Q5N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C26 | C25 | doub | 1.38Å | 1.36Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C24 | sing | 1.40Å | 1.40Å | Aromatic |
| O5 | C23 | doub | 1.22Å | 1.23Å | |
| C23 | C24 | sing | 1.48Å | 1.49Å | |
| C23 | N7 | sing | 1.35Å | 1.33Å | |
| C24 | C29 | doub | 1.40Å | 1.40Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | N7 | sing | 1.46Å | 1.46Å | |
| C22 | C21 | sing | 1.53Å | 1.52Å | |
| C21 | C20 | sing | 1.53Å | 1.52Å | |
| C29 | C28 | sing | 1.39Å | 1.40Å | Aromatic |
| C29 | O7 | sing | 1.36Å | 1.35Å | |
| C28 | O6 | sing | 1.36Å | 1.37Å | |
| C20 | C19 | sing | 1.53Å | 1.52Å | |
| C19 | C18 | sing | 1.53Å | 1.54Å | |
| N8 | C18 | sing | 1.46Å | 1.47Å | |
| N8 | C30 | sing | 1.35Å | 1.31Å | |
| C18 | C17 | sing | 1.51Å | 1.53Å | |
| O10 | C36 | sing | 1.36Å | 1.35Å | |
| O9 | C35 | sing | 1.36Å | 1.38Å | |
| C36 | C35 | doub | 1.39Å | 1.40Å | Aromatic |
| C36 | C31 | sing | 1.40Å | 1.42Å | Aromatic |
| C30 | C31 | sing | 1.47Å | 1.49Å | |
| C30 | O8 | doub | 1.22Å | 1.20Å | |
| C35 | C34 | sing | 1.39Å | 1.38Å | Aromatic |
| C34 | C33 | doub | 1.39Å | 1.43Å | Aromatic |
| C31 | C32 | doub | 1.40Å | 1.40Å | Aromatic |
| C32 | C33 | sing | 1.38Å | 1.36Å | Aromatic |
| C17 | N6 | sing | 1.35Å | 1.34Å | |
| C17 | O4 | doub | 1.21Å | 1.23Å | |
| N6 | H1 | sing | 0.97Å | 1.00Å | |
| C18 | H3 | sing | 1.09Å | 1.10Å | |
| C19 | H4 | sing | 1.09Å | 1.10Å | |
| C19 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| N7 | H12 | sing | 0.97Å | 1.00Å | |
| C25 | H13 | sing | 1.08Å | 1.08Å | |
| C26 | H14 | sing | 1.08Å | 1.08Å | |
| C27 | H15 | sing | 1.08Å | 1.08Å | |
| O6 | H16 | sing | 0.97Å | 0.95Å | |
| O7 | H17 | sing | 0.97Å | 0.95Å | |
| N8 | H18 | sing | 0.97Å | 1.00Å | |
| C32 | H19 | sing | 1.08Å | 1.08Å | |
| C33 | H20 | sing | 1.08Å | 1.08Å | |
| C34 | H21 | sing | 1.08Å | 1.08Å | |
| O9 | H22 | sing | 0.97Å | 0.95Å | |
| O10 | H23 | sing | 0.97Å | 0.95Å | |
| C1 | N6 | sing | 1.47Å | 159.67Å | |
| N1 | C2 | sing | 1.34Å | 0.00Å | Aromatic |
| C2 | C3 | doub | 1.35Å | 0.00Å | Aromatic |
| C3 | N3 | sing | 1.35Å | 0.00Å | Aromatic |
| N3 | N2 | sing | 1.29Å | 0.00Å | Aromatic |
| N2 | N1 | doub | 1.29Å | 0.00Å | Aromatic |
| C1 | C2 | sing | 1.51Å | 0.00Å | |
| C4 | N3 | sing | 1.46Å | 0.00Å | |
| O1 | C4 | sing | 1.45Å | 0.00Å | |
| C5 | O1 | sing | 1.35Å | 0.00Å | |
| O2 | C5 | doub | 1.22Å | 0.00Å | |
| N4 | C7 | sing | 1.47Å | 0.00Å | |
| C7 | C8 | sing | 1.53Å | 0.00Å | |
| C8 | N5 | sing | 1.47Å | 0.00Å | |
| N5 | C10 | sing | 1.47Å | 0.00Å | |
| C10 | C11 | sing | 1.53Å | 0.00Å | |
| N4 | C5 | sing | 1.35Å | 0.00Å | |
| N4 | C11 | sing | 1.47Å | 0.00Å | |
| C6 | C9 | sing | 1.39Å | 0.00Å | Aromatic |
| C9 | C12 | doub | 1.38Å | 0.00Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 0.00Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 0.00Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 0.00Å | Aromatic |
| C15 | C6 | doub | 1.39Å | 0.00Å | Aromatic |
| F1 | C9 | sing | 1.35Å | 0.00Å | |
| H2 | C1 | sing | 1.09Å | 0.00Å | |
| H24 | C1 | sing | 1.09Å | 0.00Å | |
| H25 | C3 | sing | 1.08Å | 0.00Å | |
| H26 | C4 | sing | 1.09Å | 0.00Å | |
| H27 | C4 | sing | 1.09Å | 0.00Å | |
| H28 | C7 | sing | 1.09Å | 0.00Å | |
| H29 | C7 | sing | 1.09Å | 0.00Å | |
| H30 | C11 | sing | 1.09Å | 0.00Å | |
| H31 | C11 | sing | 1.09Å | 0.00Å | |
| H32 | C10 | sing | 1.09Å | 0.00Å | |
| H33 | C10 | sing | 1.09Å | 0.00Å | |
