| C9 | N8 | C6 | O7 | 2.8° | 0.0° |
| C9 | N8 | C6 | H10 | 180.0° | 180.0° |
| C9 | N8 | C6 | C3 | 178.9° | 180.0° |
| N8 | C9 | C11 | H12 | 176.3° | 174.6° |
| C12 | C11 | C16 | H12 | 117.6° | 120.0° |
| C11 | C12 | C13 | H13 | 120.1° | 120.0° |
| C11 | C12 | C13 | H14 | 120.1° | 120.1° |
| C11 | C12 | C13 | C14 | 60.2° | 60.0° |
| C12 | C11 | C16 | C15 | 54.0° | 60.0° |
| C12 | C11 | C9 | H11 | 62.4° | 54.6° |
| C11 | C12 | H13 | H14 | 119.7° | 120.0° |
| C11 | C12 | C13 | H15 | 59.5° | 179.9° |
| C11 | C12 | C13 | H16 | 180.0° | 60.0° |
| C12 | C11 | C16 | H21 | 66.2° | 60.0° |
| C12 | C11 | C16 | H22 | 174.3° | 180.0° |
| C16 | C11 | C12 | C13 | 56.1° | 60.0° |
| C11 | C16 | C15 | H21 | 120.3° | 120.1° |
| C11 | C16 | C15 | H22 | 120.3° | 120.0° |
| C11 | C16 | C15 | C14 | 56.0° | 60.1° |
| C16 | C11 | C9 | H11 | 172.9° | 174.6° |
| C16 | C11 | C12 | H13 | 176.2° | 180.0° |
| C16 | C11 | C12 | H14 | 64.0° | 60.0° |
| C11 | C16 | C15 | H19 | 175.9° | 180.0° |
| C11 | C16 | C15 | H20 | 63.9° | 59.9° |
| C11 | C16 | H21 | H22 | 119.1° | 119.9° |
| C41 | C40 | C39 | H46 | 180.0° | 180.0° |
| C41 | C40 | C39 | H45 | 179.3° | 179.9° |
| C40 | C39 | C38 | H44 | 179.8° | 180.0° |
| C39 | C40 | C41 | H47 | 179.8° | 180.0° |
| C12 | C13 | C14 | H15 | 119.7° | 120.0° |
| C12 | C13 | C14 | H16 | 119.7° | 120.0° |
| C12 | C13 | C14 | C15 | 64.0° | 60.0° |
| C13 | C12 | C11 | H12 | 61.4° | 60.0° |
| C13 | C12 | H13 | H14 | 119.7° | 119.9° |
| C12 | C13 | H15 | H16 | 120.8° | 120.0° |
| C12 | C13 | C14 | H17 | 175.9° | 60.0° |
| C12 | C13 | C14 | H18 | 56.2° | 180.0° |
| C13 | C14 | C15 | C16 | 61.7° | 60.0° |
| C13 | C14 | C15 | H17 | 120.1° | 120.0° |
| C13 | C14 | C15 | H18 | 120.1° | 120.0° |
| C14 | C13 | C12 | H13 | 179.7° | 180.0° |
| C14 | C13 | C12 | H14 | 59.9° | 60.1° |
| C14 | C13 | H15 | H16 | 120.8° | 120.0° |
| C13 | C14 | H17 | H18 | 119.6° | 119.9° |
| C13 | C14 | C15 | H19 | 178.4° | 180.0° |
| C13 | C14 | C15 | H20 | 58.2° | 60.0° |
| C16 | C15 | C14 | H19 | 119.9° | 120.0° |
| C16 | C15 | C14 | H20 | 119.9° | 120.0° |
| C15 | C16 | C11 | H12 | 63.6° | 59.9° |
| C16 | C15 | C14 | H17 | 178.2° | 60.0° |
| C16 | C15 | C14 | H18 | 58.5° | 180.0° |
| C16 | C15 | H19 | H20 | 120.3° | 120.0° |
| C15 | C16 | H21 | H22 | 119.1° | 120.0° |
| C15 | C14 | C13 | H15 | 55.8° | 180.0° |
| C15 | C14 | C13 | H16 | 176.3° | 60.0° |
| C15 | C14 | H17 | H18 | 119.6° | 120.0° |
| C14 | C15 | H19 | H20 | 120.3° | 120.0° |
| C14 | C15 | C16 | H21 | 64.3° | 60.0° |
| C14 | C15 | C16 | H22 | 176.3° | 180.0° |
| O7 | C6 | N8 | C3 | 178.3° | 180.0° |
| O7 | C6 | C3 | C5 | 102.8° | 120.0° |
| O7 | C6 | C3 | N2 | 18.6° | 0.0° |
| O7 | C6 | C3 | H6 | 138.8° | 120.0° |
| O7 | C6 | N8 | H10 | 177.2° | 180.0° |
| N8 | C6 | C3 | C5 | 78.8° | 60.0° |
| N8 | C6 | C3 | N2 | 159.8° | 180.0° |
| N8 | C6 | C3 | H6 | 39.6° | 60.0° |
| C6 | N8 | C9 | H11 | 5.1° | 35.0° |
| C6 | C3 | C5 | N2 | 121.7° | 119.9° |
| C6 | C3 | C5 | H6 | 118.6° | 120.1° |
| C6 | C3 | N2 | H6 | 119.9° | 120.1° |
| C6 | C3 | N2 | C1 | 70.9° | 155.0° |
| C6 | C3 | N2 | H4 | 49.7° | 31.1° |
| C6 | C3 | C5 | H7 | 180.0° | 180.0° |
| C6 | C3 | C5 | H8 | 60.0° | 60.0° |
| C6 | C3 | C5 | H9 | 60.0° | 60.1° |
