83M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O39 | C36 | doub | 1.21Å | 1.20Å | |
| N40 | C36 | sing | 1.35Å | 1.41Å | |
| O30 | C29 | doub | 1.21Å | 1.19Å | |
| C36 | C35 | sing | 1.51Å | 1.49Å | |
| C29 | N32 | sing | 1.35Å | 1.32Å | |
| C29 | C34 | sing | 1.51Å | 1.51Å | |
| N32 | C35 | sing | 1.46Å | 1.45Å | |
| C32 | C33 | sing | 1.53Å | 1.51Å | |
| C32 | N30 | sing | 1.46Å | 1.45Å | |
| C18 | C23 | sing | 1.51Å | 1.49Å | |
| C18 | C17 | sing | 1.53Å | 1.51Å | |
| C33 | C34 | sing | 1.54Å | 1.53Å | |
| N30 | C22 | doub | 1.28Å | 1.25Å | |
| C28 | C23 | doub | 1.38Å | 1.37Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.36Å | Aromatic |
| C34 | N31 | sing | 1.47Å | 1.45Å | |
| C23 | C24 | sing | 1.38Å | 1.35Å | Aromatic |
| C22 | N31 | sing | 1.37Å | 1.31Å | |
| C22 | C17 | sing | 1.51Å | 1.47Å | |
| C27 | C26 | doub | 1.39Å | 1.35Å | Aromatic |
| C17 | N24 | sing | 1.47Å | 1.43Å | |
| C24 | C25 | doub | 1.38Å | 1.35Å | Aromatic |
| N24 | C21 | sing | 1.35Å | 1.30Å | |
| C26 | C25 | sing | 1.39Å | 1.35Å | Aromatic |
| C26 | O29 | sing | 1.36Å | 1.32Å | |
| C21 | O22 | doub | 1.21Å | 1.17Å | |
| C21 | C20 | sing | 1.51Å | 1.48Å | |
| O17 | C16 | doub | 1.21Å | 1.22Å | |
| C20 | C19 | sing | 1.53Å | 1.50Å | |
| O18 | C16 | sing | 1.34Å | 1.20Å | |
| C16 | C15 | sing | 1.51Å | 1.49Å | |
| C19 | C15 | sing | 1.53Å | 1.51Å | |
| C15 | N23 | sing | 1.47Å | 1.41Å | |
| N23 | C14 | sing | 1.35Å | 1.27Å | |
| C14 | O15 | doub | 1.21Å | 1.15Å | |
| C14 | C1 | sing | 1.51Å | 1.46Å | |
| C1 | C2 | sing | 1.53Å | 1.49Å | |
| C2 | C3 | sing | 1.53Å | 1.50Å | |
| C3 | C4 | sing | 1.53Å | 1.49Å | |
| C4 | C5 | sing | 1.53Å | 1.49Å | |
| C5 | C6 | sing | 1.53Å | 1.49Å | |
| C6 | C7 | sing | 1.53Å | 1.49Å | |
| C8 | C7 | sing | 1.53Å | 1.50Å | |
| C8 | C9 | sing | 1.53Å | 1.49Å | |
| C10 | C9 | sing | 1.53Å | 1.48Å | |
| C10 | C11 | sing | 1.53Å | 1.48Å | |
| C12 | C11 | sing | 1.53Å | 1.48Å | |
| C12 | C13 | sing | 1.53Å | 1.47Å | |
| C8 | H1 | sing | 1.09Å | 1.10Å | |
| C8 | H2 | sing | 1.09Å | 1.10Å | |
| C9 | H3 | sing | 1.09Å | 1.10Å | |
| C9 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| N23 | H9 | sing | 0.97Å | 1.00Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H14 | sing | 1.09Å | 1.10Å | |
| C3 | H15 | sing | 1.09Å | 1.10Å | |
| C4 | H16 | sing | 1.09Å | 1.10Å | |
| C4 | H17 | sing | 1.09Å | 1.10Å | |
| C7 | H18 | sing | 1.09Å | 1.10Å | |
| C7 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C12 | H23 | sing | 1.09Å | 1.10Å | |
| C12 | H24 | sing | 1.09Å | 1.10Å | |
| C11 | H25 | sing | 1.09Å | 1.10Å | |
| C11 | H26 | sing | 1.09Å | 1.10Å | |
| C10 | H27 | sing | 1.09Å | 1.10Å | |
| C10 | H28 | sing | 1.09Å | 1.10Å | |
| C15 | H29 | sing | 1.09Å | 1.10Å | |
| C17 | H30 | sing | 1.09Å | 1.10Å | |
| C18 | H31 | sing | 1.09Å | 1.10Å | |
| C18 | H32 | sing | 1.09Å | 1.10Å | |
| C19 | H33 | sing | 1.09Å | 1.10Å | |
| C19 | H34 | sing | 1.09Å | 1.10Å | |
| C20 | H35 | sing | 1.09Å | 1.10Å | |
| C20 | H36 | sing | 1.09Å | 1.10Å | |
| C24 | H37 | sing | 1.08Å | 1.08Å | |
| C25 | H38 | sing | 1.08Å | 1.08Å | |
| C27 | H39 | sing | 1.08Å | 1.08Å | |
| C28 | H40 | sing | 1.08Å | 1.08Å | |
| C32 | H41 | sing | 1.09Å | 1.10Å | |
| C32 | H42 | sing | 1.09Å | 1.10Å | |
| C33 | H43 | sing | 1.09Å | 1.10Å | |
| C33 | H44 | sing | 1.09Å | 1.10Å | |