| H34 | C8 | sing | 1.09Å | 0.00Å | |
| H35 | C8 | sing | 1.09Å | 0.00Å | |
| C6 | N5 | sing | 1.40Å | 0.00Å | |
| H37 | C12 | sing | 1.08Å | 0.00Å | |
| H38 | C15 | sing | 1.08Å | 0.00Å | |
| H39 | C14 | sing | 1.08Å | 0.00Å | |
| N9 | C16 | sing | 1.47Å | 0.00Å | |
| C16 | C37 | sing | 1.54Å | 0.00Å | |
| C37 | O3 | sing | 1.46Å | 0.00Å | |
| O3 | C39 | sing | 1.34Å | 0.00Å | |
| C39 | N9 | sing | 1.34Å | 0.00Å | |
| N9 | C13 | sing | 1.40Å | 0.00Å | |
| O11 | C39 | doub | 1.22Å | 0.00Å | |
| H36 | C16 | sing | 1.09Å | 0.00Å | |
| H40 | C16 | sing | 1.09Å | 0.00Å | |
| C38 | C37 | sing | 1.53Å | 0.00Å | |
| H41 | C37 | sing | 1.09Å | 0.00Å | |
| N10 | C38 | sing | 1.47Å | 0.00Å | |
| H42 | N10 | sing | 0.97Å | 0.00Å | |
| C40 | N10 | sing | 1.35Å | 0.00Å | |
| C41 | C40 | sing | 1.51Å | 0.00Å | |
| O12 | C40 | doub | 1.21Å | 0.00Å | |
| H43 | C41 | sing | 1.09Å | 0.00Å | |
| H44 | C41 | sing | 1.09Å | 0.00Å | |
| H45 | C41 | sing | 1.09Å | 0.00Å | |
| H46 | C38 | sing | 1.09Å | 0.00Å | |
| H47 | C38 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | C26 | C27 | 120.1° | 120.4° |
| C26 | C25 | C24 | 121.6° | 120.0° |
| C26 | C25 | H13 | 119.2° | 120.0° |
| C25 | C26 | H14 | 119.9° | 119.8° |
| C26 | C27 | C28 | 119.9° | 120.3° |
| C27 | C26 | H14 | 120.0° | 119.8° |
| C26 | C27 | H15 | 120.1° | 119.9° |
| C25 | C24 | C23 | 119.9° | 120.2° |
| C25 | C24 | C29 | 118.1° | 119.6° |
| C24 | C25 | H13 | 119.2° | 120.0° |
| O5 | C23 | C24 | 119.9° | 120.0° |
| O5 | C23 | N7 | 121.3° | 120.0° |
| C24 | C23 | N7 | 118.8° | 120.0° |
| C23 | C24 | C29 | 122.0° | 120.2° |
| C23 | N7 | C22 | 121.7° | 120.0° |
| C23 | N7 | H12 | 119.1° | 120.0° |
| C24 | C29 | C28 | 120.3° | 119.7° |
| C24 | C29 | O7 | 123.1° | 120.1° |
| C27 | C28 | C29 | 120.0° | 120.0° |
| C27 | C28 | O6 | 121.6° | 120.0° |
| C28 | C27 | H15 | 120.0° | 119.8° |
| N7 | C22 | C21 | 112.1° | 109.5° |
| N7 | C22 | H10 | 108.8° | 109.5° |
| N7 | C22 | H11 | 108.8° | 109.5° |
| C22 | N7 | H12 | 119.2° | 120.0° |
| C22 | C21 | C20 | 113.2° | 109.5° |
| C22 | C21 | H8 | 108.5° | 109.4° |
| C22 | C21 | H9 | 108.6° | 109.5° |
| C21 | C22 | H10 | 108.8° | 109.4° |
| C21 | C22 | H11 | 108.8° | 109.5° |
| C21 | C20 | C19 | 113.2° | 109.5° |
| C21 | C20 | H6 | 108.5° | 109.4° |
| C21 | C20 | H7 | 108.5° | 109.5° |
| C20 | C21 | H8 | 108.5° | 109.5° |
| C20 | C21 | H9 | 108.5° | 109.5° |
| C28 | C29 | O7 | 116.5° | 120.2° |
| C29 | C28 | O6 | 118.4° | 120.0° |
| C29 | O7 | H17 | 109.5° | 114.0° |
| C28 | O6 | H16 | 109.5° | 114.0° |
| C20 | C19 | C18 | 116.2° | 109.5° |
| C20 | C19 | H4 | 107.7° | 109.5° |
| C20 | C19 | H5 | 107.8° | 109.4° |
| C19 | C20 | H6 | 108.5° | 109.5° |
| C19 | C20 | H7 | 108.5° | 109.5° |
| C19 | C18 | N8 | 116.4° | 109.5° |
| C19 | C18 | C17 | 113.1° | 109.5° |
| C19 | C18 | H3 | 107.3° | 109.4° |
| C18 | C19 | H4 | 107.8° | 109.5° |
| C18 | C19 | H5 | 107.8° | 109.5° |
| C18 | N8 | C30 | 126.0° | 120.0° |
| N8 | C18 | C17 | 104.1° | 109.5° |
| N8 | C18 | H3 | 108.1° | 109.5° |
| C18 | N8 | H18 | 117.0° | 120.0° |
| N8 | C30 | C31 | 118.9° | 120.0° |
| N8 | C30 | O8 | 119.4° | 120.0° |
| C30 | N8 | H18 | 117.0° | 120.0° |
| C18 | C17 | N6 | 117.0° | 120.0° |
| C18 | C17 | O4 | 119.7° | 120.0° |
| C17 | C18 | H3 | 107.5° | 109.5° |
| O10 | C36 | C35 | 116.7° | 120.2° |
| O10 | C36 | C31 | 123.0° | 120.1° |
| C36 | O10 | H23 | 109.5° | 114.0° |
| O9 | C35 | C36 | 120.5° | 120.0° |
| O9 | C35 | C34 | 119.4° | 120.0° |
| C35 | O9 | H22 | 109.5° | 114.0° |