| C3 | C6 | N8 | H10 | 1.1° | 0.0° |
| C5 | C3 | N2 | H6 | 119.2° | 120.0° |
| C5 | C3 | N2 | C1 | 168.3° | 85.0° |
| C5 | C3 | N2 | H4 | 71.2° | 151.0° |
| C3 | C5 | H7 | H8 | 120.0° | 120.1° |
| C3 | C5 | H7 | H9 | 120.0° | 119.9° |
| C3 | C5 | H8 | H9 | 120.0° | 120.0° |
| C3 | N2 | C1 | H4 | 120.6° | 123.9° |
| C3 | N2 | C1 | H1 | 180.0° | 60.0° |
| C3 | N2 | C1 | H2 | 60.0° | 180.0° |
| C3 | N2 | C1 | H3 | 60.0° | 60.0° |
| N2 | C3 | C5 | H7 | 58.3° | 60.1° |
| N2 | C3 | C5 | H8 | 61.7° | 60.0° |
| N2 | C3 | C5 | H9 | 178.3° | 180.0° |
| N2 | C1 | H1 | H2 | 120.0° | 120.0° |
| N2 | C1 | H1 | H3 | 120.0° | 120.0° |
| N2 | C1 | H2 | H3 | 120.0° | 120.1° |
| C1 | N2 | C3 | H6 | 49.1° | 35.0° |
| H1 | C1 | H2 | H3 | 120.0° | 119.9° |
| H1 | C1 | N2 | H4 | 59.5° | 64.0° |
| H2 | C1 | N2 | H4 | 179.4° | 56.0° |
| H3 | C1 | N2 | H4 | 60.5° | 176.1° |
| H4 | N2 | C3 | H6 | 169.6° | 89.0° |
| H6 | C3 | C5 | H7 | 61.4° | 59.9° |
| H6 | C3 | C5 | H8 | 178.6° | 180.0° |
| H6 | C3 | C5 | H9 | 58.6° | 60.0° |
| H7 | C5 | H8 | H9 | 120.0° | 119.9° |
| H10 | N8 | C9 | H11 | 175.0° | 145.0° |
| H11 | C9 | C11 | H12 | 55.0° | 65.4° |
| H12 | C11 | C12 | H13 | 58.6° | 60.0° |
| H12 | C11 | C12 | H14 | 178.5° | 180.0° |
| H12 | C11 | C16 | H21 | 176.2° | 180.0° |
| H12 | C11 | C16 | H22 | 56.7° | 60.1° |
| H13 | C12 | C13 | H15 | 60.6° | 59.9° |
| H13 | C12 | C13 | H16 | 59.9° | 60.0° |
| H14 | C12 | C13 | H15 | 179.6° | 60.0° |
| H14 | C12 | C13 | H16 | 59.9° | 179.9° |
| H15 | C13 | C14 | H17 | 64.4° | 60.0° |
| H15 | C13 | C14 | H18 | 175.9° | 60.0° |
| H16 | C13 | C14 | H17 | 56.2° | 180.0° |
| H16 | C13 | C14 | H18 | 63.6° | 60.0° |
| H17 | C14 | C15 | H19 | 58.3° | 60.0° |
| H17 | C14 | C15 | H20 | 61.9° | 180.0° |
| H18 | C14 | C15 | H19 | 61.4° | 60.0° |
| H18 | C14 | C15 | H20 | 178.3° | 60.0° |
| H19 | C15 | C16 | H21 | 55.6° | 59.9° |
| H19 | C15 | C16 | H22 | 63.8° | 60.0° |
| H20 | C15 | C16 | H21 | 175.9° | 180.0° |
| H20 | C15 | C16 | H22 | 56.4° | 60.0° |
| H23 | C20 | C21 | H25 | 170.8° | 55.4° |
| H24 | C20 | C21 | H25 | 50.9° | 176.7° |
| H25 | C21 | C23 | H26 | 165.2° | 38.2° |
| H25 | C21 | C23 | H27 | 43.1° | 161.7° |
| H26 | C23 | C24 | H28 | 19.0° | 21.2° |
| H26 | C23 | C24 | H29 | 140.7° | 101.0° |
| H27 | C23 | C24 | H28 | 103.1° | 144.8° |
| H27 | C23 | C24 | H29 | 18.6° | 22.6° |
| H28 | C24 | C25 | H30 | 131.6° | 3.9° |
| H28 | C24 | C25 | H31 | 10.3° | 117.8° |
| H29 | C24 | C25 | H30 | 10.0° | 126.2° |
| H29 | C24 | C25 | H31 | 111.4° | 4.5° |
| H33 | C27 | C28 | H35 | 42.4° | 52.0° |
| H34 | C27 | C28 | H35 | 77.6° | 69.4° |
| H36 | N32 | C33 | H37 | 145.1° | 145.5° |
| H37 | C33 | C34 | H38 | 36.0° | 171.1° |
| H37 | C33 | C34 | H39 | 83.5° | 50.5° |
| H38 | C34 | C35 | H40 | 177.4° | 70.0° |
| H38 | C34 | C35 | H41 | 62.5° | 169.5° |
| H39 | C34 | C35 | H40 | 63.2° | 50.6° |
| H39 | C34 | C35 | H41 | 57.0° | 69.9° |
| H40 | C35 | C36 | H42 | 56.3° | 50.5° |
| H40 | C35 | C36 | H43 | 176.1° | 68.9° |
| H41 | C35 | C36 | H42 | 63.8° | 171.0° |
| H41 | C35 | C36 | H43 | 56.0° | 51.6° |
| H44 | C38 | C39 | H45 | 0.2° | 0.0° |
| H45 | C39 | C40 | H46 | 0.7° | 0.1° |
| H46 | C40 | C41 | H47 | 0.2° | 0.0° |
