A1H71
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C16 | sing | 1.53Å | 1.51Å | |
| C15 | C14 | sing | 1.51Å | 1.50Å | |
| C16 | C17 | sing | 1.53Å | 1.51Å | |
| C23 | C21 | sing | 1.53Å | 1.51Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| C14 | N13 | sing | 1.35Å | 1.32Å | |
| C14 | O20 | doub | 1.21Å | 1.21Å | |
| N13 | C12 | sing | 1.46Å | 1.45Å | |
| C17 | C18 | sing | 1.53Å | 1.51Å | |
| C21 | C12 | sing | 1.53Å | 1.52Å | |
| C21 | O22 | sing | 1.43Å | 1.39Å | |
| C12 | C11 | sing | 1.51Å | 1.51Å | |
| C11 | O24 | doub | 1.21Å | 1.21Å | |
| C11 | N10 | sing | 1.35Å | 1.31Å | |
| N10 | C9 | sing | 1.46Å | 1.45Å | |
| C9 | C8 | sing | 1.53Å | 1.48Å | |
| C9 | C25 | sing | 1.51Å | 1.37Å | |
| C8 | C7 | sing | 1.53Å | 1.49Å | |
| O26 | C25 | doub | 1.21Å | 1.22Å | |
| C7 | C6 | sing | 1.53Å | 1.50Å | |
| C25 | N27 | sing | 1.37Å | 1.37Å | |
| C6 | C5 | sing | 1.53Å | 1.50Å | |
| C32 | C33 | doub | 1.38Å | 1.37Å | Aromatic |
| C32 | C31 | sing | 1.38Å | 1.38Å | Aromatic |
| C33 | C34 | sing | 1.38Å | 1.37Å | Aromatic |
| N27 | C28 | sing | 1.49Å | 1.45Å | |
| C5 | N4 | sing | 1.48Å | 1.46Å | |
| C31 | C30 | doub | 1.38Å | 1.38Å | Aromatic |
| N4 | C3 | sing | 1.37Å | 1.39Å | |
| C34 | C35 | doub | 1.38Å | 1.38Å | Aromatic |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C28 | C1 | sing | 1.53Å | 1.48Å | |
| C30 | C35 | sing | 1.38Å | 1.38Å | Aromatic |
| C30 | C29 | sing | 1.51Å | 1.39Å | |
| C2 | C3 | sing | 1.51Å | 1.38Å | |
| C2 | C1 | sing | 1.53Å | 1.49Å | |
| C3 | O37 | doub | 1.21Å | 1.22Å | |
| C1 | OG1 | sing | 1.43Å | 1.40Å | |
| OG1 | CB | sing | 1.43Å | 1.41Å | |
| N | CA | sing | 1.47Å | 1.46Å | |
| CB | CA | sing | 1.53Å | 1.51Å | |
| CB | CG2 | sing | 1.53Å | 1.51Å | |
| CA | C | sing | 1.51Å | 1.49Å | |
| C | O | doub | 1.21Å | 1.22Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C28 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| N13 | H22 | sing | 0.97Å | 1.00Å | |
| C12 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| O22 | H27 | sing | 0.97Å | 0.95Å | |
| N10 | H28 | sing | 0.97Å | 1.00Å | |
| C9 | H29 | sing | 1.09Å | 1.10Å | |
| N27 | H30 | sing | 0.97Å | 1.00Å | |
| N4 | H31 | sing | 0.97Å | 1.00Å | |
| C2 | H32 | sing | 1.09Å | 1.10Å | |
| C2 | H33 | sing | 1.09Å | 1.10Å | |
| C1 | H34 | sing | 1.09Å | 1.10Å | |
| CB | H35 | sing | 1.09Å | 1.10Å | |
| CG2 | H36 | sing | 1.09Å | 1.10Å | |
| CG2 | H37 | sing | 1.09Å | 1.10Å | |
| CG2 | H38 | sing | 1.09Å | 1.10Å | |
| CA | H39 | sing | 1.09Å | 1.10Å | |
| C | H40 | sing | 1.08Å | 1.08Å | |
| N | H41 | sing | 1.01Å | 1.00Å | |
| N | H42 | sing | 1.01Å | 1.00Å | |
| C29 | H44 | sing | 1.09Å | 1.10Å | |
| C29 | H45 | sing | 1.09Å | 1.10Å | |
| C35 | H46 | sing | 1.08Å | 1.08Å | |
| C34 | H47 | sing | 1.08Å | 1.08Å | |
| C33 | H48 | sing | 1.08Å | 1.08Å | |
| C32 | H49 | sing | 1.08Å | 1.08Å | |
| C31 | H50 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C15 | C14 | 108.0° | 109.5° |