| C35 | C36 | C31 | 120.3° | 119.7° |
| C36 | C35 | C34 | 119.9° | 120.0° |
| C36 | C31 | C30 | 122.4° | 120.2° |
| C36 | C31 | C32 | 118.3° | 119.6° |
| C31 | C30 | O8 | 121.6° | 120.0° |
| C30 | C31 | C32 | 118.5° | 120.2° |
| C35 | C34 | C33 | 119.7° | 120.3° |
| C35 | C34 | H21 | 120.1° | 119.8° |
| C34 | C33 | C32 | 119.8° | 120.4° |
| C34 | C33 | H20 | 120.1° | 119.8° |
| C33 | C34 | H21 | 120.1° | 119.9° |
| C31 | C32 | C33 | 121.4° | 120.1° |
| C31 | C32 | H19 | 119.3° | 119.9° |
| C33 | C32 | H19 | 119.3° | 120.0° |
| C32 | C33 | H20 | 120.1° | 119.8° |
| N6 | C17 | O4 | 123.2° | 120.0° |
| C17 | N6 | H1 | 150.3° | 120.1° |
| C17 | N6 | C1 | 59.5° | 120.0° |
| H1 | N6 | C1 | 150.2° | 120.0° |
| H4 | C19 | H5 | 109.5° | 109.5° |
| H6 | C20 | H7 | 109.5° | 109.4° |
| H8 | C21 | H9 | 109.5° | 109.5° |
| H10 | C22 | H11 | 109.5° | 109.5° |
| N6 | C1 | C2 | 90.0° | 109.4° |
| N6 | C1 | H2 | 90.0° | 109.5° |
| N6 | C1 | H24 | 90.0° | 109.5° |
| N1 | C2 | C3 | 90.0° | 106.5° |
| C2 | N1 | N2 | 90.0° | 108.9° |
| N1 | C2 | C1 | 90.0° | 126.7° |
| C2 | C3 | N3 | 90.0° | 106.2° |
| C3 | C2 | C1 | 90.0° | 126.7° |
| C2 | C3 | H25 | 90.0° | 126.9° |
| C3 | N3 | N2 | 90.0° | 108.3° |
| C3 | N3 | C4 | 90.0° | 125.9° |
| N3 | C3 | H25 | 90.0° | 126.9° |
| N3 | N2 | N1 | 90.0° | 110.2° |
| N2 | N3 | C4 | 90.0° | 125.9° |
| C2 | C1 | H2 | 90.0° | 109.5° |
| C2 | C1 | H24 | 90.0° | 109.5° |
| N3 | C4 | O1 | 90.0° | 109.5° |
| N3 | C4 | H26 | 90.0° | 109.5° |
| N3 | C4 | H27 | 90.0° | 109.5° |
| C4 | O1 | C5 | 90.0° | 117.0° |
| O1 | C4 | H26 | 90.0° | 109.5° |
| O1 | C4 | H27 | 90.0° | 109.5° |
| O1 | C5 | O2 | 90.0° | 120.0° |
| O1 | C5 | N4 | 90.0° | 120.0° |
| O2 | C5 | N4 | 90.0° | 120.0° |
| N4 | C7 | C8 | 90.0° | 108.5° |
| C7 | N4 | C5 | 90.0° | 120.9° |
| C7 | N4 | C11 | 90.0° | 118.2° |
| N4 | C7 | H28 | 90.0° | 109.6° |
| N4 | C7 | H29 | 90.0° | 109.6° |
| C7 | C8 | N5 | 90.0° | 109.3° |
| C8 | C7 | H28 | 90.0° | 109.7° |
| C8 | C7 | H29 | 90.0° | 109.7° |
| C7 | C8 | H34 | 90.0° | 109.5° |
| C7 | C8 | H35 | 90.0° | 109.5° |
| C8 | N5 | C10 | 90.0° | 111.3° |
| N5 | C8 | H34 | 90.0° | 109.5° |
| N5 | C8 | H35 | 90.0° | 109.5° |
| C8 | N5 | C6 | 90.0° | 111.0° |
| N5 | C10 | C11 | 90.0° | 109.4° |
| N5 | C10 | H32 | 90.0° | 109.5° |
| N5 | C10 | H33 | 90.0° | 109.4° |
| C10 | N5 | C6 | 90.0° | 111.0° |
| C10 | C11 | N4 | 90.0° | 108.8° |
| C10 | C11 | H30 | 90.0° | 109.8° |
| C10 | C11 | H31 | 90.0° | 109.2° |
| C11 | C10 | H32 | 90.0° | 109.6° |
| C11 | C10 | H33 | 90.0° | 109.3° |
| C5 | N4 | C11 | 90.0° | 120.9° |
| N4 | C11 | H30 | 90.0° | 109.6° |
| N4 | C11 | H31 | 90.0° | 109.6° |
| C6 | C9 | C12 | 90.0° | 120.0° |
| C9 | C6 | C15 | 90.0° | 120.0° |
| C6 | C9 | F1 | 90.0° | 120.0° |
| C9 | C6 | N5 | 90.0° | 120.0° |
| C9 | C12 | C13 | 90.0° | 120.0° |
| C12 | C9 | F1 | 90.0° | 120.0° |
| C9 | C12 | H37 | 90.0° | 120.0° |
| C12 | C13 | C14 | 90.0° | 120.0° |
| C13 | C12 | H37 | 90.0° | 120.1° |
| C12 | C13 | N9 | 90.0° | 120.0° |
| C13 | C14 | C15 | 90.0° | 120.1° |
| C13 | C14 | H39 | 90.0° | 119.9° |
| C14 | C13 | N9 | 90.0° | 120.0° |
| C14 | C15 | C6 | 90.0° | 120.0° |
| C14 | C15 | H38 | 90.0° | 119.9° |
| C15 | C14 | H39 | 90.0° | 120.0° |
| C15 | C6 | N5 | 90.0° | 120.0° |
| C6 | C15 | H38 | 90.0° | 120.0° |
| H2 | C1 | H24 | 90.0° | 109.5° |
| H26 | C4 | H27 | 90.0° | 109.5° |
| H28 | C7 | H29 | 90.0° | 109.8° |
| H30 | C11 | H31 | 90.0° | 109.8° |
| H32 | C10 | H33 | 90.0° | 109.5° |