| C34 | H45 | sing | 1.09Å | 1.10Å | |
| C35 | H46 | sing | 1.09Å | 1.10Å | |
| C35 | H47 | sing | 1.09Å | 1.10Å | |
| N24 | H48 | sing | 0.97Å | 1.00Å | |
| N31 | H49 | sing | 0.97Å | 1.00Å | |
| N32 | H50 | sing | 0.97Å | 1.00Å | |
| N40 | H51 | sing | 0.97Å | 1.00Å | |
| N40 | H52 | sing | 0.97Å | 1.00Å | |
| O18 | H53 | sing | 0.97Å | 0.95Å | |
| O29 | H54 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O39 | C36 | N40 | 120.4° | 120.0° |
| O39 | C36 | C35 | 119.1° | 120.0° |
| N40 | C36 | C35 | 120.5° | 120.0° |
| C36 | N40 | H51 | 120.0° | 120.0° |
| C36 | N40 | H52 | 120.0° | 120.0° |
| O30 | C29 | N32 | 119.1° | 120.0° |
| O30 | C29 | C34 | 121.0° | 120.1° |
| C36 | C35 | N32 | 113.0° | 109.5° |
| C36 | C35 | H46 | 108.6° | 109.5° |
| C36 | C35 | H47 | 108.6° | 109.4° |
| N32 | C29 | C34 | 119.8° | 120.0° |
| C29 | N32 | C35 | 122.1° | 120.0° |
| C29 | N32 | H50 | 119.0° | 120.0° |
| C29 | C34 | C33 | 110.5° | 109.9° |
| C29 | C34 | N31 | 116.8° | 109.7° |
| C29 | C34 | H45 | 104.8° | 109.9° |
| N32 | C35 | H46 | 108.6° | 109.5° |
| N32 | C35 | H47 | 108.6° | 109.5° |
| C35 | N32 | H50 | 119.0° | 120.0° |
| C33 | C32 | N30 | 107.7° | 110.6° |
| C32 | C33 | C34 | 109.7° | 108.2° |
| C33 | C32 | H41 | 109.9° | 109.3° |
| C33 | C32 | H42 | 109.9° | 109.3° |
| C32 | C33 | H43 | 109.4° | 109.7° |
| C32 | C33 | H44 | 109.4° | 109.7° |
| C32 | N30 | C22 | 127.7° | 123.9° |
| N30 | C32 | H41 | 109.9° | 109.1° |
| N30 | C32 | H42 | 109.9° | 109.3° |
| C23 | C18 | C17 | 110.5° | 109.5° |
| C18 | C23 | C28 | 121.7° | 120.0° |
| C18 | C23 | C24 | 118.7° | 119.9° |
| C23 | C18 | H31 | 109.2° | 109.5° |
| C23 | C18 | H32 | 109.2° | 109.5° |
| C18 | C17 | C22 | 111.0° | 109.5° |
| C18 | C17 | N24 | 113.9° | 109.5° |
| C18 | C17 | H30 | 107.7° | 109.5° |
| C17 | C18 | H31 | 109.2° | 109.5° |
| C17 | C18 | H32 | 109.2° | 109.5° |
| C33 | C34 | N31 | 113.5° | 107.1° |
| C34 | C33 | H43 | 109.4° | 109.6° |
| C34 | C33 | H44 | 109.4° | 109.9° |
| C33 | C34 | H45 | 104.6° | 109.9° |
| N30 | C22 | N31 | 118.9° | 122.6° |
| N30 | C22 | C17 | 119.6° | 118.8° |
| C23 | C28 | C27 | 119.5° | 120.1° |
| C28 | C23 | C24 | 119.7° | 120.1° |
| C23 | C28 | H40 | 120.3° | 120.0° |
| C28 | C27 | C26 | 119.8° | 120.0° |
| C28 | C27 | H39 | 120.1° | 120.0° |
| C27 | C28 | H40 | 120.2° | 120.0° |
| C34 | N31 | C22 | 123.2° | 118.7° |
| N31 | C34 | H45 | 105.4° | 110.2° |
| C34 | N31 | H49 | 118.4° | 120.6° |
| C23 | C24 | C25 | 120.3° | 120.0° |
| C23 | C24 | H37 | 119.9° | 120.0° |
| N31 | C22 | C17 | 121.5° | 118.7° |
| C22 | N31 | H49 | 118.4° | 120.6° |
| C22 | C17 | N24 | 107.4° | 109.5° |
| C22 | C17 | H30 | 108.1° | 109.4° |
| C27 | C26 | C25 | 120.2° | 119.8° |
| C27 | C26 | O29 | 120.2° | 120.1° |
| C26 | C27 | H39 | 120.1° | 120.0° |
| C17 | N24 | C21 | 121.1° | 120.0° |
| N24 | C17 | H30 | 108.7° | 109.5° |
| C17 | N24 | H48 | 119.5° | 120.0° |
| C24 | C25 | C26 | 120.5° | 120.0° |
| C25 | C24 | H37 | 119.9° | 120.0° |
| C24 | C25 | H38 | 119.8° | 120.0° |
| N24 | C21 | O22 | 122.9° | 120.0° |
| N24 | C21 | C20 | 117.8° | 120.0° |
| C21 | N24 | H48 | 119.4° | 120.0° |
| C25 | C26 | O29 | 119.5° | 120.1° |
| C26 | C25 | H38 | 119.7° | 120.0° |
| C26 | O29 | H54 | 109.5° | 113.9° |
| O22 | C21 | C20 | 119.3° | 120.0° |
| C21 | C20 | C19 | 116.1° | 109.5° |
