A1IZP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C38 | C39 | sing | 1.55Å | 1.53Å | |
| C38 | C37 | sing | 1.55Å | 1.50Å | |
| C39 | N7 | sing | 1.48Å | 1.47Å | |
| O4 | C40 | doub | 1.21Å | 1.26Å | |
| C40 | O3 | sing | 1.34Å | 1.26Å | |
| C40 | C37 | sing | 1.51Å | 1.50Å | |
| C37 | C36 | sing | 1.54Å | 1.52Å | |
| N7 | C36 | sing | 1.47Å | 1.46Å | |
| N7 | C35 | sing | 1.47Å | 1.46Å | |
| C35 | C34 | sing | 1.51Å | 1.50Å | |
| C41 | C34 | doub | 1.38Å | 1.40Å | Aromatic |
| C41 | C2 | sing | 1.40Å | 1.41Å | Aromatic |
| C34 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.47Å | 1.43Å | |
| C2 | C3 | doub | 1.40Å | 1.44Å | Aromatic |
| C1 | N1 | doub | 1.29Å | 1.15Å | |
| C33 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.40Å | 1.38Å | Aromatic |
| C3 | O2 | sing | 1.35Å | 1.40Å | Aromatic |
| C4 | N2 | sing | 1.36Å | 1.39Å | Aromatic |
| O2 | C5 | sing | 1.35Å | 1.40Å | Aromatic |
| N2 | C5 | doub | 1.31Å | 1.28Å | Aromatic |
| C5 | C6 | sing | 1.48Å | 1.43Å | |
| C6 | C31 | doub | 1.40Å | 1.41Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| C31 | C30 | sing | 1.38Å | 1.38Å | Aromatic |
| C32 | C7 | sing | 1.51Å | 1.52Å | |
| C7 | C8 | doub | 1.39Å | 1.42Å | Aromatic |
| C30 | C29 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C29 | sing | 1.39Å | 1.40Å | Aromatic |
| C8 | C9 | sing | 1.48Å | 1.50Å | |
| C27 | C9 | doub | 1.39Å | 1.42Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.44Å | Aromatic |
| C26 | C25 | doub | 1.38Å | 1.42Å | Aromatic |
| C10 | C28 | sing | 1.51Å | 1.51Å | |
| C10 | C11 | doub | 1.39Å | 1.42Å | Aromatic |
| C11 | C25 | sing | 1.39Å | 1.41Å | Aromatic |
| C11 | N3 | sing | 1.40Å | 1.43Å | |
| N3 | C12 | sing | 1.39Å | 1.36Å | |
| C12 | N4 | doub | 1.32Å | 1.35Å | Aromatic |
| C12 | C16 | sing | 1.42Å | 1.40Å | Aromatic |
| N5 | C16 | sing | 1.33Å | 1.37Å | Aromatic |
| N5 | C17 | doub | 1.31Å | 1.32Å | Aromatic |
| N4 | C13 | sing | 1.33Å | 1.38Å | Aromatic |
| C16 | C15 | doub | 1.42Å | 1.43Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.43Å | Aromatic |
| C13 | C14 | doub | 1.36Å | 1.36Å | Aromatic |
| C15 | C14 | sing | 1.41Å | 1.41Å | Aromatic |
| C15 | C24 | sing | 1.40Å | 1.41Å | Aromatic |
| C18 | C24 | doub | 1.37Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.51Å | 1.50Å | |
| C19 | N6 | sing | 1.47Å | 1.48Å | |
| C20 | N6 | sing | 1.48Å | 1.48Å | |
| C20 | C21 | sing | 1.55Å | 1.54Å | |
| N6 | C23 | sing | 1.47Å | 1.47Å | |
| C23 | C22 | sing | 1.54Å | 1.51Å | |
| C21 | C22 | sing | 1.55Å | 1.53Å | |
| C22 | O1 | sing | 1.43Å | 1.40Å | |
| C17 | H1 | sing | 1.08Å | 1.08Å | |
| C19 | H2 | sing | 1.09Å | 1.10Å | |
| C19 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C23 | H9 | sing | 1.09Å | 1.10Å | |
| C23 | H10 | sing | 1.09Å | 1.10Å | |
| C24 | H11 | sing | 1.08Å | 1.08Å | |
| C25 | H12 | sing | 1.08Å | 1.08Å | |
| C26 | H13 | sing | 1.08Å | 1.08Å | |
| C27 | H14 | sing | 1.08Å | 1.08Å | |
| C28 | H15 | sing | 1.09Å | 1.10Å | |
| C28 | H16 | sing | 1.09Å | 1.10Å | |
| C28 | H17 | sing | 1.09Å | 1.10Å | |
| N1 | H18 | sing | 0.97Å | 1.00Å | |