| H34 | C8 | H35 | 90.0° | 109.5° |
| N9 | C16 | C37 | 90.0° | 103.8° |
| C16 | N9 | C39 | 90.0° | 108.9° |
| C16 | N9 | C13 | 90.0° | 125.6° |
| N9 | C16 | H36 | 90.0° | 110.6° |
| N9 | C16 | H40 | 90.0° | 110.5° |
| C16 | C37 | O3 | 90.0° | 104.0° |
| C37 | C16 | H36 | 90.0° | 110.5° |
| C37 | C16 | H40 | 90.0° | 110.6° |
| C16 | C37 | C38 | 90.0° | 110.5° |
| C16 | C37 | H41 | 90.0° | 110.5° |
| C37 | O3 | C39 | 90.0° | 109.5° |
| O3 | C37 | C38 | 90.0° | 110.5° |
| O3 | C37 | H41 | 90.0° | 110.6° |
| O3 | C39 | N9 | 90.0° | 113.8° |
| O3 | C39 | O11 | 90.0° | 123.1° |
| C39 | N9 | C13 | 90.0° | 125.5° |
| N9 | C39 | O11 | 90.0° | 123.1° |
| H36 | C16 | H40 | 90.0° | 110.6° |
| C38 | C37 | H41 | 90.0° | 110.6° |
| C37 | C38 | N10 | 90.0° | 109.5° |
| C37 | C38 | H46 | 90.0° | 109.5° |
| C37 | C38 | H47 | 90.0° | 109.5° |
| C38 | N10 | H42 | 90.0° | 120.0° |
| C38 | N10 | C40 | 90.0° | 120.0° |
| N10 | C38 | H46 | 90.0° | 109.5° |
| N10 | C38 | H47 | 90.0° | 109.5° |
| H42 | N10 | C40 | 90.0° | 120.0° |
| N10 | C40 | C41 | 90.0° | 119.9° |
| N10 | C40 | O12 | 90.0° | 120.0° |
| C41 | C40 | O12 | 90.0° | 120.1° |
| C40 | C41 | H43 | 90.0° | 109.5° |
| C40 | C41 | H44 | 90.0° | 109.5° |
| C40 | C41 | H45 | 90.0° | 109.4° |
| H43 | C41 | H44 | 90.0° | 109.5° |
| H43 | C41 | H45 | 90.0° | 109.5° |
| H44 | C41 | H45 | 90.0° | 109.5° |
| H46 | C38 | H47 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | C26 | C27 | H14 | 180.0° | 180.0° |
| C26 | C25 | C24 | H13 | 180.0° | 180.0° |
| C26 | C25 | C24 | C23 | 179.3° | 180.0° |
| C26 | C25 | C24 | C29 | 0.8° | 0.3° |
| C25 | C26 | C27 | C28 | 1.2° | 0.0° |
| C25 | C26 | C27 | H15 | 178.8° | 180.0° |
| C27 | C26 | C25 | C24 | 1.2° | 0.0° |
| C26 | C27 | C28 | H15 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 0.9° | 0.3° |
| C26 | C27 | C28 | O6 | 179.5° | 180.0° |
| C27 | C26 | C25 | H13 | 178.8° | 180.0° |
| C25 | C24 | C23 | O5 | 3.3° | 179.7° |
| C25 | C24 | C23 | C29 | 179.9° | 179.7° |
| C25 | C24 | C23 | N7 | 177.4° | 0.3° |
| C25 | C24 | C29 | C28 | 0.5° | 0.6° |
| C25 | C24 | C29 | O7 | 179.5° | 179.7° |
| C24 | C25 | C26 | H14 | 178.8° | 180.0° |
| O5 | C23 | C24 | N7 | 179.4° | 180.0° |
| O5 | C23 | C24 | C29 | 176.6° | 0.0° |
| O5 | C23 | N7 | C22 | 3.9° | 0.0° |
| O5 | C23 | N7 | H12 | 176.1° | 180.0° |
| C24 | C23 | N7 | C22 | 176.7° | 180.0° |
| C23 | C24 | C29 | C28 | 179.7° | 179.7° |
| C23 | C24 | C29 | O7 | 0.6° | 0.0° |
| C24 | C23 | N7 | H12 | 3.2° | 0.0° |
| C23 | C24 | C25 | H13 | 0.7° | 0.0° |
| N7 | C23 | C24 | C29 | 2.8° | 180.0° |
| C23 | N7 | C22 | H12 | 180.0° | 180.0° |
| C23 | N7 | C22 | C21 | 116.1° | 180.0° |
| C23 | N7 | C22 | H10 | 4.3° | 60.0° |
| C23 | N7 | C22 | H11 | 123.6° | 60.0° |
| C24 | C29 | C28 | C27 | 0.5° | 0.7° |
| C24 | C29 | C28 | O7 | 179.1° | 179.7° |
| C24 | C29 | C28 | O6 | 179.8° | 179.7° |
| C29 | C24 | C25 | H13 | 179.2° | 179.7° |
| C24 | C29 | O7 | H17 | 180.0° | 90.0° |
| C27 | C28 | C29 | O6 | 179.6° | 179.7° |
| C27 | C28 | C29 | O7 | 179.7° | 179.7° |
| C28 | C27 | C26 | H14 | 178.8° | 180.0° |
| C27 | C28 | O6 | H16 | 180.0° | 89.9° |
| N7 | C22 | C21 | H10 | 120.4° | 120.0° |
| N7 | C22 | C21 | H11 | 120.4° | 120.0° |
| N7 | C22 | C21 | C20 | 45.2° | 180.0° |
| N7 | C22 | C21 | H8 | 75.4° | 60.0° |
| N7 | C22 | C21 | H9 | 165.7° | 60.0° |
| N7 | C22 | H10 | H11 | 118.8° | 120.0° |
| C22 | C21 | C20 | H8 | 120.6° | 120.0° |
| C22 | C21 | C20 | H9 | 120.6° | 120.0° |