| C21 | C20 | H35 | 107.8° | 109.5° |
| C21 | C20 | H36 | 107.8° | 109.5° |
| O17 | C16 | O18 | 119.6° | 120.0° |
| O17 | C16 | C15 | 120.8° | 120.0° |
| C20 | C19 | C15 | 111.8° | 109.5° |
| C20 | C19 | H33 | 108.9° | 109.5° |
| C20 | C19 | H34 | 108.9° | 109.5° |
| C19 | C20 | H35 | 107.8° | 109.5° |
| C19 | C20 | H36 | 107.8° | 109.5° |
| O18 | C16 | C15 | 119.6° | 120.0° |
| C16 | O18 | H53 | 109.5° | 117.0° |
| C16 | C15 | C19 | 114.1° | 109.5° |
| C16 | C15 | N23 | 109.7° | 109.5° |
| C16 | C15 | H29 | 108.5° | 109.5° |
| C19 | C15 | N23 | 106.7° | 109.4° |
| C19 | C15 | H29 | 108.3° | 109.5° |
| C15 | C19 | H33 | 108.9° | 109.5° |
| C15 | C19 | H34 | 108.9° | 109.5° |
| C15 | N23 | C14 | 124.4° | 119.9° |
| C15 | N23 | H9 | 117.8° | 120.0° |
| N23 | C15 | H29 | 109.6° | 109.5° |
| N23 | C14 | O15 | 122.2° | 120.0° |
| N23 | C14 | C1 | 116.2° | 119.9° |
| C14 | N23 | H9 | 117.8° | 120.0° |
| O15 | C14 | C1 | 121.6° | 120.0° |
| C14 | C1 | C2 | 112.9° | 109.4° |
| C14 | C1 | H10 | 108.6° | 109.4° |
| C14 | C1 | H11 | 108.6° | 109.5° |
| C1 | C2 | C3 | 111.0° | 109.4° |
| C2 | C1 | H10 | 108.6° | 109.5° |
| C2 | C1 | H11 | 108.6° | 109.5° |
| C1 | C2 | H12 | 109.1° | 109.5° |
| C1 | C2 | H13 | 109.1° | 109.5° |
| C2 | C3 | C4 | 109.4° | 109.5° |
| C3 | C2 | H12 | 109.1° | 109.5° |
| C3 | C2 | H13 | 109.1° | 109.4° |
| C2 | C3 | H14 | 109.5° | 109.5° |
| C2 | C3 | H15 | 109.5° | 109.5° |
| C3 | C4 | C5 | 114.8° | 109.5° |
| C4 | C3 | H14 | 109.5° | 109.4° |
| C4 | C3 | H15 | 109.5° | 109.4° |
| C3 | C4 | H16 | 108.1° | 109.4° |
| C3 | C4 | H17 | 108.1° | 109.4° |
| C4 | C5 | C6 | 107.9° | 109.4° |
| C4 | C5 | H7 | 109.9° | 109.5° |
| C4 | C5 | H8 | 109.9° | 109.4° |
| C5 | C4 | H16 | 108.1° | 109.5° |
| C5 | C4 | H17 | 108.1° | 109.5° |
| C5 | C6 | C7 | 108.9° | 109.5° |
| C5 | C6 | H5 | 109.6° | 109.5° |
| C5 | C6 | H6 | 109.6° | 109.5° |
| C6 | C5 | H7 | 109.8° | 109.5° |
| C6 | C5 | H8 | 109.8° | 109.5° |
| C6 | C7 | C8 | 105.1° | 109.5° |
| C7 | C6 | H5 | 109.6° | 109.5° |
| C7 | C6 | H6 | 109.6° | 109.5° |
| C6 | C7 | H18 | 110.5° | 109.5° |
| C6 | C7 | H19 | 110.5° | 109.5° |
| C7 | C8 | C9 | 110.7° | 109.5° |
| C7 | C8 | H1 | 109.1° | 109.4° |
| C7 | C8 | H2 | 109.1° | 109.4° |
| C8 | C7 | H18 | 110.6° | 109.4° |
| C8 | C7 | H19 | 110.5° | 109.4° |
| C8 | C9 | C10 | 108.7° | 109.4° |
| C9 | C8 | H1 | 109.2° | 109.5° |
| C9 | C8 | H2 | 109.2° | 109.5° |
| C8 | C9 | H3 | 109.6° | 109.5° |
| C8 | C9 | H4 | 109.7° | 109.5° |
| C9 | C10 | C11 | 109.5° | 109.4° |
| C10 | C9 | H3 | 109.7° | 109.5° |
| C10 | C9 | H4 | 109.6° | 109.5° |
| C9 | C10 | H27 | 109.5° | 109.5° |
| C9 | C10 | H28 | 109.5° | 109.5° |
| C10 | C11 | C12 | 106.6° | 109.5° |
| C10 | C11 | H25 | 110.2° | 109.5° |
| C10 | C11 | H26 | 110.2° | 109.5° |
| C11 | C10 | H27 | 109.5° | 109.4° |
| C11 | C10 | H28 | 109.4° | 109.4° |
| C11 | C12 | C13 | 109.7° | 109.5° |
| C11 | C12 | H23 | 109.4° | 109.5° |
| C11 | C12 | H24 | 109.4° | 109.5° |
| C12 | C11 | H25 | 110.2° | 109.4° |
| C12 | C11 | H26 | 110.2° | 109.5° |
| C12 | C13 | H20 | 109.5° | 109.4° |
| C12 | C13 | H21 | 109.5° | 109.5° |
| C12 | C13 | H22 | 109.5° | 109.4° |
| C13 | C12 | H23 | 109.4° | 109.4° |
| C13 | C12 | H24 | 109.4° | 109.5° |
| H1 | C8 | H2 | 109.5° | 109.5° |
| H3 | C9 | H4 | 109.5° | 109.4° |
| H5 | C6 | H6 | 109.4° | 109.4° |