| C1 | H19 | sing | 1.08Å | 1.08Å | |
| N3 | H20 | sing | 0.97Å | 1.00Å | |
| C13 | H21 | sing | 1.08Å | 1.08Å | |
| C14 | H22 | sing | 1.08Å | 1.08Å | |
| O1 | H24 | sing | 0.97Å | 0.95Å | |
| C29 | H25 | sing | 1.08Å | 1.08Å | |
| C30 | H26 | sing | 1.08Å | 1.08Å | |
| C31 | H27 | sing | 1.08Å | 1.08Å | |
| C32 | H28 | sing | 1.09Å | 1.10Å | |
| C32 | H29 | sing | 1.09Å | 1.10Å | |
| C32 | H30 | sing | 1.09Å | 1.10Å | |
| C33 | H31 | sing | 1.08Å | 1.08Å | |
| C35 | H32 | sing | 1.09Å | 1.10Å | |
| C35 | H33 | sing | 1.09Å | 1.10Å | |
| C36 | H35 | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C38 | H39 | sing | 1.09Å | 1.10Å | |
| C39 | H40 | sing | 1.09Å | 1.10Å | |
| C39 | H41 | sing | 1.09Å | 1.10Å | |
| O3 | H42 | sing | 0.97Å | 0.95Å | |
| C41 | H43 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C39 | C38 | C37 | 99.2° | 101.6° |
| C38 | C39 | N7 | 105.2° | 104.8° |
| C39 | C38 | H38 | 112.0° | 111.0° |
| C39 | C38 | H39 | 112.0° | 111.0° |
| C38 | C39 | H40 | 110.6° | 110.3° |
| C38 | C39 | H41 | 110.5° | 110.3° |
| C38 | C37 | C40 | 115.3° | 110.9° |
| C38 | C37 | C36 | 103.4° | 103.0° |
| C38 | C37 | H37 | 108.4° | 110.7° |
| C37 | C38 | H38 | 111.9° | 111.0° |
| C37 | C38 | H39 | 112.0° | 111.0° |
| C39 | N7 | C36 | 109.8° | 108.6° |
| C39 | N7 | C35 | 109.5° | 111.0° |
| N7 | C39 | H40 | 110.5° | 110.4° |
| N7 | C39 | H41 | 110.5° | 110.4° |
| O4 | C40 | O3 | 126.5° | 120.0° |
| O4 | C40 | C37 | 117.0° | 120.0° |
| O3 | C40 | C37 | 116.4° | 120.0° |
| C40 | O3 | H42 | 109.5° | 117.0° |
| C40 | C37 | C36 | 112.8° | 110.7° |
| C40 | C37 | H37 | 108.4° | 110.6° |
| C37 | C36 | N7 | 98.0° | 107.2° |
| C37 | C36 | H35 | 112.2° | 109.9° |
| C37 | C36 | H36 | 112.2° | 110.0° |
| C36 | C37 | H37 | 108.1° | 110.7° |
| C36 | N7 | C35 | 117.7° | 111.0° |
| N7 | C36 | H35 | 112.2° | 109.9° |
| N7 | C36 | H36 | 112.3° | 109.8° |
| N7 | C35 | C34 | 114.7° | 109.5° |
| N7 | C35 | H32 | 108.1° | 109.5° |
| N7 | C35 | H33 | 108.2° | 109.5° |
| C35 | C34 | C41 | 127.4° | 119.7° |
| C35 | C34 | C33 | 112.1° | 119.7° |
| C34 | C35 | H32 | 108.1° | 109.4° |
| C34 | C35 | H33 | 108.1° | 109.5° |
| C34 | C41 | C2 | 118.4° | 120.3° |
| C41 | C34 | C33 | 120.5° | 120.6° |
| C34 | C41 | H43 | 120.8° | 119.8° |
| C41 | C2 | C1 | 138.5° | 120.2° |
| C41 | C2 | C3 | 121.5° | 119.6° |
| C2 | C41 | H43 | 120.8° | 119.9° |
| C34 | C33 | C4 | 120.5° | 120.1° |
| C34 | C33 | H31 | 119.7° | 119.9° |
| C1 | C2 | C3 | 100.0° | 120.2° |
| C2 | C1 | N1 | 154.3° | 120.0° |
| C2 | C1 | H19 | 102.9° | 120.0° |
| C2 | C3 | C4 | 117.2° | 119.6° |
| C2 | C3 | O2 | 134.4° | 133.9° |
| C1 | N1 | H18 | 112.0° | 120.0° |
| N1 | C1 | H19 | 102.8° | 120.0° |
| C33 | C4 | C3 | 121.8° | 119.8° |
| C33 | C4 | N2 | 129.5° | 133.6° |
| C4 | C33 | H31 | 119.7° | 120.0° |
| C4 | C3 | O2 | 108.4° | 106.5° |
| C3 | C4 | N2 | 108.7° | 106.6° |
| C3 | O2 | C5 | 102.1° | 108.1° |
| C4 | N2 | C5 | 105.3° | 108.7° |
| O2 | C5 | N2 | 115.2° | 110.0° |
| O2 | C5 | C6 | 116.5° | 125.0° |
| N2 | C5 | C6 | 127.9° | 125.0° |
| C5 | C6 | C31 | 117.0° | 120.1° |