| C22 | C21 | C20 | C19 | 170.1° | 180.0° |
| C22 | C21 | C20 | H6 | 49.5° | 60.0° |
| C22 | C21 | C20 | H7 | 69.3° | 60.0° |
| C22 | C21 | H8 | H9 | 118.3° | 120.0° |
| C21 | C22 | H10 | H11 | 118.8° | 120.0° |
| C21 | C22 | N7 | H12 | 63.9° | 0.0° |
| C21 | C20 | C19 | H6 | 120.5° | 120.0° |
| C21 | C20 | C19 | H7 | 120.5° | 120.0° |
| C21 | C20 | C19 | C18 | 177.1° | 180.0° |
| C21 | C20 | C19 | H4 | 56.1° | 60.0° |
| C21 | C20 | C19 | H5 | 61.9° | 60.0° |
| C21 | C20 | H6 | H7 | 118.3° | 120.0° |
| C20 | C21 | H8 | H9 | 118.3° | 120.0° |
| C20 | C21 | C22 | H10 | 165.6° | 60.0° |
| C20 | C21 | C22 | H11 | 75.2° | 60.0° |
| C29 | C28 | C27 | H15 | 179.1° | 179.7° |
| C29 | C28 | O6 | H16 | 0.4° | 89.7° |
| C28 | C29 | O7 | H17 | 0.9° | 89.7° |
| O7 | C29 | C28 | O6 | 0.7° | 0.0° |
| O6 | C28 | C27 | H15 | 0.5° | 0.0° |
| C20 | C19 | C18 | H4 | 120.9° | 120.0° |
| C20 | C19 | C18 | H5 | 121.0° | 120.0° |
| C20 | C19 | C18 | N8 | 44.1° | 65.0° |
| C20 | C19 | C18 | C17 | 76.3° | 175.0° |
| C20 | C19 | C18 | H3 | 165.4° | 55.0° |
| C20 | C19 | H4 | H5 | 116.9° | 120.0° |
| C19 | C20 | H6 | H7 | 118.3° | 120.0° |
| C19 | C20 | C21 | H8 | 69.3° | 60.0° |
| C19 | C20 | C21 | H9 | 49.5° | 60.0° |
| C19 | C18 | N8 | C17 | 125.1° | 120.0° |
| C19 | C18 | N8 | H3 | 120.8° | 120.0° |
| C19 | C18 | N8 | C30 | 158.9° | 60.0° |
| C19 | C18 | C17 | H3 | 118.3° | 120.0° |
| C19 | C18 | C17 | N6 | 23.5° | 80.0° |
| C19 | C18 | C17 | O4 | 155.5° | 100.0° |
| C18 | C19 | H4 | H5 | 117.0° | 120.0° |
| C18 | C19 | C20 | H6 | 62.4° | 60.0° |
| C18 | C19 | C20 | H7 | 56.5° | 60.0° |
| C19 | C18 | N8 | H18 | 21.1° | 120.0° |
| C18 | N8 | C30 | H18 | 180.0° | 179.9° |
| N8 | C18 | C17 | H3 | 114.5° | 120.0° |
| C18 | N8 | C30 | C31 | 160.5° | 180.0° |
| C18 | N8 | C30 | O8 | 21.9° | 0.0° |
| N8 | C18 | C17 | N6 | 150.7° | 160.0° |
| N8 | C18 | C17 | O4 | 28.3° | 20.0° |
| N8 | C18 | C19 | H4 | 76.8° | 55.0° |
| N8 | C18 | C19 | H5 | 165.1° | 175.0° |
| C30 | N8 | C18 | C17 | 76.0° | 60.0° |
| N8 | C30 | C31 | C36 | 3.5° | 179.7° |
| N8 | C30 | C31 | O8 | 177.5° | 180.0° |
| N8 | C30 | C31 | C32 | 166.1° | 0.0° |
| C30 | N8 | C18 | H3 | 38.1° | 180.0° |
| C18 | C17 | N6 | O4 | 178.9° | 180.0° |
| C18 | C17 | N6 | H1 | 135.7° | 0.1° |
| C17 | C18 | C19 | H4 | 162.8° | 65.0° |
| C17 | C18 | C19 | H5 | 44.7° | 55.0° |
| C17 | C18 | N8 | H18 | 104.1° | 119.9° |
| C18 | C17 | N6 | C1 | 44.3° | 179.7° |
| O10 | C36 | C35 | O9 | 1.5° | 0.3° |
| O10 | C36 | C35 | C31 | 178.7° | 179.5° |
| O10 | C36 | C31 | C30 | 9.4° | 0.2° |
| O10 | C36 | C35 | C34 | 176.7° | 180.0° |
| O10 | C36 | C31 | C32 | 179.0° | 180.0° |
| O9 | C35 | C36 | C34 | 175.2° | 179.7° |
| O9 | C35 | C36 | C31 | 179.9° | 179.8° |
| O9 | C35 | C34 | C33 | 177.5° | 180.0° |
| O9 | C35 | C34 | H21 | 2.5° | 0.1° |
| C35 | C36 | C31 | C30 | 172.0° | 179.7° |
| C36 | C35 | C34 | C33 | 7.2° | 0.3° |
| C35 | C36 | C31 | C32 | 2.4° | 0.5° |
| C36 | C35 | C34 | H21 | 172.8° | 179.8° |
| C36 | C35 | O9 | H22 | 180.0° | 89.7° |
| C35 | C36 | O10 | H23 | 180.0° | 90.0° |
| C36 | C31 | C30 | C32 | 169.6° | 179.8° |
| C36 | C31 | C30 | O8 | 178.9° | 0.2° |
| C31 | C36 | C35 | C34 | 4.6° | 0.5° |
| C36 | C31 | C32 | C33 | 3.1° | 0.3° |
| C36 | C31 | C32 | H19 | 176.9° | 179.8° |
| C31 | C36 | O10 | H23 | 1.4° | 90.5° |
| C30 | C31 | C32 | C33 | 173.1° | 180.0° |
| C31 | C30 | N8 | H18 | 19.6° | 0.0° |
| C30 | C31 | C32 | H19 | 6.9° | 0.0° |
| O8 | C30 | C31 | C32 | 11.5° | 180.0° |
| O8 | C30 | N8 | H18 | 158.0° | 179.9° |