| C15 | C16 | C17 | 109.1° | 109.5° |
| C16 | C15 | H9 | 109.8° | 109.5° |
| C16 | C15 | H10 | 109.8° | 109.5° |
| C15 | C16 | H20 | 109.6° | 109.5° |
| C15 | C16 | H21 | 109.6° | 109.4° |
| C15 | C14 | N13 | 116.1° | 120.0° |
| C15 | C14 | O20 | 120.2° | 120.0° |
| C14 | C15 | H9 | 109.9° | 109.5° |
| C14 | C15 | H10 | 109.9° | 109.5° |
| C16 | C17 | C18 | 109.3° | 109.5° |
| C16 | C17 | H11 | 109.5° | 109.4° |
| C16 | C17 | H12 | 109.5° | 109.5° |
| C17 | C16 | H20 | 109.6° | 109.5° |
| C17 | C16 | H21 | 109.6° | 109.4° |
| C23 | C21 | C12 | 111.3° | 109.4° |
| C23 | C21 | O22 | 109.6° | 109.5° |
| C23 | C21 | H13 | 108.2° | 109.4° |
| C21 | C23 | H24 | 109.5° | 109.4° |
| C21 | C23 | H25 | 109.5° | 109.4° |
| C21 | C23 | H26 | 109.5° | 109.5° |
| C19 | C18 | C17 | 109.0° | 109.5° |
| C18 | C19 | H15 | 109.5° | 109.4° |
| C18 | C19 | H16 | 109.4° | 109.5° |
| C18 | C19 | H17 | 109.5° | 109.5° |
| C19 | C18 | H18 | 109.6° | 109.5° |
| C19 | C18 | H19 | 109.6° | 109.4° |
| N13 | C14 | O20 | 123.6° | 120.0° |
| C14 | N13 | C12 | 119.5° | 120.0° |
| C14 | N13 | H22 | 120.3° | 120.0° |
| N13 | C12 | C21 | 112.9° | 109.5° |
| N13 | C12 | C11 | 109.2° | 109.5° |
| C12 | N13 | H22 | 120.2° | 120.1° |
| N13 | C12 | H23 | 107.2° | 109.5° |
| C18 | C17 | H11 | 109.5° | 109.5° |
| C18 | C17 | H12 | 109.5° | 109.5° |
| C17 | C18 | H18 | 109.6° | 109.5° |
| C17 | C18 | H19 | 109.6° | 109.4° |
| C12 | C21 | O22 | 110.1° | 109.5° |
| C21 | C12 | C11 | 114.2° | 109.5° |
| C12 | C21 | H13 | 108.0° | 109.5° |
| C21 | C12 | H23 | 106.4° | 109.5° |
| O22 | C21 | H13 | 109.7° | 109.5° |
| C21 | O22 | H27 | 109.5° | 114.0° |
| C12 | C11 | O24 | 121.3° | 120.0° |
| C12 | C11 | N10 | 114.7° | 120.0° |
| C11 | C12 | H23 | 106.5° | 109.4° |
| O24 | C11 | N10 | 123.8° | 120.0° |
| C11 | N10 | C9 | 120.8° | 120.0° |
| C11 | N10 | H28 | 119.6° | 120.0° |
| N10 | C9 | C8 | 107.4° | 109.5° |
| N10 | C9 | C25 | 111.9° | 109.5° |
| C9 | N10 | H28 | 119.6° | 120.0° |
| N10 | C9 | H29 | 109.9° | 109.5° |
| C8 | C9 | C25 | 106.8° | 109.4° |
| C9 | C8 | C7 | 109.5° | 109.5° |
| C9 | C8 | H7 | 109.4° | 109.4° |
| C9 | C8 | H8 | 109.5° | 109.5° |
| C8 | C9 | H29 | 109.6° | 109.4° |
| C9 | C25 | O26 | 123.3° | 120.9° |
| C9 | C25 | N27 | 117.4° | 118.2° |
| C25 | C9 | H29 | 111.2° | 109.5° |
| C8 | C7 | C6 | 109.8° | 109.5° |
| C8 | C7 | H5 | 109.4° | 109.5° |
| C8 | C7 | H6 | 109.4° | 109.5° |
| C7 | C8 | H7 | 109.5° | 109.5° |
| C7 | C8 | H8 | 109.4° | 109.5° |
| O26 | C25 | N27 | 119.3° | 120.9° |
| C7 | C6 | C5 | 109.2° | 109.5° |
| C7 | C6 | H3 | 109.5° | 109.4° |
| C7 | C6 | H4 | 109.5° | 109.5° |
| C6 | C7 | H5 | 109.4° | 109.5° |
| C6 | C7 | H6 | 109.4° | 109.4° |
| C25 | N27 | C28 | 120.9° | 113.2° |
| C25 | N27 | H30 | 119.5° | 123.4° |
| C6 | C5 | N4 | 109.2° | 108.6° |
| C6 | C5 | H1 | 109.6° | 109.6° |
| C6 | C5 | H2 | 109.5° | 109.8° |
| C5 | C6 | H3 | 109.5° | 109.5° |
| C5 | C6 | H4 | 109.5° | 109.5° |