| C5 | C6 | C7 | 121.7° | 120.1° |
| C31 | C6 | C7 | 121.3° | 119.9° |
| C6 | C31 | C30 | 120.3° | 120.1° |
| C6 | C31 | H27 | 119.9° | 120.0° |
| C6 | C7 | C32 | 122.7° | 120.2° |
| C6 | C7 | C8 | 117.5° | 119.7° |
| C31 | C30 | C29 | 119.4° | 120.3° |
| C31 | C30 | H26 | 120.3° | 119.9° |
| C30 | C31 | H27 | 119.8° | 120.0° |
| C32 | C7 | C8 | 119.5° | 120.1° |
| C7 | C32 | H28 | 109.5° | 109.5° |
| C7 | C32 | H29 | 109.5° | 109.4° |
| C7 | C32 | H30 | 109.5° | 109.4° |
| C7 | C8 | C29 | 120.0° | 119.9° |
| C7 | C8 | C9 | 123.5° | 120.0° |
| C30 | C29 | C8 | 121.4° | 120.2° |
| C30 | C29 | H25 | 119.3° | 119.9° |
| C29 | C30 | H26 | 120.3° | 119.8° |
| C29 | C8 | C9 | 115.7° | 120.1° |
| C8 | C29 | H25 | 119.3° | 119.9° |
| C8 | C9 | C27 | 113.1° | 120.1° |
| C8 | C9 | C10 | 125.9° | 120.1° |
| C9 | C27 | C26 | 119.7° | 120.0° |
| C27 | C9 | C10 | 120.6° | 119.9° |
| C9 | C27 | H14 | 120.1° | 120.0° |
| C27 | C26 | C25 | 120.5° | 120.2° |
| C27 | C26 | H13 | 119.8° | 119.9° |
| C26 | C27 | H14 | 120.1° | 120.0° |
| C9 | C10 | C28 | 121.5° | 120.1° |
| C9 | C10 | C11 | 118.7° | 119.8° |
| C26 | C25 | C11 | 120.1° | 120.2° |
| C26 | C25 | H12 | 120.0° | 119.9° |
| C25 | C26 | H13 | 119.7° | 119.9° |
| C28 | C10 | C11 | 119.7° | 120.1° |
| C10 | C28 | H15 | 109.5° | 109.5° |
| C10 | C28 | H16 | 109.5° | 109.5° |
| C10 | C28 | H17 | 109.5° | 109.5° |
| C10 | C11 | C25 | 120.2° | 119.9° |
| C10 | C11 | N3 | 117.2° | 120.1° |
| C25 | C11 | N3 | 122.5° | 120.0° |
| C11 | C25 | H12 | 120.0° | 119.9° |
| C11 | N3 | C12 | 126.2° | 120.0° |
| C11 | N3 | H20 | 116.9° | 120.0° |
| N3 | C12 | N4 | 124.6° | 120.1° |
| N3 | C12 | C16 | 115.8° | 120.1° |
| C12 | N3 | H20 | 116.9° | 120.0° |
| N4 | C12 | C16 | 119.5° | 119.8° |
| C12 | N4 | C13 | 120.9° | 122.7° |
| C12 | C16 | N5 | 117.2° | 121.9° |
| C12 | C16 | C15 | 118.4° | 118.2° |
| C16 | N5 | C17 | 116.4° | 121.2° |
| N5 | C16 | C15 | 124.4° | 119.9° |
| N5 | C17 | C18 | 123.8° | 121.8° |
| N5 | C17 | H1 | 118.1° | 119.1° |
| N4 | C13 | C14 | 123.5° | 121.8° |
| N4 | C13 | H21 | 118.2° | 119.1° |
| C16 | C15 | C14 | 121.1° | 118.5° |
| C16 | C15 | C24 | 116.8° | 119.2° |
| C17 | C18 | C24 | 119.2° | 119.9° |
| C17 | C18 | C19 | 123.2° | 120.0° |
| C18 | C17 | H1 | 118.1° | 119.1° |
| C13 | C14 | C15 | 116.5° | 118.9° |
| C14 | C13 | H21 | 118.3° | 119.1° |
| C13 | C14 | H22 | 121.8° | 120.6° |
| C14 | C15 | C24 | 122.1° | 122.3° |
| C15 | C14 | H22 | 121.7° | 120.5° |
| C15 | C24 | C18 | 119.4° | 118.0° |
| C15 | C24 | H11 | 120.3° | 121.1° |
| C24 | C18 | C19 | 117.5° | 120.0° |
| C18 | C24 | H11 | 120.3° | 121.0° |
| C18 | C19 | N6 | 116.7° | 109.5° |
| C18 | C19 | H2 | 107.7° | 109.5° |
| C18 | C19 | H3 | 107.6° | 109.5° |
| C19 | N6 | C20 | 114.2° | 111.0° |
| C19 | N6 | C23 | 126.9° | 111.0° |
| N6 | C19 | H2 | 107.6° | 109.4° |
| N6 | C19 | H3 | 107.6° | 109.4° |
| N6 | C20 | C21 | 104.0° | 104.8° |
| C20 | N6 | C23 | 104.0° | 108.6° |
| N6 | C20 | H4 | 110.8° | 110.4° |
| N6 | C20 | H5 | 110.8° | 110.3° |
| C20 | C21 | C22 | 103.6° | 101.7° |
| C21 | C20 | H4 | 110.8° | 110.4° |