| H7 | C5 | H8 | 109.5° | 109.5° |
| H10 | C1 | H11 | 109.5° | 109.5° |
| H12 | C2 | H13 | 109.5° | 109.5° |
| H14 | C3 | H15 | 109.5° | 109.5° |
| H16 | C4 | H17 | 109.5° | 109.5° |
| H18 | C7 | H19 | 109.5° | 109.5° |
| H20 | C13 | H21 | 109.4° | 109.5° |
| H20 | C13 | H22 | 109.5° | 109.5° |
| H21 | C13 | H22 | 109.4° | 109.5° |
| H23 | C12 | H24 | 109.5° | 109.4° |
| H25 | C11 | H26 | 109.5° | 109.4° |
| H27 | C10 | H28 | 109.5° | 109.6° |
| H31 | C18 | H32 | 109.5° | 109.4° |
| H33 | C19 | H34 | 109.5° | 109.5° |
| H35 | C20 | H36 | 109.5° | 109.4° |
| H41 | C32 | H42 | 109.5° | 109.2° |
| H43 | C33 | H44 | 109.5° | 109.7° |
| H46 | C35 | H47 | 109.5° | 109.5° |
| H51 | N40 | H52 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O39 | C36 | N40 | C35 | 178.6° | 180.0° |
| O39 | C36 | C35 | N32 | 5.5° | 0.0° |
| O39 | C36 | C35 | H46 | 115.0° | 120.0° |
| O39 | C36 | C35 | H47 | 126.0° | 120.0° |
| O39 | C36 | N40 | H51 | 0.0° | 180.0° |
| O39 | C36 | N40 | H52 | 180.0° | 0.0° |
| N40 | C36 | C35 | N32 | 175.9° | 180.0° |
| N40 | C36 | C35 | H46 | 63.6° | 60.0° |
| N40 | C36 | C35 | H47 | 55.4° | 60.0° |
| C36 | N40 | H51 | H52 | 180.0° | 180.0° |
| O30 | C29 | N32 | C34 | 178.0° | 180.0° |
| O30 | C29 | N32 | C35 | 66.0° | 0.0° |
| O30 | C29 | C34 | C33 | 10.9° | 99.9° |
| O30 | C29 | C34 | N31 | 120.8° | 17.6° |
| O30 | C29 | C34 | H45 | 123.1° | 139.0° |
| O30 | C29 | N32 | H50 | 114.0° | 179.9° |
| C36 | C35 | N32 | C29 | 112.2° | 180.0° |
| C36 | C35 | N32 | H46 | 120.5° | 120.0° |
| C36 | C35 | N32 | H47 | 120.5° | 120.0° |
| C36 | C35 | H46 | H47 | 118.4° | 119.9° |
| C36 | C35 | N32 | H50 | 67.8° | 0.1° |
| C35 | C36 | N40 | H51 | 178.6° | 0.0° |
| C35 | C36 | N40 | H52 | 1.4° | 180.0° |
| C29 | N32 | C35 | H50 | 180.0° | 179.9° |
| N32 | C29 | C34 | C33 | 167.0° | 80.0° |
| N32 | C29 | C34 | N31 | 61.2° | 162.5° |
| N32 | C29 | C34 | H45 | 54.9° | 41.1° |
| C29 | N32 | C35 | H46 | 8.3° | 60.0° |
| C29 | N32 | C35 | H47 | 127.3° | 60.0° |
| C34 | C29 | N32 | C35 | 112.0° | 180.0° |
| C29 | C34 | C33 | C32 | 92.6° | 178.5° |
| C29 | C34 | C33 | N31 | 133.4° | 119.1° |
| C29 | C34 | C33 | H45 | 112.3° | 121.1° |
| C29 | C34 | N31 | H45 | 115.8° | 121.2° |
| C29 | C34 | N31 | C22 | 113.1° | 161.7° |
| C29 | C34 | C33 | H43 | 147.4° | 61.9° |
| C29 | C34 | C33 | H44 | 27.5° | 58.8° |
| C29 | C34 | N31 | H49 | 67.0° | 18.2° |
| C34 | C29 | N32 | H50 | 68.0° | 0.0° |
| N32 | C35 | H46 | H47 | 118.4° | 120.1° |
| C33 | C32 | N30 | H41 | 119.7° | 120.3° |
| C33 | C32 | N30 | H42 | 119.7° | 120.4° |
| C32 | C33 | C34 | H43 | 120.0° | 119.6° |
| C32 | C33 | C34 | H44 | 120.0° | 119.7° |
| C33 | C32 | N30 | C22 | 37.4° | 20.4° |
| C32 | C33 | C34 | N31 | 40.9° | 59.4° |
| C33 | C32 | H41 | H42 | 120.8° | 119.5° |
| C32 | C33 | H43 | H44 | 119.9° | 120.5° |
| C32 | C33 | C34 | H45 | 155.2° | 60.4° |
| N30 | C32 | C33 | C34 | 47.5° | 49.2° |
| C32 | N30 | C22 | N31 | 12.6° | 0.6° |
| C32 | N30 | C22 | C17 | 168.9° | 179.7° |
| N30 | C32 | H41 | H42 | 120.8° | 119.4° |
| N30 | C32 | C33 | H43 | 72.5° | 168.8° |
| N30 | C32 | C33 | H44 | 167.6° | 70.7° |
| C23 | C18 | C17 | H31 | 120.2° | 120.0° |
| C23 | C18 | C17 | H32 | 120.2° | 120.0° |
| C18 | C23 | C28 | C24 | 179.0° | 179.7° |
| C18 | C23 | C28 | C27 | 178.7° | 179.7° |
| C23 | C18 | C17 | C22 | 155.8° | 175.0° |