| C33 | C32 | C31 | 119.8° | 120.0° |
| C32 | C33 | C34 | 119.8° | 120.0° |
| C32 | C33 | H48 | 120.1° | 120.0° |
| C33 | C32 | H49 | 120.1° | 120.0° |
| C32 | C31 | C30 | 120.7° | 120.0° |
| C31 | C32 | H49 | 120.1° | 120.0° |
| C32 | C31 | H50 | 119.6° | 120.0° |
| C33 | C34 | C35 | 120.1° | 120.0° |
| C33 | C34 | H47 | 119.9° | 120.0° |
| C34 | C33 | H48 | 120.1° | 120.0° |
| N27 | C28 | C29 | 108.8° | 109.8° |
| N27 | C28 | C1 | 109.7° | 108.2° |
| N27 | C28 | H14 | 111.5° | 109.8° |
| C28 | N27 | H30 | 119.5° | 123.4° |
| C5 | N4 | C3 | 122.9° | 115.2° |
| N4 | C5 | H1 | 109.5° | 109.7° |
| N4 | C5 | H2 | 109.5° | 109.6° |
| C5 | N4 | H31 | 118.5° | 122.4° |
| C31 | C30 | C35 | 119.0° | 120.0° |
| C31 | C30 | C29 | 121.8° | 120.0° |
| C30 | C31 | H50 | 119.6° | 120.0° |
| N4 | C3 | C2 | 117.6° | 118.7° |
| N4 | C3 | O37 | 120.5° | 120.6° |
| C3 | N4 | H31 | 118.6° | 122.3° |
| C34 | C35 | C30 | 120.6° | 120.0° |
| C34 | C35 | H46 | 119.7° | 120.0° |
| C35 | C34 | H47 | 119.9° | 120.0° |
| C29 | C28 | C1 | 105.2° | 109.7° |
| C28 | C29 | C30 | 114.3° | 109.5° |
| C29 | C28 | H14 | 110.4° | 109.7° |
| C28 | C29 | H44 | 108.2° | 109.4° |
| C28 | C29 | H45 | 108.2° | 109.5° |
| C28 | C1 | C2 | 110.4° | 109.5° |
| C28 | C1 | OG1 | 106.4° | 109.5° |
| C1 | C28 | H14 | 111.1° | 109.7° |
| C28 | C1 | H34 | 110.2° | 109.4° |
| C35 | C30 | C29 | 119.2° | 120.1° |
| C30 | C35 | H46 | 119.7° | 119.9° |
| C30 | C29 | H44 | 108.3° | 109.4° |
| C30 | C29 | H45 | 108.3° | 109.5° |
| C3 | C2 | C1 | 112.8° | 109.5° |
| C2 | C3 | O37 | 121.8° | 120.7° |
| C3 | C2 | H32 | 108.6° | 109.5° |
| C3 | C2 | H33 | 108.6° | 109.5° |
| C2 | C1 | OG1 | 108.4° | 109.5° |
| C1 | C2 | H32 | 108.6° | 109.4° |
| C1 | C2 | H33 | 108.7° | 109.4° |
| C2 | C1 | H34 | 110.0° | 109.5° |
| C1 | OG1 | CB | 106.2° | 114.0° |
| OG1 | C1 | H34 | 111.3° | 109.5° |
| OG1 | CB | CA | 109.2° | 109.5° |
| OG1 | CB | CG2 | 108.7° | 109.4° |
| OG1 | CB | H35 | 111.0° | 109.5° |
| N | CA | CB | 110.4° | 109.5° |
| N | CA | C | 106.1° | 109.4° |
| N | CA | H39 | 110.9° | 109.5° |
| CA | N | H41 | 109.5° | 111.0° |
| CA | N | H42 | 109.5° | 111.0° |
| CA | CB | CG2 | 108.8° | 109.5° |
| CB | CA | C | 108.7° | 109.5° |
| CA | CB | H35 | 109.6° | 109.5° |
| CB | CA | H39 | 110.3° | 109.5° |
| CG2 | CB | H35 | 109.6° | 109.5° |
| CB | CG2 | H36 | 109.5° | 109.5° |
| CB | CG2 | H37 | 109.5° | 109.4° |
| CB | CG2 | H38 | 109.5° | 109.5° |
| CA | C | O | 120.8° | 120.1° |
| C | CA | H39 | 110.4° | 109.5° |
| CA | C | H40 | 119.6° | 119.9° |
| O | C | H40 | 119.6° | 120.0° |
| H1 | C5 | H2 | 109.5° | 109.6° |
| H3 | C6 | H4 | 109.5° | 109.4° |
| H5 | C7 | H6 | 109.5° | 109.5° |
| H7 | C8 | H8 | 109.5° | 109.5° |
| H9 | C15 | H10 | 109.4° | 109.4° |
| H11 | C17 | H12 | 109.5° | 109.4° |
| H15 | C19 | H16 | 109.5° | 109.5° |
| H15 | C19 | H17 | 109.5° | 109.4° |
| H16 | C19 | H17 | 109.5° | 109.6° |
| H18 | C18 | H19 | 109.5° | 109.5° |
| H20 | C16 | H21 | 109.5° | 109.5° |