| C35 | C34 | C33 | H21 | 180.0° | 179.9° |
| C35 | C34 | C33 | C32 | 7.8° | 0.1° |
| C35 | C34 | C33 | H20 | 172.2° | 180.0° |
| C34 | C35 | O9 | H22 | 4.8° | 90.0° |
| C34 | C33 | C32 | C31 | 5.7° | 0.0° |
| C34 | C33 | C32 | H20 | 180.0° | 179.9° |
| C34 | C33 | C32 | H19 | 174.3° | 180.0° |
| C31 | C32 | C33 | H19 | 180.0° | 179.9° |
| C31 | C32 | C33 | H20 | 174.3° | 180.0° |
| C32 | C33 | C34 | H21 | 172.2° | 180.0° |
| C17 | N6 | H1 | C1 | 180.0° | 179.8° |
| N6 | C17 | C18 | H3 | 94.8° | 40.0° |
| C17 | N6 | C1 | C2 | 90.0° | 179.7° |
| C17 | N6 | C1 | H2 | 90.0° | 59.8° |
| C17 | N6 | C1 | H24 | 90.0° | 60.2° |
| O4 | C17 | N6 | H1 | 45.4° | 180.0° |
| O4 | C17 | C18 | H3 | 86.3° | 140.0° |
| O4 | C17 | N6 | C1 | 134.6° | 0.3° |
| H1 | N6 | C1 | C2 | 90.0° | 0.1° |
| H1 | N6 | C1 | H2 | 90.0° | 120.0° |
| H1 | N6 | C1 | H24 | 90.0° | 120.0° |
| H3 | C18 | C19 | H4 | 44.4° | 175.0° |
| H3 | C18 | C19 | H5 | 73.7° | 65.0° |
| H3 | C18 | N8 | H18 | 141.9° | 0.1° |
| H4 | C19 | C20 | H6 | 176.7° | 180.0° |
| H4 | C19 | C20 | H7 | 64.4° | 60.0° |
| H5 | C19 | C20 | H6 | 58.6° | 60.0° |
| H5 | C19 | C20 | H7 | 177.5° | 180.0° |
| H6 | C20 | C21 | H8 | 170.1° | 180.0° |
| H6 | C20 | C21 | H9 | 71.0° | 60.0° |
| H7 | C20 | C21 | H8 | 51.2° | 60.0° |
| H7 | C20 | C21 | H9 | 170.1° | 180.0° |
| H8 | C21 | C22 | H10 | 45.0° | 180.0° |
| H8 | C21 | C22 | H11 | 164.3° | 60.0° |
| H9 | C21 | C22 | H10 | 73.9° | 60.0° |
| H9 | C21 | C22 | H11 | 45.4° | 180.0° |
| H10 | C22 | N7 | H12 | 175.7° | 120.0° |
| H11 | C22 | N7 | H12 | 56.5° | 120.0° |
| H13 | C25 | C26 | H14 | 1.2° | 0.0° |
| H14 | C26 | C27 | H15 | 1.2° | 0.0° |
| H19 | C32 | C33 | H20 | 5.7° | 0.1° |
| H20 | C33 | C34 | H21 | 7.8° | 0.1° |
| N6 | C1 | C2 | N1 | 90.0° | 85.0° |
| N6 | C1 | C2 | C3 | 90.0° | 95.0° |
| N6 | C1 | C2 | H2 | 90.0° | 120.0° |
| N6 | C1 | C2 | H24 | 90.0° | 120.0° |
| N6 | C1 | H2 | H24 | 90.0° | 120.0° |
| N1 | C2 | C3 | C1 | 90.0° | 180.0° |
| N1 | C2 | C3 | N3 | 90.0° | 0.0° |
| C2 | N1 | N2 | N3 | 90.0° | 0.0° |
| N1 | C2 | C1 | H2 | 90.0° | 155.0° |
| N1 | C2 | C1 | H24 | 90.0° | 35.0° |
| N1 | C2 | C3 | H25 | 90.0° | 180.0° |
| C2 | C3 | N3 | H25 | 90.0° | 180.0° |
| C2 | C3 | N3 | N2 | 90.0° | 0.0° |
| C3 | C2 | N1 | N2 | 90.0° | 0.0° |
| C2 | C3 | N3 | C4 | 90.0° | 180.0° |
| C3 | C2 | C1 | H2 | 90.0° | 25.0° |
| C3 | C2 | C1 | H24 | 90.0° | 145.0° |
| C3 | N3 | N2 | C4 | 90.0° | 180.0° |
| C3 | N3 | N2 | N1 | 90.0° | 0.0° |
| N3 | C3 | C2 | C1 | 90.0° | 180.0° |
| C3 | N3 | C4 | O1 | 90.0° | 0.0° |
| C3 | N3 | C4 | H26 | 90.0° | 120.0° |
| C3 | N3 | C4 | H27 | 90.0° | 120.0° |
| N2 | N3 | C4 | O1 | 90.0° | 180.0° |
| N2 | N3 | C3 | H25 | 90.0° | 180.0° |
| N2 | N3 | C4 | H26 | 90.0° | 60.0° |
| N2 | N3 | C4 | H27 | 90.0° | 60.0° |
| N2 | N1 | C2 | C1 | 90.0° | 180.0° |
| N1 | N2 | N3 | C4 | 90.0° | 180.0° |
| C2 | C1 | H2 | H24 | 90.0° | 120.0° |
| C1 | C2 | C3 | H25 | 90.0° | 0.0° |
| N3 | C4 | O1 | H26 | 90.0° | 120.0° |
| N3 | C4 | O1 | H27 | 90.0° | 120.0° |
| N3 | C4 | O1 | C5 | 90.0° | 180.0° |
| C4 | N3 | C3 | H25 | 90.0° | 0.0° |
| N3 | C4 | H26 | H27 | 90.0° | 120.0° |
| C4 | O1 | C5 | O2 | 90.0° | 0.0° |
| C4 | O1 | C5 | N4 | 90.0° | 180.0° |
| O1 | C4 | H26 | H27 | 90.0° | 120.0° |
| O1 | C5 | O2 | N4 | 90.0° | 180.0° |
| O1 | C5 | N4 | C7 | 90.0° | 180.0° |
| O1 | C5 | N4 | C11 | 90.0° | 0.3° |
| C5 | O1 | C4 | H26 | 90.0° | 60.0° |
| C5 | O1 | C4 | H27 | 90.0° | 60.0° |