| C23 | C18 | C17 | N24 | 83.0° | 65.0° |
| C18 | C23 | C24 | C25 | 179.1° | 180.0° |
| C23 | C18 | C17 | H30 | 37.6° | 55.0° |
| C23 | C18 | H31 | H32 | 119.5° | 120.0° |
| C18 | C23 | C24 | H37 | 0.9° | 0.0° |
| C18 | C23 | C28 | H40 | 1.3° | 0.0° |
| C18 | C17 | C22 | N30 | 89.0° | 124.9° |
| C17 | C18 | C23 | C28 | 134.0° | 90.3° |
| C17 | C18 | C23 | C24 | 45.0° | 90.0° |
| C18 | C17 | C22 | N31 | 92.6° | 55.3° |
| C18 | C17 | C22 | N24 | 125.0° | 120.0° |
| C18 | C17 | C22 | H30 | 117.9° | 120.0° |
| C18 | C17 | N24 | H30 | 120.0° | 120.1° |
| C18 | C17 | N24 | C21 | 167.3° | 153.4° |
| C17 | C18 | H31 | H32 | 119.5° | 120.0° |
| C18 | C17 | N24 | H48 | 12.7° | 26.6° |
| C33 | C34 | N31 | H45 | 113.9° | 119.5° |
| C33 | C34 | N31 | C22 | 17.3° | 42.5° |
| C34 | C33 | C32 | H41 | 72.2° | 169.4° |
| C34 | C33 | C32 | H42 | 167.3° | 71.2° |
| C34 | C33 | H43 | H44 | 119.9° | 120.8° |
| C33 | C34 | N31 | H49 | 162.7° | 137.5° |
| N30 | C22 | N31 | C34 | 1.1° | 12.9° |
| N30 | C22 | N31 | C17 | 178.4° | 179.7° |
| N30 | C22 | C17 | N24 | 36.1° | 115.1° |
| N30 | C22 | C17 | H30 | 153.2° | 4.9° |
| C22 | N30 | C32 | H41 | 82.3° | 140.6° |
| C22 | N30 | C32 | H42 | 157.1° | 100.0° |
| N30 | C22 | N31 | H49 | 178.9° | 167.0° |
| C23 | C28 | C27 | H40 | 180.0° | 179.7° |
| C23 | C28 | C27 | C26 | 0.1° | 0.6° |
| C28 | C23 | C24 | C25 | 0.1° | 0.3° |
| C28 | C23 | C18 | H31 | 13.8° | 149.7° |
| C28 | C23 | C18 | H32 | 105.9° | 29.7° |
| C28 | C23 | C24 | H37 | 179.9° | 179.7° |
| C23 | C28 | C27 | H39 | 179.9° | 179.7° |
| C27 | C28 | C23 | C24 | 0.3° | 0.6° |
| C28 | C27 | C26 | H39 | 180.0° | 179.7° |
| C28 | C27 | C26 | C25 | 0.4° | 0.3° |
| C28 | C27 | C26 | O29 | 178.9° | 179.7° |
| C34 | N31 | C22 | H49 | 180.0° | 179.9° |
| C34 | N31 | C22 | C17 | 179.5° | 167.4° |
| N31 | C34 | C33 | H43 | 79.1° | 178.9° |
| N31 | C34 | C33 | H44 | 160.9° | 60.4° |
| C23 | C24 | C25 | H37 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.6° | 0.0° |
| C24 | C23 | C18 | H31 | 165.2° | 30.0° |
| C24 | C23 | C18 | H32 | 75.1° | 150.0° |
| C23 | C24 | C25 | H38 | 179.4° | 180.0° |
| C24 | C23 | C28 | H40 | 179.8° | 179.7° |
| N31 | C22 | C17 | N24 | 142.4° | 64.7° |
| N31 | C22 | C17 | H30 | 25.3° | 175.4° |
| C22 | N31 | C34 | H45 | 131.2° | 77.1° |
| C22 | C17 | N24 | H30 | 116.7° | 119.9° |
| C22 | C17 | N24 | C21 | 69.4° | 86.6° |
| C22 | C17 | C18 | H31 | 84.1° | 55.0° |
| C22 | C17 | C18 | H32 | 35.6° | 65.0° |
| C22 | C17 | N24 | H48 | 110.6° | 93.4° |
| C17 | C22 | N31 | H49 | 0.5° | 12.7° |
| C27 | C26 | C25 | C24 | 0.8° | 0.0° |
| C27 | C26 | C25 | O29 | 178.6° | 180.0° |
| C27 | C26 | C25 | H38 | 179.2° | 180.0° |
| C26 | C27 | C28 | H40 | 179.9° | 179.7° |
| C27 | C26 | O29 | H54 | 180.0° | 90.0° |
| C17 | N24 | C21 | H48 | 180.0° | 180.0° |
| C17 | N24 | C21 | O22 | 14.0° | 0.0° |
| C17 | N24 | C21 | C20 | 163.7° | 180.0° |
| N24 | C17 | C18 | H31 | 37.2° | 175.0° |
| N24 | C17 | C18 | H32 | 156.9° | 55.0° |
| C24 | C25 | C26 | H38 | 180.0° | 180.0° |
| C24 | C25 | C26 | O29 | 179.3° | 180.0° |
| N24 | C21 | O22 | C20 | 177.6° | 180.0° |
| N24 | C21 | C20 | C19 | 148.6° | 180.0° |
| C21 | N24 | C17 | H30 | 47.3° | 33.3° |
| N24 | C21 | C20 | H35 | 90.4° | 60.0° |
| N24 | C21 | C20 | H36 | 27.6° | 60.0° |
| C26 | C25 | C24 | H37 | 179.4° | 180.0° |