| H24 | C23 | H25 | 109.5° | 109.4° |
| H24 | C23 | H26 | 109.5° | 109.5° |
| H25 | C23 | H26 | 109.4° | 109.5° |
| H32 | C2 | H33 | 109.5° | 109.4° |
| H36 | CG2 | H37 | 109.5° | 109.5° |
| H36 | CG2 | H38 | 109.5° | 109.5° |
| H37 | CG2 | H38 | 109.5° | 109.5° |
| H41 | N | H42 | 109.5° | 111.0° |
| H44 | C29 | H45 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C15 | C14 | H9 | 119.8° | 120.0° |
| C16 | C15 | C14 | H10 | 119.8° | 120.0° |
| C15 | C16 | C17 | H20 | 120.0° | 120.1° |
| C15 | C16 | C17 | H21 | 119.9° | 119.9° |
| C16 | C15 | C14 | N13 | 159.8° | 180.0° |
| C16 | C15 | C14 | O20 | 18.6° | 0.0° |
| C15 | C16 | C17 | C18 | 179.5° | 180.0° |
| C16 | C15 | H9 | H10 | 120.6° | 120.0° |
| C15 | C16 | C17 | H11 | 60.6° | 60.0° |
| C15 | C16 | C17 | H12 | 59.5° | 59.9° |
| C15 | C16 | H20 | H21 | 120.2° | 119.9° |
| C14 | C15 | C16 | C17 | 95.1° | 180.0° |
| C15 | C14 | N13 | O20 | 178.3° | 179.9° |
| C15 | C14 | N13 | C12 | 179.1° | 180.0° |
| C14 | C15 | H9 | H10 | 120.7° | 120.0° |
| C14 | C15 | C16 | H20 | 144.9° | 60.0° |
| C14 | C15 | C16 | H21 | 24.8° | 60.0° |
| C15 | C14 | N13 | H22 | 0.9° | 0.0° |
| C16 | C17 | C18 | C19 | 75.2° | 180.0° |
| C16 | C17 | C18 | H11 | 120.0° | 119.9° |
| C16 | C17 | C18 | H12 | 120.0° | 120.1° |
| C17 | C16 | C15 | H9 | 145.1° | 60.0° |
| C17 | C16 | C15 | H10 | 24.7° | 59.9° |
| C16 | C17 | H11 | H12 | 120.1° | 120.0° |
| C16 | C17 | C18 | H18 | 164.8° | 59.9° |
| C16 | C17 | C18 | H19 | 44.7° | 60.0° |
| C17 | C16 | H20 | H21 | 120.2° | 120.0° |
| C23 | C21 | C12 | N13 | 4.0° | 173.2° |
| C23 | C21 | C12 | O22 | 121.7° | 120.0° |
| C23 | C21 | C12 | H13 | 118.6° | 119.9° |
| C23 | C21 | O22 | H13 | 118.6° | 120.0° |
| C23 | C21 | C12 | C11 | 129.5° | 66.8° |
| C23 | C21 | C12 | H23 | 113.3° | 53.1° |
| C21 | C23 | H24 | H25 | 120.0° | 119.9° |
| C21 | C23 | H24 | H26 | 120.0° | 120.1° |
| C21 | C23 | H25 | H26 | 120.0° | 120.0° |
| C23 | C21 | O22 | H27 | 180.0° | 180.0° |
| C19 | C18 | C17 | H18 | 120.0° | 120.1° |
| C19 | C18 | C17 | H19 | 119.9° | 120.0° |
| C19 | C18 | C17 | H11 | 164.8° | 60.1° |
| C19 | C18 | C17 | H12 | 44.7° | 59.9° |
| C18 | C19 | H15 | H16 | 120.0° | 120.0° |
| C18 | C19 | H15 | H17 | 120.0° | 119.9° |
| C18 | C19 | H16 | H17 | 120.0° | 120.1° |
| C19 | C18 | H18 | H19 | 120.2° | 120.0° |
| C14 | N13 | C12 | H22 | 180.0° | 180.0° |
| C14 | N13 | C12 | C21 | 171.7° | 85.0° |
| C14 | N13 | C12 | C11 | 60.2° | 155.0° |
| N13 | C14 | C15 | H9 | 80.4° | 59.9° |
| N13 | C14 | C15 | H10 | 40.1° | 60.0° |
| C14 | N13 | C12 | H23 | 54.8° | 35.0° |
| O20 | C14 | N13 | C12 | 2.5° | 0.0° |
| O20 | C14 | C15 | H9 | 101.2° | 120.0° |
| O20 | C14 | C15 | H10 | 138.3° | 120.1° |
| O20 | C14 | N13 | H22 | 177.4° | 179.9° |
| N13 | C12 | C21 | C11 | 125.6° | 120.0° |
| N13 | C12 | C21 | H23 | 117.3° | 120.0° |
| N13 | C12 | C21 | O22 | 117.7° | 53.2° |
| N13 | C12 | C11 | H23 | 115.5° | 120.0° |
| N13 | C12 | C11 | O24 | 3.9° | 1.7° |