| C21 | C20 | H5 | 110.8° | 110.4° |
| C20 | C21 | H6 | 110.9° | 111.0° |
| C20 | C21 | H7 | 110.9° | 111.0° |
| N6 | C23 | C22 | 100.8° | 107.2° |
| N6 | C23 | H9 | 111.6° | 109.9° |
| N6 | C23 | H10 | 111.6° | 110.0° |
| C23 | C22 | C21 | 105.6° | 103.0° |
| C23 | C22 | O1 | 105.9° | 110.7° |
| C23 | C22 | H8 | 113.9° | 110.8° |
| C22 | C23 | H9 | 111.6° | 109.9° |
| C22 | C23 | H10 | 111.6° | 109.8° |
| C21 | C22 | O1 | 100.7° | 110.7° |
| C22 | C21 | H6 | 110.9° | 111.0° |
| C22 | C21 | H7 | 110.9° | 111.0° |
| C21 | C22 | H8 | 113.5° | 110.7° |
| O1 | C22 | H8 | 115.9° | 110.6° |
| C22 | O1 | H24 | 109.5° | 114.0° |
| H2 | C19 | H3 | 109.5° | 109.5° |
| H4 | C20 | H5 | 109.5° | 110.5° |
| H6 | C21 | H7 | 109.5° | 110.8° |
| H9 | C23 | H10 | 109.5° | 109.9° |
| H15 | C28 | H16 | 109.5° | 109.5° |
| H15 | C28 | H17 | 109.4° | 109.4° |
| H16 | C28 | H17 | 109.5° | 109.4° |
| H28 | C32 | H29 | 109.5° | 109.5° |
| H28 | C32 | H30 | 109.5° | 109.5° |
| H29 | C32 | H30 | 109.5° | 109.5° |
| H32 | C35 | H33 | 109.5° | 109.4° |
| H35 | C36 | H36 | 109.5° | 109.9° |
| H38 | C38 | H39 | 109.5° | 110.9° |
| H40 | C39 | H41 | 109.5° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C39 | C38 | C37 | H38 | 118.3° | 118.1° |
| C39 | C38 | C37 | H39 | 118.3° | 118.1° |
| C38 | C39 | N7 | H40 | 119.3° | 118.8° |
| C38 | C39 | N7 | H41 | 119.3° | 118.8° |
| C39 | C38 | C37 | C40 | 169.9° | 154.1° |
| C39 | C38 | C37 | C36 | 46.3° | 35.7° |
| C38 | C39 | N7 | C36 | 2.4° | 24.1° |
| C38 | C39 | N7 | C35 | 128.2° | 146.4° |
| C39 | C38 | C37 | H37 | 68.4° | 82.7° |
| C39 | C38 | H38 | H39 | 124.8° | 123.9° |
| C38 | C39 | H40 | H41 | 122.0° | 122.2° |
| C37 | C38 | C39 | N7 | 26.7° | 37.1° |
| C38 | C37 | C40 | O4 | 103.9° | 113.7° |
| C38 | C37 | C40 | O3 | 79.2° | 66.3° |
| C38 | C37 | C40 | C36 | 118.6° | 113.7° |
| C38 | C37 | C40 | H37 | 121.7° | 123.2° |
| C38 | C37 | C36 | H37 | 114.9° | 118.4° |
| C38 | C37 | C36 | N7 | 47.4° | 22.3° |
| C38 | C37 | C36 | H35 | 165.5° | 97.2° |
| C38 | C37 | C36 | H36 | 70.7° | 141.7° |
| C37 | C38 | H38 | H39 | 124.8° | 123.8° |
| C37 | C38 | C39 | H40 | 146.1° | 81.8° |
| C37 | C38 | C39 | H41 | 92.6° | 155.9° |
| C39 | N7 | C36 | C37 | 29.9° | 1.0° |
| C39 | N7 | C36 | C35 | 126.1° | 122.2° |
| C39 | N7 | C35 | C34 | 166.0° | 69.2° |
| C39 | N7 | C35 | H32 | 45.2° | 170.8° |
| C39 | N7 | C35 | H33 | 73.3° | 50.8° |
| C39 | N7 | C36 | H35 | 148.0° | 120.4° |
| C39 | N7 | C36 | H36 | 88.2° | 118.6° |
| N7 | C39 | C38 | H38 | 145.0° | 81.0° |
| N7 | C39 | C38 | H39 | 91.6° | 155.2° |
| N7 | C39 | H40 | H41 | 122.0° | 122.4° |
| O4 | C40 | O3 | C37 | 176.5° | 180.0° |
| O4 | C40 | C37 | C36 | 14.7° | 0.1° |
| O4 | C40 | C37 | H37 | 134.4° | 123.1° |
| O4 | C40 | O3 | H42 | 0.0° | 0.0° |
| O3 | C40 | C37 | C36 | 162.2° | 180.0° |
| O3 | C40 | C37 | H37 | 42.5° | 56.9° |
| C40 | C37 | C36 | H37 | 119.9° | 123.1° |
| C40 | C37 | C36 | N7 | 172.7° | 140.9° |
| C40 | C37 | C36 | H35 | 69.2° | 21.4° |
| C40 | C37 | C36 | H36 | 54.6° | 99.7° |
| C40 | C37 | C38 | H38 | 71.7° | 36.0° |
| C40 | C37 | C38 | H39 | 51.6° | 87.8° |