| C25 | C26 | C27 | H39 | 179.6° | 180.0° |
| C25 | C26 | O29 | H54 | 1.5° | 90.0° |
| O29 | C26 | C25 | H38 | 0.7° | 0.0° |
| O29 | C26 | C27 | H39 | 1.1° | 0.0° |
| O22 | C21 | C20 | C19 | 33.7° | 0.0° |
| O22 | C21 | C20 | H35 | 87.3° | 120.0° |
| O22 | C21 | C20 | H36 | 154.6° | 120.0° |
| O22 | C21 | N24 | H48 | 166.0° | 180.0° |
| C21 | C20 | C19 | H35 | 121.0° | 120.0° |
| C21 | C20 | C19 | H36 | 121.0° | 120.0° |
| C21 | C20 | C19 | C15 | 169.4° | 180.0° |
| C21 | C20 | C19 | H33 | 49.0° | 60.0° |
| C21 | C20 | C19 | H34 | 70.3° | 60.0° |
| C21 | C20 | H35 | H36 | 117.0° | 119.9° |
| C20 | C21 | N24 | H48 | 16.3° | 0.0° |
| O17 | C16 | O18 | C15 | 179.6° | 180.0° |
| O17 | C16 | C15 | C19 | 90.9° | 120.0° |
| O17 | C16 | C15 | N23 | 149.5° | 0.0° |
| O17 | C16 | C15 | H29 | 29.8° | 120.0° |
| O17 | C16 | O18 | H53 | 0.0° | 0.1° |
| C20 | C19 | C15 | C16 | 84.5° | 175.0° |
| C20 | C19 | C15 | H33 | 120.4° | 120.0° |
| C20 | C19 | C15 | H34 | 120.3° | 120.0° |
| C20 | C19 | C15 | N23 | 154.2° | 65.0° |
| C20 | C19 | C15 | H29 | 36.3° | 55.0° |
| C20 | C19 | H33 | H34 | 119.0° | 120.0° |
| C19 | C20 | H35 | H36 | 117.0° | 120.0° |
| O18 | C16 | C15 | C19 | 89.5° | 60.0° |
| O18 | C16 | C15 | N23 | 30.1° | 180.0° |
| O18 | C16 | C15 | H29 | 149.8° | 60.0° |
| C16 | C15 | C19 | N23 | 121.3° | 120.0° |
| C16 | C15 | C19 | H29 | 120.8° | 120.0° |
| C16 | C15 | N23 | H29 | 119.0° | 120.0° |
| C16 | C15 | N23 | C14 | 113.3° | 85.0° |
| C16 | C15 | N23 | H9 | 66.6° | 95.0° |
| C16 | C15 | C19 | H33 | 35.8° | 65.0° |
| C16 | C15 | C19 | H34 | 155.1° | 55.0° |
| C15 | C16 | O18 | H53 | 179.6° | 180.0° |
| C19 | C15 | N23 | H29 | 117.0° | 120.0° |
| C19 | C15 | N23 | C14 | 122.6° | 155.0° |
| C19 | C15 | N23 | H9 | 57.4° | 25.0° |
| C15 | C19 | H33 | H34 | 118.9° | 120.0° |
| C15 | C19 | C20 | H35 | 69.7° | 60.0° |
| C15 | C19 | C20 | H36 | 48.4° | 60.0° |
| C15 | N23 | C14 | H9 | 180.0° | 180.0° |
| C15 | N23 | C14 | O15 | 12.8° | 0.0° |
| C15 | N23 | C14 | C1 | 166.7° | 180.0° |
| N23 | C15 | C19 | H33 | 85.5° | 55.0° |
| N23 | C15 | C19 | H34 | 33.8° | 175.0° |
| N23 | C14 | O15 | C1 | 179.5° | 180.0° |
| N23 | C14 | C1 | C2 | 140.9° | 180.0° |
| N23 | C14 | C1 | H10 | 98.6° | 60.0° |
| N23 | C14 | C1 | H11 | 20.4° | 60.0° |
| C14 | N23 | C15 | H29 | 5.6° | 35.0° |
| O15 | C14 | C1 | C2 | 39.7° | 0.0° |
| O15 | C14 | N23 | H9 | 167.2° | 180.0° |
| O15 | C14 | C1 | H10 | 80.9° | 120.0° |
| O15 | C14 | C1 | H11 | 160.2° | 120.0° |
| C14 | C1 | C2 | H10 | 120.5° | 119.9° |
| C14 | C1 | C2 | H11 | 120.5° | 120.0° |
| C14 | C1 | C2 | C3 | 139.6° | 180.0° |
| C1 | C14 | N23 | H9 | 13.3° | 0.0° |
| C14 | C1 | H10 | H11 | 118.4° | 120.0° |
| C14 | C1 | C2 | H12 | 100.1° | 60.0° |
| C14 | C1 | C2 | H13 | 19.4° | 60.1° |
| C1 | C2 | C3 | H12 | 120.2° | 120.0° |
| C1 | C2 | C3 | H13 | 120.2° | 120.0° |
| C1 | C2 | C3 | C4 | 106.5° | 180.0° |
| C2 | C1 | H10 | H11 | 118.5° | 120.0° |
| C1 | C2 | H12 | H13 | 119.3° | 120.0° |
| C1 | C2 | C3 | H14 | 133.5° | 60.0° |
| C1 | C2 | C3 | H15 | 13.5° | 60.0° |
| C2 | C3 | C4 | H14 | 120.0° | 120.0° |
| C2 | C3 | C4 | H15 | 120.0° | 120.0° |
| C2 | C3 | C4 | C5 | 174.0° | 180.0° |
| C3 | C2 | C1 | H10 | 19.1° | 60.1° |
| C3 | C2 | C1 | H11 | 99.9° | 60.0° |
| C3 | C2 | H12 | H13 | 119.3° | 120.0° |
| C2 | C3 | H14 | H15 | 120.0° | 120.1° |