| N13 | C12 | C11 | N10 | 179.4° | 178.3° |
| N13 | C12 | C21 | H13 | 122.5° | 66.9° |
| C18 | C17 | H11 | H12 | 120.1° | 120.0° |
| C17 | C18 | C19 | H15 | 180.0° | 60.0° |
| C17 | C18 | C19 | H16 | 60.0° | 180.0° |
| C17 | C18 | C19 | H17 | 60.0° | 59.9° |
| C17 | C18 | H18 | H19 | 120.2° | 119.9° |
| C18 | C17 | C16 | H20 | 59.5° | 59.9° |
| C18 | C17 | C16 | H21 | 60.6° | 60.1° |
| C12 | C21 | O22 | H13 | 118.7° | 120.0° |
| C21 | C12 | C11 | H23 | 117.1° | 120.0° |
| C21 | C12 | C11 | O24 | 131.3° | 118.3° |
| C21 | C12 | C11 | N10 | 53.1° | 61.8° |
| C21 | C12 | N13 | H22 | 8.3° | 95.0° |
| C12 | C21 | C23 | H24 | 180.0° | 53.9° |
| C12 | C21 | C23 | H25 | 60.0° | 173.8° |
| C12 | C21 | C23 | H26 | 60.0° | 66.2° |
| C12 | C21 | O22 | H27 | 57.3° | 60.0° |
| O22 | C21 | C12 | C11 | 7.8° | 173.1° |
| O22 | C21 | C12 | H23 | 125.0° | 66.9° |
| O22 | C21 | C23 | H24 | 58.0° | 66.1° |
| O22 | C21 | C23 | H25 | 178.0° | 53.8° |
| O22 | C21 | C23 | H26 | 62.0° | 173.8° |
| C12 | C11 | O24 | N10 | 175.2° | 180.0° |
| C12 | C11 | N10 | C9 | 175.0° | 177.3° |
| C11 | C12 | C21 | H13 | 111.9° | 53.1° |
| C11 | C12 | N13 | H22 | 119.8° | 25.0° |
| C12 | C11 | N10 | H28 | 5.0° | 2.7° |
| O24 | C11 | N10 | C9 | 0.5° | 2.7° |
| O24 | C11 | C12 | H23 | 111.6° | 121.7° |
| O24 | C11 | N10 | H28 | 179.5° | 177.3° |
| C11 | N10 | C9 | H28 | 180.0° | 179.9° |
| C11 | N10 | C9 | C8 | 92.2° | 155.0° |
| C11 | N10 | C9 | C25 | 151.0° | 85.0° |
| N10 | C11 | C12 | H23 | 64.0° | 58.2° |
| C11 | N10 | C9 | H29 | 26.9° | 35.0° |
| N10 | C9 | C8 | C25 | 120.1° | 120.0° |
| N10 | C9 | C8 | H29 | 119.4° | 120.0° |
| N10 | C9 | C25 | H29 | 123.3° | 120.0° |
| N10 | C9 | C8 | C7 | 119.6° | 161.5° |
| N10 | C9 | C25 | O26 | 19.4° | 54.7° |
| N10 | C9 | C25 | N27 | 162.3° | 125.2° |
| N10 | C9 | C8 | H7 | 0.4° | 78.5° |
| N10 | C9 | C8 | H8 | 120.4° | 41.5° |
| C8 | C9 | C25 | H29 | 119.5° | 119.9° |
| C9 | C8 | C7 | H7 | 120.0° | 120.0° |
| C9 | C8 | C7 | H8 | 120.0° | 120.0° |
| C8 | C9 | C25 | O26 | 97.9° | 65.3° |
| C9 | C8 | C7 | C6 | 166.0° | 139.5° |
| C8 | C9 | C25 | N27 | 80.4° | 114.7° |
| C9 | C8 | C7 | H5 | 45.9° | 100.5° |
| C9 | C8 | C7 | H6 | 74.0° | 19.5° |
| C9 | C8 | H7 | H8 | 120.0° | 120.0° |
| C8 | C9 | N10 | H28 | 87.8° | 25.1° |
| C25 | C9 | C8 | C7 | 120.2° | 78.4° |
| C9 | C25 | O26 | N27 | 178.3° | 180.0° |
| C9 | C25 | N27 | C28 | 177.2° | 179.6° |
| C25 | C9 | C8 | H7 | 119.8° | 41.6° |
| C25 | C9 | C8 | H8 | 0.2° | 161.5° |
| C25 | C9 | N10 | H28 | 29.1° | 94.9° |
| C9 | C25 | N27 | H30 | 2.8° | 0.4° |
| C8 | C7 | C6 | H5 | 120.1° | 120.0° |
| C8 | C7 | C6 | H6 | 120.0° | 120.0° |
| C8 | C7 | C6 | C5 | 83.6° | 150.7° |
| C8 | C7 | C6 | H3 | 156.4° | 30.7° |
| C8 | C7 | C6 | H4 | 36.4° | 89.2° |
| C8 | C7 | H5 | H6 | 119.9° | 120.0° |
| C7 | C8 | H7 | H8 | 120.0° | 120.0° |
| C7 | C8 | C9 | H29 | 0.3° | 41.5° |
| O26 | C25 | N27 | C28 | 4.4° | 0.4° |
| O26 | C25 | C9 | H29 | 142.7° | 174.8° |