| C37 | C40 | O3 | H42 | 176.6° | 180.0° |
| C37 | C36 | N7 | H35 | 118.1° | 119.4° |
| C37 | C36 | N7 | H36 | 118.1° | 119.6° |
| C37 | C36 | N7 | C35 | 96.2° | 123.2° |
| C37 | C36 | H35 | H36 | 125.3° | 121.2° |
| C36 | C37 | C38 | H38 | 164.6° | 82.4° |
| C36 | C37 | C38 | H39 | 72.1° | 153.8° |
| C36 | N7 | C35 | C34 | 67.8° | 170.0° |
| C36 | N7 | C35 | H32 | 171.4° | 50.0° |
| C36 | N7 | C35 | H33 | 53.0° | 70.0° |
| N7 | C36 | H35 | H36 | 125.4° | 121.0° |
| N7 | C36 | C37 | H37 | 67.4° | 96.1° |
| C36 | N7 | C39 | H40 | 116.9° | 94.8° |
| C36 | N7 | C39 | H41 | 121.7° | 142.9° |
| N7 | C35 | C34 | H32 | 120.8° | 120.0° |
| N7 | C35 | C34 | H33 | 120.8° | 120.1° |
| N7 | C35 | C34 | C41 | 26.6° | 89.7° |
| N7 | C35 | C34 | C33 | 153.3° | 90.0° |
| N7 | C35 | H32 | H33 | 117.6° | 120.0° |
| C35 | N7 | C36 | H35 | 21.9° | 117.3° |
| C35 | N7 | C36 | H36 | 145.7° | 3.6° |
| C35 | N7 | C39 | H40 | 112.5° | 27.5° |
| C35 | N7 | C39 | H41 | 8.9° | 94.9° |
| C35 | C34 | C41 | C33 | 179.9° | 179.7° |
| C35 | C34 | C41 | C2 | 178.6° | 179.7° |
| C35 | C34 | C33 | C4 | 178.6° | 180.0° |
| C35 | C34 | C33 | H31 | 1.3° | 0.1° |
| C34 | C35 | H32 | H33 | 117.6° | 120.0° |
| C35 | C34 | C41 | H43 | 1.4° | 0.2° |
| C34 | C41 | C2 | H43 | 180.0° | 179.5° |
| C34 | C41 | C2 | C1 | 178.8° | 179.7° |
| C34 | C41 | C2 | C3 | 1.5° | 0.6° |
| C41 | C34 | C33 | C4 | 1.3° | 0.3° |
| C41 | C34 | C33 | H31 | 178.7° | 179.8° |
| C41 | C34 | C35 | H32 | 94.2° | 30.3° |
| C41 | C34 | C35 | H33 | 147.4° | 150.3° |
| C2 | C41 | C34 | C33 | 1.3° | 0.6° |
| C41 | C2 | C1 | C3 | 179.8° | 179.7° |
| C41 | C2 | C1 | N1 | 172.3° | 179.7° |
| C41 | C2 | C3 | C4 | 1.5° | 0.3° |
| C41 | C2 | C3 | O2 | 178.4° | 179.7° |
| C41 | C2 | C1 | H19 | 7.7° | 0.3° |
| C34 | C33 | C4 | H31 | 180.0° | 180.0° |
| C34 | C33 | C4 | C3 | 1.4° | 0.1° |
| C34 | C33 | C4 | N2 | 178.0° | 180.0° |
| C33 | C34 | C35 | H32 | 85.9° | 150.0° |
| C33 | C34 | C35 | H33 | 32.5° | 30.0° |
| C33 | C34 | C41 | H43 | 178.7° | 179.9° |
| C2 | C1 | N1 | H19 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 178.7° | 179.9° |
| C1 | C2 | C3 | O2 | 1.4° | 0.0° |
| C2 | C1 | N1 | H18 | 0.0° | 0.0° |
| C1 | C2 | C41 | H43 | 1.2° | 0.3° |
| C3 | C2 | C1 | N1 | 7.5° | 0.0° |
| C2 | C3 | C4 | C33 | 1.5° | 0.0° |
| C2 | C3 | C4 | O2 | 179.9° | 180.0° |
| C2 | C3 | C4 | N2 | 178.0° | 180.0° |
| C2 | C3 | O2 | C5 | 178.4° | 180.0° |
| C3 | C2 | C1 | H19 | 172.5° | 180.0° |
| C3 | C2 | C41 | H43 | 178.5° | 179.9° |
| C33 | C4 | C3 | N2 | 179.5° | 179.9° |
| C33 | C4 | C3 | O2 | 178.5° | 180.0° |
| C33 | C4 | N2 | C5 | 175.5° | 180.0° |
| C4 | C3 | O2 | C5 | 1.5° | 0.0° |
| C3 | C4 | N2 | C5 | 5.1° | 0.1° |
| C3 | C4 | C33 | H31 | 178.7° | 179.9° |
| O2 | C3 | C4 | N2 | 2.1° | 0.0° |
| C3 | O2 | C5 | N2 | 5.2° | 0.0° |
| C3 | O2 | C5 | C6 | 178.2° | 180.0° |
| C4 | N2 | C5 | O2 | 6.5° | 0.0° |
| C4 | N2 | C5 | C6 | 178.6° | 180.0° |
| N2 | C4 | C33 | H31 | 2.0° | 0.0° |
| O2 | C5 | N2 | C6 | 172.1° | 180.0° |
| O2 | C5 | C6 | C31 | 29.2° | 6.0° |
| O2 | C5 | C6 | C7 | 148.6° | 174.2° |