| C2 | C3 | C4 | H16 | 53.2° | 60.0° |
| C2 | C3 | C4 | H17 | 65.2° | 60.0° |
| C3 | C4 | C5 | H16 | 120.8° | 120.0° |
| C3 | C4 | C5 | H17 | 120.8° | 120.0° |
| C3 | C4 | C5 | C6 | 129.2° | 180.0° |
| C3 | C4 | C5 | H7 | 9.5° | 60.0° |
| C3 | C4 | C5 | H8 | 111.0° | 60.0° |
| C4 | C3 | C2 | H12 | 13.7° | 60.0° |
| C4 | C3 | C2 | H13 | 133.2° | 60.0° |
| C4 | C3 | H14 | H15 | 120.0° | 120.0° |
| C3 | C4 | H16 | H17 | 117.6° | 120.0° |
| C4 | C5 | C6 | H7 | 119.8° | 120.0° |
| C4 | C5 | C6 | H8 | 119.8° | 119.9° |
| C4 | C5 | C6 | C7 | 152.6° | 180.0° |
| C4 | C5 | C6 | H5 | 32.7° | 60.0° |
| C4 | C5 | C6 | H6 | 87.4° | 60.0° |
| C4 | C5 | H7 | H8 | 120.7° | 119.9° |
| C5 | C4 | C3 | H14 | 66.0° | 60.0° |
| C5 | C4 | C3 | H15 | 54.0° | 60.0° |
| C5 | C4 | H16 | H17 | 117.6° | 120.1° |
| C5 | C6 | C7 | H5 | 119.9° | 120.0° |
| C5 | C6 | C7 | H6 | 119.9° | 120.0° |
| C5 | C6 | C7 | C8 | 84.4° | 180.0° |
| C5 | C6 | H5 | H6 | 120.2° | 120.0° |
| C6 | C5 | H7 | H8 | 120.7° | 120.0° |
| C6 | C5 | C4 | H16 | 110.0° | 60.0° |
| C6 | C5 | C4 | H17 | 8.5° | 60.0° |
| C5 | C6 | C7 | H18 | 156.3° | 60.0° |
| C5 | C6 | C7 | H19 | 34.9° | 60.0° |
| C6 | C7 | C8 | H18 | 119.3° | 120.0° |
| C6 | C7 | C8 | H19 | 119.3° | 120.0° |
| C6 | C7 | C8 | C9 | 159.3° | 180.0° |
| C6 | C7 | C8 | H1 | 80.5° | 60.0° |
| C6 | C7 | C8 | H2 | 39.1° | 60.0° |
| C7 | C6 | H5 | H6 | 120.2° | 120.0° |
| C7 | C6 | C5 | H7 | 87.6° | 60.0° |
| C7 | C6 | C5 | H8 | 32.9° | 60.1° |
| C6 | C7 | H18 | H19 | 122.0° | 120.1° |
| C7 | C8 | C9 | H1 | 120.2° | 120.0° |
| C7 | C8 | C9 | H2 | 120.2° | 120.0° |
| C7 | C8 | C9 | C10 | 172.0° | 180.0° |
| C7 | C8 | H1 | H2 | 119.4° | 120.0° |
| C7 | C8 | C9 | H3 | 68.1° | 60.0° |
| C7 | C8 | C9 | H4 | 52.1° | 60.0° |
| C8 | C7 | C6 | H5 | 35.6° | 60.0° |
| C8 | C7 | C6 | H6 | 155.7° | 60.0° |
| C8 | C7 | H18 | H19 | 122.0° | 120.0° |
| C8 | C9 | C10 | H3 | 119.9° | 120.0° |
| C8 | C9 | C10 | H4 | 119.9° | 120.0° |
| C8 | C9 | C10 | C11 | 163.2° | 180.0° |
| C9 | C8 | H1 | H2 | 119.5° | 120.1° |
| C8 | C9 | H3 | H4 | 120.3° | 120.0° |
| C9 | C8 | C7 | H18 | 40.0° | 60.0° |
| C9 | C8 | C7 | H19 | 81.4° | 60.0° |
| C8 | C9 | C10 | H27 | 43.2° | 60.1° |
| C8 | C9 | C10 | H28 | 76.8° | 60.1° |
| C9 | C10 | C11 | H27 | 120.0° | 120.0° |
| C9 | C10 | C11 | H28 | 120.0° | 120.0° |
| C9 | C10 | C11 | C12 | 158.0° | 180.0° |
| C10 | C9 | C8 | H1 | 51.8° | 60.0° |
| C10 | C9 | C8 | H2 | 67.9° | 60.0° |
| C10 | C9 | H3 | H4 | 120.3° | 120.1° |
| C9 | C10 | C11 | H25 | 38.4° | 60.0° |
| C9 | C10 | C11 | H26 | 82.5° | 60.0° |
| C9 | C10 | H27 | H28 | 120.0° | 120.1° |
| C10 | C11 | C12 | H25 | 119.6° | 120.0° |
| C10 | C11 | C12 | H26 | 119.5° | 120.1° |
| C10 | C11 | C12 | C13 | 179.5° | 180.0° |
| C11 | C10 | C9 | H3 | 76.9° | 60.0° |
| C11 | C10 | C9 | H4 | 43.3° | 60.0° |
| C10 | C11 | C12 | H23 | 59.4° | 60.0° |
| C10 | C11 | C12 | H24 | 60.5° | 60.0° |
| C10 | C11 | H25 | H26 | 121.3° | 120.1° |
| C11 | C10 | H27 | H28 | 120.0° | 120.0° |
| C11 | C12 | C13 | H23 | 120.0° | 120.0° |
| C11 | C12 | C13 | H24 | 120.0° | 120.0° |
| C11 | C12 | C13 | H20 | 180.0° | 180.0° |
| C11 | C12 | C13 | H21 | 60.0° | 60.0° |
| C11 | C12 | C13 | H22 | 60.0° | 60.0° |
| C11 | C12 | H23 | H24 | 119.9° | 120.0° |
| C12 | C11 | H25 | H26 | 121.3° | 119.9° |