| O26 | C25 | N27 | H30 | 175.6° | 179.5° |
| C7 | C6 | C5 | H3 | 120.0° | 120.0° |
| C7 | C6 | C5 | H4 | 120.0° | 120.0° |
| C7 | C6 | C5 | N4 | 50.0° | 91.0° |
| C7 | C6 | C5 | H1 | 70.0° | 28.8° |
| C7 | C6 | C5 | H2 | 169.9° | 149.2° |
| C7 | C6 | H3 | H4 | 120.1° | 120.0° |
| C6 | C7 | H5 | H6 | 119.9° | 119.9° |
| C6 | C7 | C8 | H7 | 74.0° | 19.5° |
| C6 | C7 | C8 | H8 | 46.0° | 100.5° |
| C25 | N27 | C28 | H30 | 180.0° | 179.9° |
| C25 | N27 | C28 | C29 | 117.4° | 114.2° |
| C25 | N27 | C28 | C1 | 128.1° | 126.2° |
| C25 | N27 | C28 | H14 | 4.5° | 6.5° |
| N27 | C25 | C9 | H29 | 39.0° | 5.2° |
| C6 | C5 | N4 | H1 | 120.0° | 119.8° |
| C6 | C5 | N4 | H2 | 120.0° | 119.9° |
| C6 | C5 | N4 | C3 | 152.6° | 68.7° |
| C6 | C5 | H1 | H2 | 120.1° | 120.5° |
| C5 | C6 | H3 | H4 | 120.1° | 120.0° |
| C5 | C6 | C7 | H5 | 36.4° | 89.2° |
| C5 | C6 | C7 | H6 | 156.3° | 30.7° |
| C6 | C5 | N4 | H31 | 27.4° | 111.3° |
| C33 | C32 | C31 | H49 | 180.0° | 179.8° |
| C32 | C33 | C34 | H48 | 180.0° | 180.0° |
| C33 | C32 | C31 | C30 | 0.0° | 0.6° |
| C32 | C33 | C34 | C35 | 0.2° | 0.0° |
| C32 | C33 | C34 | H47 | 179.8° | 180.0° |
| C33 | C32 | C31 | H50 | 179.9° | 179.9° |
| C31 | C32 | C33 | C34 | 0.2° | 0.3° |
| C32 | C31 | C30 | H50 | 180.0° | 179.3° |
| C32 | C31 | C30 | C35 | 0.3° | 0.6° |
| C32 | C31 | C30 | C29 | 179.7° | 179.7° |
| C31 | C32 | C33 | H48 | 179.8° | 179.7° |
| C33 | C34 | C35 | H47 | 180.0° | 179.9° |
| C33 | C34 | C35 | C30 | 0.0° | 0.1° |
| C33 | C34 | C35 | H46 | 180.0° | 180.0° |
| C34 | C33 | C32 | H49 | 179.8° | 179.9° |
| N27 | C28 | C29 | C1 | 117.5° | 118.8° |
| N27 | C28 | C29 | H14 | 122.6° | 120.7° |
| N27 | C28 | C1 | H14 | 123.8° | 119.8° |
| N27 | C28 | C29 | C30 | 93.2° | 66.2° |
| N27 | C28 | C1 | C2 | 47.4° | 80.2° |
| N27 | C28 | C1 | OG1 | 164.8° | 159.8° |
| N27 | C28 | C1 | H34 | 74.4° | 39.8° |
| N27 | C28 | C29 | H44 | 27.5° | 53.7° |
| N27 | C28 | C29 | H45 | 146.1° | 173.7° |
| C5 | N4 | C3 | H31 | 180.0° | 179.9° |
| C5 | N4 | C3 | C2 | 179.6° | 179.8° |
| C5 | N4 | C3 | O37 | 3.2° | 0.1° |
| N4 | C5 | H1 | H2 | 120.1° | 120.3° |
| N4 | C5 | C6 | H3 | 169.9° | 28.9° |
| N4 | C5 | C6 | H4 | 70.0° | 148.9° |
| C31 | C30 | C35 | C34 | 0.3° | 0.4° |
| C31 | C30 | C29 | C28 | 22.5° | 90.3° |
| C31 | C30 | C35 | C29 | 179.4° | 179.7° |
| C31 | C30 | C29 | H44 | 143.2° | 149.7° |
| C31 | C30 | C29 | H45 | 98.2° | 29.7° |
| C31 | C30 | C35 | H46 | 179.7° | 179.7° |
| C30 | C31 | C32 | H49 | 180.0° | 179.6° |
| N4 | C3 | C2 | O37 | 176.4° | 180.0° |
| N4 | C3 | C2 | C1 | 126.5° | 168.5° |
| C3 | N4 | C5 | H1 | 32.6° | 51.0° |
| C3 | N4 | C5 | H2 | 87.4° | 171.3° |
| N4 | C3 | C2 | H32 | 113.0° | 48.5° |
| N4 | C3 | C2 | H33 | 6.0° | 71.5° |
| C34 | C35 | C30 | H46 | 180.0° | 179.9° |
| C34 | C35 | C30 | C29 | 179.7° | 179.9° |
| C35 | C34 | C33 | H48 | 179.8° | 180.0° |
| C29 | C28 | C1 | H14 | 119.4° | 120.5° |
| C28 | C29 | C30 | C35 | 158.1° | 90.0° |