| N2 | C5 | C6 | C31 | 158.8° | 173.9° |
| N2 | C5 | C6 | C7 | 23.4° | 5.8° |
| C5 | C6 | C31 | C7 | 177.8° | 179.7° |
| C5 | C6 | C31 | C30 | 179.6° | 179.7° |
| C5 | C6 | C7 | C32 | 4.9° | 0.0° |
| C5 | C6 | C7 | C8 | 179.2° | 180.0° |
| C5 | C6 | C31 | H27 | 0.4° | 0.0° |
| C6 | C31 | C30 | H27 | 180.0° | 179.8° |
| C31 | C6 | C7 | C32 | 177.5° | 179.8° |
| C31 | C6 | C7 | C8 | 3.1° | 0.3° |
| C6 | C31 | C30 | C29 | 2.2° | 0.5° |
| C6 | C31 | C30 | H26 | 177.8° | 179.7° |
| C7 | C6 | C31 | C30 | 2.6° | 0.5° |
| C6 | C7 | C32 | C8 | 174.2° | 180.0° |
| C6 | C7 | C8 | C29 | 3.3° | 0.0° |
| C6 | C7 | C8 | C9 | 173.2° | 180.0° |
| C7 | C6 | C31 | H27 | 177.4° | 179.7° |
| C6 | C7 | C32 | H28 | 93.1° | 82.3° |
| C6 | C7 | C32 | H29 | 147.0° | 157.7° |
| C6 | C7 | C32 | H30 | 27.0° | 37.7° |
| C31 | C30 | C29 | H26 | 180.0° | 179.8° |
| C31 | C30 | C29 | C8 | 2.5° | 0.3° |
| C31 | C30 | C29 | H25 | 177.5° | 179.7° |
| C32 | C7 | C8 | C29 | 177.8° | 180.0° |
| C32 | C7 | C8 | C9 | 12.3° | 0.1° |
| C7 | C32 | H28 | H29 | 120.0° | 120.0° |
| C7 | C32 | H28 | H30 | 120.0° | 120.0° |
| C7 | C32 | H29 | H30 | 120.0° | 119.9° |
| C7 | C8 | C29 | C30 | 3.1° | 0.0° |
| C7 | C8 | C29 | C9 | 170.6° | 179.9° |
| C7 | C8 | C9 | C27 | 68.2° | 111.6° |
| C7 | C8 | C9 | C10 | 119.2° | 68.4° |
| C7 | C8 | C29 | H25 | 176.9° | 180.0° |
| C8 | C7 | C32 | H28 | 92.7° | 97.8° |
| C8 | C7 | C32 | H29 | 27.3° | 22.3° |
| C8 | C7 | C32 | H30 | 147.3° | 142.2° |
| C30 | C29 | C8 | H25 | 180.0° | 180.0° |
| C30 | C29 | C8 | C9 | 173.7° | 180.0° |
| C29 | C30 | C31 | H27 | 177.8° | 179.7° |
| C29 | C8 | C9 | C27 | 102.1° | 68.3° |
| C29 | C8 | C9 | C10 | 70.5° | 111.7° |
| C8 | C29 | C30 | H26 | 177.5° | 180.0° |
| C8 | C9 | C27 | C10 | 173.1° | 180.0° |
| C8 | C9 | C27 | C26 | 171.8° | 180.0° |
| C8 | C9 | C10 | C28 | 7.5° | 0.0° |
| C8 | C9 | C10 | C11 | 175.3° | 179.7° |
| C8 | C9 | C27 | H14 | 8.2° | 0.0° |
| C9 | C8 | C29 | H25 | 6.3° | 0.0° |
| C9 | C27 | C26 | H14 | 180.0° | 180.0° |
| C9 | C27 | C26 | C25 | 4.4° | 0.0° |
| C27 | C9 | C10 | C28 | 179.6° | 180.0° |
| C27 | C9 | C10 | C11 | 3.2° | 0.3° |
| C9 | C27 | C26 | H13 | 175.5° | 180.0° |
| C26 | C27 | C9 | C10 | 1.3° | 0.0° |
| C27 | C26 | C25 | H13 | 180.0° | 180.0° |
| C27 | C26 | C25 | C11 | 3.1° | 0.3° |
| C27 | C26 | C25 | H12 | 176.8° | 179.9° |
| C9 | C10 | C28 | C11 | 177.2° | 179.7° |
| C9 | C10 | C11 | C25 | 4.5° | 0.5° |
| C9 | C10 | C11 | N3 | 179.7° | 180.0° |
| C10 | C9 | C27 | H14 | 178.8° | 180.0° |
| C9 | C10 | C28 | H15 | 88.5° | 90.3° |
| C9 | C10 | C28 | H16 | 151.5° | 149.7° |
| C9 | C10 | C28 | H17 | 31.4° | 29.7° |
| C26 | C25 | C11 | C10 | 1.5° | 0.5° |
| C26 | C25 | C11 | H12 | 180.0° | 179.7° |
| C26 | C25 | C11 | N3 | 177.0° | 180.0° |
| C25 | C26 | C27 | H14 | 175.6° | 180.0° |
| C28 | C10 | C11 | C25 | 178.2° | 179.7° |
| C28 | C10 | C11 | N3 | 2.5° | 0.2° |
| C10 | C28 | H15 | H16 | 120.0° | 120.1° |
| C10 | C28 | H15 | H17 | 120.0° | 120.0° |
| C10 | C28 | H16 | H17 | 120.0° | 120.0° |
| C10 | C11 | C25 | N3 | 175.5° | 179.5° |
| C10 | C11 | N3 | C12 | 150.9° | 160.8° |