| O2 | C5 | N4 | C7 | 90.0° | 0.0° |
| O2 | C5 | N4 | C11 | 90.0° | 179.7° |
| N4 | C7 | C8 | H28 | 90.0° | 119.7° |
| N4 | C7 | C8 | H29 | 90.0° | 119.7° |
| N4 | C7 | C8 | N5 | 90.0° | 53.8° |
| C7 | N4 | C11 | C10 | 90.0° | 50.8° |
| C7 | N4 | C5 | C11 | 90.0° | 179.7° |
| N4 | C7 | H28 | H29 | 90.0° | 120.4° |
| C7 | N4 | C11 | H30 | 90.0° | 170.9° |
| C7 | N4 | C11 | H31 | 90.0° | 68.5° |
| N4 | C7 | C8 | H34 | 90.0° | 173.8° |
| N4 | C7 | C8 | H35 | 90.0° | 66.1° |
| C7 | C8 | N5 | H34 | 90.0° | 120.0° |
| C7 | C8 | N5 | H35 | 90.0° | 120.0° |
| C7 | C8 | N5 | C10 | 90.0° | 63.1° |
| C8 | C7 | N4 | C5 | 90.0° | 128.8° |
| C8 | C7 | N4 | C11 | 90.0° | 50.9° |
| C8 | C7 | H28 | H29 | 90.0° | 120.5° |
| C7 | C8 | H34 | H35 | 90.0° | 120.1° |
| C7 | C8 | N5 | C6 | 90.0° | 172.7° |
| C8 | N5 | C10 | C6 | 90.0° | 124.1° |
| C8 | N5 | C10 | C11 | 90.0° | 62.9° |
| C8 | N5 | C6 | C9 | 90.0° | 120.0° |
| C8 | N5 | C6 | C15 | 90.0° | 60.3° |
| N5 | C8 | C7 | H28 | 90.0° | 65.9° |
| N5 | C8 | C7 | H29 | 90.0° | 173.5° |
| C8 | N5 | C10 | H32 | 90.0° | 176.9° |
| C8 | N5 | C10 | H33 | 90.0° | 56.9° |
| N5 | C8 | H34 | H35 | 90.0° | 120.1° |
| N5 | C10 | C11 | H32 | 90.0° | 120.1° |
| N5 | C10 | C11 | H33 | 90.0° | 119.9° |
| N5 | C10 | C11 | N4 | 90.0° | 53.6° |
| C10 | N5 | C6 | C9 | 90.0° | 4.3° |
| C10 | N5 | C6 | C15 | 90.0° | 175.4° |
| N5 | C10 | C11 | H30 | 90.0° | 173.5° |
| N5 | C10 | C11 | H31 | 90.0° | 66.1° |
| N5 | C10 | H32 | H33 | 90.0° | 120.0° |
| C10 | N5 | C8 | H34 | 90.0° | 176.9° |
| C10 | N5 | C8 | H35 | 90.0° | 56.9° |
| C10 | C11 | N4 | C5 | 90.0° | 128.9° |
| C10 | C11 | N4 | H30 | 90.0° | 120.1° |
| C10 | C11 | N4 | H31 | 90.0° | 119.4° |
| C10 | C11 | H30 | H31 | 90.0° | 120.0° |
| C11 | C10 | H32 | H33 | 90.0° | 119.9° |
| C11 | C10 | N5 | C6 | 90.0° | 172.9° |
| C5 | N4 | C7 | H28 | 90.0° | 111.4° |
| C5 | N4 | C7 | H29 | 90.0° | 9.1° |
| C5 | N4 | C11 | H30 | 90.0° | 8.8° |
| C5 | N4 | C11 | H31 | 90.0° | 111.7° |
| C11 | N4 | C7 | H28 | 90.0° | 68.8° |
| C11 | N4 | C7 | H29 | 90.0° | 170.6° |
| N4 | C11 | H30 | H31 | 90.0° | 120.5° |
| N4 | C11 | C10 | H32 | 90.0° | 173.7° |
| N4 | C11 | C10 | H33 | 90.0° | 66.3° |
| C6 | C9 | C12 | F1 | 90.0° | 179.9° |
| C6 | C9 | C12 | C13 | 90.0° | 0.0° |
| C9 | C6 | C15 | C14 | 90.0° | 0.6° |
| C9 | C6 | C15 | N5 | 90.0° | 179.7° |
| C6 | C9 | C12 | H37 | 90.0° | 179.9° |
| C9 | C6 | C15 | H38 | 90.0° | 180.0° |
| C9 | C12 | C13 | H37 | 90.0° | 179.9° |
| C9 | C12 | C13 | C14 | 90.0° | 0.0° |
| C12 | C9 | C6 | C15 | 90.0° | 0.3° |
| C12 | C9 | C6 | N5 | 90.0° | 180.0° |
| C9 | C12 | C13 | N9 | 90.0° | 180.0° |
| C12 | C13 | C14 | N9 | 90.0° | 180.0° |
| C12 | C13 | C14 | C15 | 90.0° | 0.3° |
| C13 | C12 | C9 | F1 | 90.0° | 179.9° |
| C12 | C13 | C14 | H39 | 90.0° | 180.0° |
| C12 | C13 | N9 | C16 | 90.0° | 179.9° |
| C12 | C13 | N9 | C39 | 90.0° | 0.3° |
| C13 | C14 | C15 | H39 | 90.0° | 179.7° |
| C13 | C14 | C15 | C6 | 90.0° | 0.6° |
| C14 | C13 | C12 | H37 | 90.0° | 179.9° |
| C13 | C14 | C15 | H38 | 90.0° | 180.0° |
| C14 | C13 | N9 | C16 | 90.0° | 0.1° |
| C14 | C13 | N9 | C39 | 90.0° | 179.7° |
| C14 | C15 | C6 | H38 | 90.0° | 179.4° |
| C14 | C15 | C6 | N5 | 90.0° | 179.7° |
| C15 | C14 | C13 | N9 | 90.0° | 179.7° |
| C15 | C6 | C9 | F1 | 90.0° | 179.8° |
| C6 | C15 | C14 | H39 | 90.0° | 179.7° |
| F1 | C9 | C6 | N5 | 90.0° | 0.1° |
| F1 | C9 | C12 | H37 | 90.0° | 0.0° |
| H28 | C7 | C8 | H34 | 90.0° | 54.1° |
| H28 | C7 | C8 | H35 | 90.0° | 174.1° |