| C28 | C29 | C30 | H44 | 120.7° | 119.9° |
| C28 | C29 | C30 | H45 | 120.7° | 120.1° |
| C29 | C28 | C1 | C2 | 164.2° | 160.1° |
| C29 | C28 | C1 | OG1 | 78.4° | 40.0° |
| C29 | C28 | N27 | H30 | 62.6° | 65.8° |
| C29 | C28 | C1 | H34 | 42.4° | 79.9° |
| C28 | C29 | H44 | H45 | 117.8° | 120.0° |
| C1 | C28 | C29 | C30 | 149.4° | 175.0° |
| C28 | C1 | C2 | C3 | 98.0° | 77.0° |
| C28 | C1 | C2 | OG1 | 116.2° | 120.1° |
| C28 | C1 | C2 | H34 | 121.9° | 119.9° |
| C28 | C1 | OG1 | H34 | 120.1° | 120.0° |
| C28 | C1 | OG1 | CB | 171.3° | 150.0° |
| C1 | C28 | N27 | H30 | 51.9° | 53.9° |
| C28 | C1 | C2 | H32 | 141.5° | 163.0° |
| C28 | C1 | C2 | H33 | 22.5° | 43.1° |
| C1 | C28 | C29 | H44 | 89.9° | 65.1° |
| C1 | C28 | C29 | H45 | 28.6° | 54.9° |
| C35 | C30 | C29 | H44 | 37.4° | 29.9° |
| C35 | C30 | C29 | H45 | 81.2° | 150.0° |
| C30 | C35 | C34 | H47 | 180.0° | 180.0° |
| C35 | C30 | C31 | H50 | 179.7° | 180.0° |
| C30 | C29 | C28 | H14 | 29.4° | 54.5° |
| C30 | C29 | H44 | H45 | 117.8° | 120.0° |
| C29 | C30 | C35 | H46 | 0.3° | 0.1° |
| C29 | C30 | C31 | H50 | 0.3° | 0.4° |
| C3 | C2 | C1 | H32 | 120.5° | 120.0° |
| C3 | C2 | C1 | H33 | 120.5° | 120.1° |
| C3 | C2 | C1 | OG1 | 145.8° | 163.0° |
| C2 | C3 | N4 | H31 | 0.4° | 0.2° |
| C3 | C2 | H32 | H33 | 118.5° | 120.1° |
| C3 | C2 | C1 | H34 | 23.8° | 43.0° |
| C1 | C2 | C3 | O37 | 57.1° | 11.5° |
| C2 | C1 | OG1 | H34 | 121.1° | 120.0° |
| C2 | C1 | OG1 | CB | 70.0° | 90.0° |
| C2 | C1 | C28 | H14 | 76.4° | 39.6° |
| C1 | C2 | H32 | H33 | 118.5° | 119.9° |
| O37 | C3 | N4 | H31 | 176.8° | 179.8° |
| O37 | C3 | C2 | H32 | 63.4° | 131.5° |
| O37 | C3 | C2 | H33 | 177.6° | 108.5° |
| C1 | OG1 | CB | CA | 152.4° | 150.0° |
| C1 | OG1 | CB | CG2 | 89.1° | 90.1° |
| OG1 | C1 | C28 | H14 | 41.0° | 80.5° |
| OG1 | C1 | C2 | H32 | 25.3° | 43.0° |
| OG1 | C1 | C2 | H33 | 93.7° | 76.9° |
| C1 | OG1 | CB | H35 | 31.4° | 30.0° |
| OG1 | CB | CA | N | 87.9° | 65.0° |
| OG1 | CB | CA | CG2 | 118.5° | 120.0° |
| OG1 | CB | CA | H35 | 121.8° | 120.0° |
| OG1 | CB | CG2 | H35 | 121.4° | 120.0° |
| OG1 | CB | CA | C | 156.2° | 55.0° |
| CB | OG1 | C1 | H34 | 51.2° | 30.1° |
| OG1 | CB | CG2 | H36 | 180.0° | 60.0° |
| OG1 | CB | CG2 | H37 | 60.0° | 180.0° |
| OG1 | CB | CG2 | H38 | 60.0° | 60.0° |
| OG1 | CB | CA | H39 | 35.0° | 175.0° |
| N | CA | CB | C | 115.9° | 119.9° |
| N | CA | CB | H39 | 122.9° | 120.0° |
| N | CA | CB | CG2 | 153.6° | 55.0° |
| N | CA | C | H39 | 120.3° | 120.0° |
| N | CA | C | O | 74.9° | 0.1° |
| N | CA | CB | H35 | 33.8° | 175.1° |
| N | CA | C | H40 | 105.1° | 180.0° |
| CA | N | H41 | H42 | 120.0° | 124.0° |
| CA | CB | CG2 | H35 | 119.8° | 120.0° |
| CB | CA | C | H39 | 121.1° | 120.0° |
| CB | CA | C | O | 43.8° | 120.0° |
| CA | CB | CG2 | H36 | 61.1° | 180.0° |
| CA | CB | CG2 | H37 | 58.9° | 60.0° |
| CA | CB | CG2 | H38 | 178.8° | 60.0° |
| CB | CA | C | H40 | 136.2° | 60.0° |
| CB | CA | N | H41 | 180.0° | 176.0° |