| C10 | C11 | C25 | H12 | 178.6° | 179.8° |
| C11 | C10 | C28 | H15 | 88.6° | 89.5° |
| C11 | C10 | C28 | H16 | 31.4° | 30.6° |
| C11 | C10 | C28 | H17 | 151.4° | 150.6° |
| C10 | C11 | N3 | H20 | 29.1° | 19.1° |
| C25 | C11 | N3 | C12 | 24.7° | 18.7° |
| C11 | C25 | C26 | H13 | 176.9° | 179.7° |
| C25 | C11 | N3 | H20 | 155.3° | 161.4° |
| C11 | N3 | C12 | H20 | 180.0° | 179.9° |
| C11 | N3 | C12 | N4 | 1.1° | 7.1° |
| C11 | N3 | C12 | C16 | 178.2° | 172.9° |
| N3 | C11 | C25 | H12 | 3.1° | 0.3° |
| N3 | C12 | N4 | C16 | 177.0° | 180.0° |
| N3 | C12 | C16 | N5 | 0.6° | 0.1° |
| N3 | C12 | N4 | C13 | 179.3° | 179.9° |
| N3 | C12 | C16 | C15 | 178.8° | 180.0° |
| N4 | C12 | C16 | N5 | 177.9° | 179.9° |
| N4 | C12 | C16 | C15 | 3.9° | 0.0° |
| C12 | N4 | C13 | C14 | 1.2° | 0.1° |
| N4 | C12 | N3 | H20 | 178.9° | 172.8° |
| C12 | N4 | C13 | H21 | 178.7° | 180.0° |
| C12 | C16 | N5 | C15 | 178.1° | 179.9° |
| C12 | C16 | N5 | C17 | 176.4° | 180.0° |
| C16 | C12 | N4 | C13 | 3.7° | 0.1° |
| C12 | C16 | C15 | C14 | 1.7° | 0.0° |
| C12 | C16 | C15 | C24 | 177.0° | 179.8° |
| C16 | C12 | N3 | H20 | 1.8° | 7.2° |
| C16 | N5 | C17 | C18 | 0.6° | 0.1° |
| N5 | C16 | C15 | C14 | 179.8° | 180.0° |
| N5 | C16 | C15 | C24 | 1.1° | 0.3° |
| C16 | N5 | C17 | H1 | 179.4° | 180.0° |
| C17 | N5 | C16 | C15 | 1.7° | 0.1° |
| N5 | C17 | C18 | H1 | 180.0° | 179.9° |
| N5 | C17 | C18 | C24 | 1.0° | 0.1° |
| N5 | C17 | C18 | C19 | 178.6° | 179.8° |
| N4 | C13 | C14 | H21 | 180.0° | 179.8° |
| N4 | C13 | C14 | C15 | 1.0° | 0.1° |
| N4 | C13 | C14 | H22 | 179.1° | 179.8° |
| C16 | C15 | C14 | C13 | 0.6° | 0.0° |
| C16 | C15 | C14 | C24 | 178.7° | 179.7° |
| C16 | C15 | C24 | C18 | 0.7° | 0.3° |
| C16 | C15 | C24 | H11 | 179.3° | 179.7° |
| C16 | C15 | C14 | H22 | 179.4° | 179.7° |
| C17 | C18 | C24 | C15 | 1.7° | 0.1° |
| C17 | C18 | C24 | C19 | 177.7° | 180.0° |
| C17 | C18 | C19 | N6 | 87.6° | 90.0° |
| C17 | C18 | C19 | H2 | 33.4° | 150.0° |
| C17 | C18 | C19 | H3 | 151.3° | 30.0° |
| C17 | C18 | C24 | H11 | 178.3° | 179.9° |
| C13 | C14 | C15 | H22 | 180.0° | 179.7° |
| C13 | C14 | C15 | C24 | 179.3° | 179.7° |
| C14 | C15 | C24 | C18 | 178.1° | 180.0° |
| C14 | C15 | C24 | H11 | 2.0° | 0.0° |
| C15 | C14 | C13 | H21 | 179.1° | 180.0° |
| C15 | C24 | C18 | H11 | 180.0° | 180.0° |
| C15 | C24 | C18 | C19 | 179.4° | 179.9° |
| C24 | C15 | C14 | H22 | 0.7° | 0.0° |
| C24 | C18 | C19 | N6 | 90.0° | 90.0° |
| C24 | C18 | C17 | H1 | 178.9° | 180.0° |
| C24 | C18 | C19 | H2 | 149.0° | 30.0° |
| C24 | C18 | C19 | H3 | 31.1° | 150.0° |
| C18 | C19 | N6 | H2 | 121.1° | 120.0° |
| C18 | C19 | N6 | H3 | 121.0° | 120.0° |
| C18 | C19 | N6 | C20 | 102.5° | 69.8° |
| C18 | C19 | N6 | C23 | 29.4° | 169.3° |
| C19 | C18 | C17 | H1 | 1.4° | 0.0° |
| C18 | C19 | H2 | H3 | 116.7° | 120.0° |
| C19 | C18 | C24 | H11 | 0.6° | 0.1° |
| C19 | N6 | C20 | C23 | 142.1° | 122.3° |
| C19 | N6 | C20 | C21 | 177.2° | 146.4° |
| C19 | N6 | C23 | C22 | 177.1° | 123.3° |
| N6 | C19 | H2 | H3 | 116.7° | 120.0° |
| C19 | N6 | C20 | H4 | 63.7° | 94.8° |
| C19 | N6 | C20 | H5 | 58.1° | 27.6° |