| H29 | C7 | C8 | H34 | 90.0° | 66.5° |
| H29 | C7 | C8 | H35 | 90.0° | 53.6° |
| H30 | C11 | C10 | H32 | 90.0° | 66.4° |
| H30 | C11 | C10 | H33 | 90.0° | 53.7° |
| H31 | C11 | C10 | H32 | 90.0° | 54.0° |
| H31 | C11 | C10 | H33 | 90.0° | 174.0° |
| H32 | C10 | N5 | C6 | 90.0° | 52.8° |
| H33 | C10 | N5 | C6 | 90.0° | 67.3° |
| H34 | C8 | N5 | C6 | 90.0° | 52.8° |
| H35 | C8 | N5 | C6 | 90.0° | 67.3° |
| N5 | C6 | C15 | H38 | 90.0° | 0.3° |
| H37 | C12 | C13 | N9 | 90.0° | 0.1° |
| H38 | C15 | C14 | H39 | 90.0° | 0.3° |
| H39 | C14 | C13 | N9 | 90.0° | 0.0° |
| N9 | C16 | C37 | H36 | 90.0° | 118.6° |
| N9 | C16 | C37 | H40 | 90.0° | 118.6° |
| N9 | C16 | C37 | O3 | 90.0° | 0.0° |
| C16 | N9 | C39 | O3 | 90.0° | 0.4° |
| C16 | N9 | C39 | C13 | 90.0° | 179.8° |
| C16 | N9 | C39 | O11 | 90.0° | 180.0° |
| N9 | C16 | H36 | H40 | 90.0° | 122.8° |
| N9 | C16 | C37 | C38 | 90.0° | 118.7° |
| N9 | C16 | C37 | H41 | 90.0° | 118.6° |
| C16 | C37 | O3 | C38 | 90.0° | 118.6° |
| C16 | C37 | O3 | H41 | 90.0° | 118.6° |
| C16 | C37 | O3 | C39 | 90.0° | 0.2° |
| C37 | C16 | N9 | C39 | 90.0° | 0.2° |
| C37 | C16 | N9 | C13 | 90.0° | 180.0° |
| C37 | C16 | H36 | H40 | 90.0° | 122.8° |
| C16 | C37 | C38 | H41 | 90.0° | 122.7° |
| C16 | C37 | C38 | N10 | 90.0° | 180.0° |
| C16 | C37 | C38 | H46 | 90.0° | 60.0° |
| C16 | C37 | C38 | H47 | 90.0° | 60.0° |
| C37 | O3 | C39 | N9 | 90.0° | 0.4° |
| C37 | O3 | C39 | O11 | 90.0° | 180.0° |
| O3 | C37 | C16 | H36 | 90.0° | 118.6° |
| O3 | C37 | C16 | H40 | 90.0° | 118.6° |
| O3 | C37 | C38 | H41 | 90.0° | 122.8° |
| O3 | C37 | C38 | N10 | 90.0° | 65.4° |
| O3 | C37 | C38 | H46 | 90.0° | 54.6° |
| O3 | C37 | C38 | H47 | 90.0° | 174.6° |
| O3 | C39 | N9 | O11 | 90.0° | 179.6° |
| O3 | C39 | N9 | C13 | 90.0° | 179.8° |
| C39 | O3 | C37 | C38 | 90.0° | 118.9° |
| C39 | O3 | C37 | H41 | 90.0° | 118.3° |
| C39 | N9 | C16 | H36 | 90.0° | 118.8° |
| C39 | N9 | C16 | H40 | 90.0° | 118.4° |
| C13 | N9 | C39 | O11 | 90.0° | 0.2° |
| C13 | N9 | C16 | H36 | 90.0° | 61.4° |
| C13 | N9 | C16 | H40 | 90.0° | 61.4° |
| H36 | C16 | C37 | C38 | 90.0° | 0.1° |
| H36 | C16 | C37 | H41 | 90.0° | 122.8° |
| H40 | C16 | C37 | C38 | 90.0° | 122.8° |
| H40 | C16 | C37 | H41 | 90.0° | 0.1° |
| C37 | C38 | N10 | H46 | 90.0° | 120.0° |
| C37 | C38 | N10 | H47 | 90.0° | 120.0° |
| C37 | C38 | N10 | H42 | 90.0° | 0.0° |
| C37 | C38 | N10 | C40 | 90.0° | 180.0° |
| C37 | C38 | H46 | H47 | 90.0° | 120.0° |
| H41 | C37 | C38 | N10 | 90.0° | 57.4° |
| H41 | C37 | C38 | H46 | 90.0° | 177.3° |
| H41 | C37 | C38 | H47 | 90.0° | 62.7° |
| C38 | N10 | H42 | C40 | 90.0° | 180.0° |
| C38 | N10 | C40 | C41 | 90.0° | 180.0° |
| C38 | N10 | C40 | O12 | 90.0° | 0.0° |
| N10 | C38 | H46 | H47 | 90.0° | 120.0° |
| H42 | N10 | C40 | C41 | 90.0° | 0.0° |
| H42 | N10 | C40 | O12 | 90.0° | 180.0° |
| H42 | N10 | C38 | H46 | 90.0° | 120.0° |
| H42 | N10 | C38 | H47 | 90.0° | 120.0° |
| N10 | C40 | C41 | O12 | 90.0° | 180.0° |
| N10 | C40 | C41 | H43 | 90.0° | 0.0° |
| N10 | C40 | C41 | H44 | 90.0° | 120.0° |
| N10 | C40 | C41 | H45 | 90.0° | 120.0° |
| C40 | N10 | C38 | H46 | 90.0° | 60.0° |
| C40 | N10 | C38 | H47 | 90.0° | 60.0° |
| C40 | C41 | H43 | H44 | 90.0° | 120.0° |
| C40 | C41 | H43 | H45 | 90.0° | 119.9° |
| C40 | C41 | H44 | H45 | 90.0° | 119.9° |
| O12 | C40 | C41 | H43 | 90.0° | 180.0° |
| O12 | C40 | C41 | H44 | 90.0° | 59.9° |
| O12 | C40 | C41 | H45 | 90.0° | 60.0° |
| H43 | C41 | H44 | H45 | 90.0° | 120.1° |