| C12 | C11 | C10 | H27 | 82.0° | 60.0° |
| C12 | C11 | C10 | H28 | 38.0° | 60.0° |
| C12 | C13 | H20 | H21 | 120.0° | 120.0° |
| C12 | C13 | H20 | H22 | 120.0° | 119.9° |
| C12 | C13 | H21 | H22 | 120.0° | 119.9° |
| C13 | C12 | H23 | H24 | 119.9° | 120.0° |
| C13 | C12 | C11 | H25 | 61.0° | 60.0° |
| C13 | C12 | C11 | H26 | 59.9° | 59.9° |
| H1 | C8 | C9 | H3 | 171.7° | 60.0° |
| H1 | C8 | C9 | H4 | 68.1° | 179.9° |
| H1 | C8 | C7 | H18 | 160.2° | 180.0° |
| H1 | C8 | C7 | H19 | 38.8° | 60.0° |
| H2 | C8 | C9 | H3 | 52.0° | 180.0° |
| H2 | C8 | C9 | H4 | 172.3° | 60.0° |
| H2 | C8 | C7 | H18 | 80.2° | 60.0° |
| H2 | C8 | C7 | H19 | 158.4° | 180.0° |
| H3 | C9 | C10 | H27 | 163.1° | 179.9° |
| H3 | C9 | C10 | H28 | 43.1° | 59.9° |
| H4 | C9 | C10 | H27 | 76.7° | 59.9° |
| H4 | C9 | C10 | H28 | 163.3° | 180.0° |
| H5 | C6 | C5 | H7 | 152.5° | 60.0° |
| H5 | C6 | C5 | H8 | 87.1° | 179.9° |
| H5 | C6 | C7 | H18 | 83.7° | 60.0° |
| H5 | C6 | C7 | H19 | 154.9° | 180.0° |
| H6 | C6 | C5 | H7 | 32.3° | 180.0° |
| H6 | C6 | C5 | H8 | 152.8° | 59.9° |
| H6 | C6 | C7 | H18 | 36.4° | 179.9° |
| H6 | C6 | C7 | H19 | 85.0° | 60.0° |
| H7 | C5 | C4 | H16 | 130.3° | 179.9° |
| H7 | C5 | C4 | H17 | 111.3° | 60.0° |
| H8 | C5 | C4 | H16 | 9.8° | 59.9° |
| H8 | C5 | C4 | H17 | 128.2° | 180.0° |
| H9 | N23 | C15 | H29 | 174.4° | 145.0° |
| H10 | C1 | C2 | H12 | 139.4° | 59.9° |
| H10 | C1 | C2 | H13 | 101.1° | 180.0° |
| H11 | C1 | C2 | H12 | 20.4° | 180.0° |
| H11 | C1 | C2 | H13 | 139.9° | 59.9° |
| H12 | C2 | C3 | H14 | 106.3° | 180.0° |
| H12 | C2 | C3 | H15 | 133.7° | 60.0° |
| H13 | C2 | C3 | H14 | 13.3° | 60.0° |
| H13 | C2 | C3 | H15 | 106.8° | 180.0° |
| H14 | C3 | C4 | H16 | 173.2° | 60.0° |
| H14 | C3 | C4 | H17 | 54.8° | 180.0° |
| H15 | C3 | C4 | H16 | 66.8° | 180.0° |
| H15 | C3 | C4 | H17 | 174.8° | 60.0° |
| H20 | C13 | H21 | H22 | 120.0° | 120.0° |
| H20 | C13 | C12 | H23 | 60.0° | 60.0° |
| H20 | C13 | C12 | H24 | 60.0° | 60.0° |
| H21 | C13 | C12 | H23 | 180.0° | 60.1° |
| H21 | C13 | C12 | H24 | 60.0° | 180.0° |
| H22 | C13 | C12 | H23 | 60.0° | 179.9° |
| H22 | C13 | C12 | H24 | 180.0° | 60.0° |
| H23 | C12 | C11 | H25 | 179.0° | 180.0° |
| H23 | C12 | C11 | H26 | 60.1° | 60.1° |
| H24 | C12 | C11 | H25 | 59.1° | 60.1° |
| H24 | C12 | C11 | H26 | 179.9° | 179.9° |
| H25 | C11 | C10 | H27 | 158.4° | 60.0° |
| H25 | C11 | C10 | H28 | 81.6° | 180.0° |
| H26 | C11 | C10 | H27 | 37.5° | 179.9° |
| H26 | C11 | C10 | H28 | 157.5° | 60.0° |
| H29 | C15 | C19 | H33 | 156.7° | 175.0° |
| H29 | C15 | C19 | H34 | 84.0° | 65.0° |
| H30 | C17 | C18 | H31 | 157.8° | 65.0° |
| H30 | C17 | C18 | H32 | 82.6° | 175.0° |
| H30 | C17 | N24 | H48 | 132.7° | 146.7° |
| H33 | C19 | C20 | H35 | 170.0° | NaN° |
| H33 | C19 | C20 | H36 | 72.0° | 60.0° |
| H34 | C19 | C20 | H35 | 50.7° | 60.0° |
| H34 | C19 | C20 | H36 | 168.7° | 180.0° |
| H37 | C24 | C25 | H38 | 0.6° | 0.0° |
| H39 | C27 | C28 | H40 | 0.1° | 0.1° |
| H41 | C32 | C33 | H43 | 167.8° | 71.1° |
| H41 | C32 | C33 | H44 | 47.8° | 49.5° |
| H42 | C32 | C33 | H43 | 47.2° | 48.4° |
| H42 | C32 | C33 | H44 | 72.7° | 168.9° |
| H43 | C33 | C34 | H45 | 35.2° | 59.2° |
| H44 | C33 | C34 | H45 | 84.8° | 179.9° |
| H45 | C34 | N31 | H49 | 48.8° | 103.0° |
| H46 | C35 | N32 | H50 | 171.7° | 120.0° |
| H47 | C35 | N32 | H50 | 52.7° | 119.9° |