| C19 | N6 | C23 | H9 | 58.5° | 3.9° |
| C19 | N6 | C23 | H10 | 64.3° | 117.3° |
| N6 | C20 | C21 | H4 | 119.1° | 118.8° |
| N6 | C20 | C21 | H5 | 119.1° | 118.8° |
| C20 | N6 | C23 | C22 | 47.3° | 1.0° |
| N6 | C20 | C21 | C22 | 17.1° | 37.0° |
| C20 | N6 | C19 | H2 | 18.6° | 170.2° |
| C20 | N6 | C19 | H3 | 136.5° | 50.2° |
| N6 | C20 | H4 | H5 | 122.6° | 122.3° |
| N6 | C20 | C21 | H6 | 136.2° | 155.2° |
| N6 | C20 | C21 | H7 | 101.9° | 81.1° |
| C20 | N6 | C23 | H9 | 165.9° | 118.4° |
| C20 | N6 | C23 | H10 | 71.3° | 120.4° |
| C21 | C20 | N6 | C23 | 40.7° | 24.0° |
| C20 | C21 | C22 | C23 | 11.4° | 35.6° |
| C20 | C21 | C22 | H6 | 119.0° | 118.1° |
| C20 | C21 | C22 | H7 | 119.1° | 118.1° |
| C20 | C21 | C22 | O1 | 98.6° | 154.1° |
| C21 | C20 | H4 | H5 | 122.5° | 122.3° |
| C20 | C21 | H6 | H7 | 122.7° | 123.8° |
| C20 | C21 | C22 | H8 | 136.8° | 82.9° |
| N6 | C23 | C22 | H9 | 118.6° | 119.4° |
| N6 | C23 | C22 | H10 | 118.6° | 119.6° |
| N6 | C23 | C22 | C21 | 35.6° | 22.3° |
| N6 | C23 | C22 | O1 | 70.7° | 140.7° |
| C23 | N6 | C19 | H2 | 150.5° | 49.3° |
| C23 | N6 | C19 | H3 | 91.6° | 70.7° |
| C23 | N6 | C20 | H4 | 78.4° | 142.9° |
| C23 | N6 | C20 | H5 | 159.8° | 94.7° |
| N6 | C23 | C22 | H8 | 160.9° | 96.1° |
| N6 | C23 | H9 | H10 | 124.1° | 121.2° |
| C23 | C22 | C21 | O1 | 110.0° | 118.4° |
| C23 | C22 | C21 | H8 | 125.4° | 118.5° |
| C23 | C22 | O1 | H8 | 127.3° | 123.3° |
| C23 | C22 | C21 | H6 | 107.7° | 153.8° |
| C23 | C22 | C21 | H7 | 130.4° | 82.5° |
| C22 | C23 | H9 | H10 | 124.0° | 121.0° |
| C23 | C22 | O1 | H24 | 180.0° | 175.1° |
| C21 | C22 | O1 | H8 | 122.9° | 123.1° |
| C22 | C21 | C20 | H4 | 102.0° | 155.9° |
| C22 | C21 | C20 | H5 | 136.2° | 81.7° |
| C22 | C21 | H6 | H7 | 122.7° | 123.9° |
| C21 | C22 | C23 | H9 | 154.3° | 141.7° |
| C21 | C22 | C23 | H10 | 83.0° | 97.3° |
| C21 | C22 | O1 | H24 | 70.2° | 61.4° |
| O1 | C22 | C21 | H6 | 142.3° | 87.8° |
| O1 | C22 | C21 | H7 | 20.4° | 36.0° |
| O1 | C22 | C23 | H9 | 48.0° | 99.9° |
| O1 | C22 | C23 | H10 | 170.7° | 21.1° |
| H4 | C20 | C21 | H6 | 17.1° | 86.0° |
| H4 | C20 | C21 | H7 | 138.9° | 37.7° |
| H5 | C20 | C21 | H6 | 104.7° | 36.4° |
| H5 | C20 | C21 | H7 | 17.2° | 160.1° |
| H6 | C21 | C22 | H8 | 17.8° | 35.2° |
| H7 | C21 | C22 | H8 | 104.1° | 159.0° |
| H8 | C22 | C23 | H9 | 80.5° | 23.2° |
| H8 | C22 | C23 | H10 | 42.3° | 144.3° |
| H8 | C22 | O1 | H24 | 52.7° | 61.7° |
| H12 | C25 | C26 | H13 | 3.2° | 0.1° |
| H13 | C26 | C27 | H14 | 4.4° | 0.0° |
| H15 | C28 | H16 | H17 | 120.0° | 120.0° |
| H18 | N1 | C1 | H19 | 180.0° | 180.0° |
| H21 | C13 | C14 | H22 | 0.9° | 0.4° |
| H25 | C29 | C30 | H26 | 2.5° | 0.0° |
| H26 | C30 | C31 | H27 | 2.2° | 0.0° |
| H28 | C32 | H29 | H30 | 120.0° | 120.1° |
| H35 | C36 | C37 | H37 | 50.6° | 144.5° |
| H36 | C36 | C37 | H37 | 174.5° | 23.4° |
| H37 | C37 | C38 | H38 | 49.9° | 159.2° |
| H37 | C37 | C38 | H39 | 173.3° | 35.4° |
| H38 | C38 | C39 | H40 | 95.7° | 160.1° |
| H38 | C38 | C39 | H41 | 25.7° | 37.8° |
| H39 | C38 | C39 | H40 | 27.7° | 36.3° |
| H39 | C38 | C39 | H41 | 149.1° | 86.0° |