| CB | CA | N | H42 | 60.0° | 60.0° |
| CG2 | CB | CA | C | 37.7° | 174.9° |
| CB | CG2 | H36 | H37 | 120.0° | 120.0° |
| CB | CG2 | H36 | H38 | 120.0° | 120.0° |
| CB | CG2 | H37 | H38 | 120.0° | 120.0° |
| CG2 | CB | CA | H39 | 83.5° | 65.0° |
| CA | C | O | H40 | 180.0° | 179.9° |
| C | CA | CB | H35 | 82.1° | 65.0° |
| C | CA | N | H41 | 62.5° | 64.0° |
| C | CA | N | H42 | 57.5° | 60.0° |
| O | C | CA | H39 | 164.9° | 119.9° |
| H1 | C5 | C6 | H3 | 50.0° | 148.7° |
| H1 | C5 | C6 | H4 | 170.0° | 91.3° |
| H1 | C5 | N4 | H31 | 147.4° | 128.9° |
| H2 | C5 | C6 | H3 | 70.1° | 90.9° |
| H2 | C5 | C6 | H4 | 49.9° | 29.1° |
| H2 | C5 | N4 | H31 | 92.6° | 8.6° |
| H3 | C6 | C7 | H5 | 83.5° | 150.8° |
| H3 | C6 | C7 | H6 | 36.4° | 89.3° |
| H4 | C6 | C7 | H5 | 156.4° | 30.8° |
| H4 | C6 | C7 | H6 | 83.7° | 150.8° |
| H5 | C7 | C8 | H7 | 165.9° | 139.6° |
| H5 | C7 | C8 | H8 | 74.1° | 19.6° |
| H6 | C7 | C8 | H7 | 46.0° | 100.4° |
| H6 | C7 | C8 | H8 | 166.0° | 139.6° |
| H7 | C8 | C9 | H29 | 119.7° | 161.5° |
| H8 | C8 | C9 | H29 | 120.2° | 78.5° |
| H9 | C15 | C16 | H20 | 25.1° | 60.1° |
| H9 | C15 | C16 | H21 | 95.0° | 180.0° |
| H10 | C15 | C16 | H20 | 95.3° | 180.0° |
| H10 | C15 | C16 | H21 | 144.6° | 60.0° |
| H11 | C17 | C18 | H18 | 44.8° | 60.0° |
| H11 | C17 | C18 | H19 | 75.3° | 180.0° |
| H11 | C17 | C16 | H20 | 179.5° | 60.0° |
| H11 | C17 | C16 | H21 | 59.4° | 180.0° |
| H12 | C17 | C18 | H18 | 75.2° | 180.0° |
| H12 | C17 | C18 | H19 | 164.6° | 60.0° |
| H12 | C17 | C16 | H20 | 60.5° | 180.0° |
| H12 | C17 | C16 | H21 | 179.4° | 60.0° |
| H13 | C21 | C12 | H23 | 5.2° | 173.1° |
| H13 | C21 | C23 | H24 | 61.5° | 173.8° |
| H13 | C21 | C23 | H25 | 58.5° | 66.2° |
| H13 | C21 | C23 | H26 | 178.4° | 53.8° |
| H13 | C21 | O22 | H27 | 61.4° | 60.0° |
| H14 | C28 | N27 | H30 | 175.5° | 173.6° |
| H14 | C28 | C1 | H34 | 161.8° | 159.5° |
| H14 | C28 | C29 | H44 | 150.1° | 174.4° |
| H14 | C28 | C29 | H45 | 91.3° | 65.6° |
| H15 | C19 | H16 | H17 | 120.0° | 120.0° |
| H15 | C19 | C18 | H18 | 60.1° | 60.0° |
| H15 | C19 | C18 | H19 | 60.1° | 180.0° |
| H16 | C19 | C18 | H18 | 59.9° | 59.9° |
| H16 | C19 | C18 | H19 | 179.9° | 60.1° |
| H17 | C19 | C18 | H18 | 179.9° | 180.0° |
| H17 | C19 | C18 | H19 | 59.9° | 60.0° |
| H22 | N13 | C12 | H23 | 125.2° | 145.0° |
| H24 | C23 | H25 | H26 | 120.0° | 120.0° |
| H28 | N10 | C9 | H29 | 153.1° | 145.0° |
| H32 | C2 | C1 | H34 | 96.6° | 77.0° |
| H33 | C2 | C1 | H34 | 144.3° | 163.0° |
| H35 | CB | CG2 | H36 | 58.6° | 60.0° |
| H35 | CB | CG2 | H37 | 178.6° | 60.0° |
| H35 | CB | CG2 | H38 | 61.4° | 179.9° |
| H35 | CB | CA | H39 | 156.8° | 55.0° |
| H36 | CG2 | H37 | H38 | 120.0° | 120.0° |
| H39 | CA | C | H40 | 15.2° | 60.0° |
| H39 | CA | N | H41 | 57.4° | 56.0° |
| H39 | CA | N | H42 | 177.5° | 180.0° |
| H46 | C35 | C34 | H47 | 0.0° | 0.1° |
| H47 | C34 | C33 | H48 | 0.2° | 0.0° |
| H48 | C33 | C32 | H49 | 0.3° | 0.1° |
| H49 | C32 | C31 | H50 | 0.0° | 0.3° |
