A1B21
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | C29 | sing | 1.53Å | 1.54Å | |
| C28 | C27 | sing | 1.53Å | 1.54Å | |
| C38 | C36 | sing | 1.53Å | 1.54Å | |
| C29 | C30 | sing | 1.53Å | 1.54Å | |
| C29 | C34 | sing | 1.53Å | 1.54Å | |
| C39 | C36 | sing | 1.53Å | 1.54Å | |
| C27 | C26 | sing | 1.53Å | 1.54Å | |
| C27 | C32 | sing | 1.53Å | 1.55Å | |
| C30 | C31 | sing | 1.53Å | 1.54Å | |
| C26 | C31 | sing | 1.53Å | 1.54Å | |
| C36 | C37 | sing | 1.53Å | 1.54Å | |
| C36 | N2 | sing | 1.47Å | 1.49Å | |
| C31 | C35 | sing | 1.53Å | 1.54Å | |
| O1 | C3 | doub | 1.22Å | 1.25Å | |
| C34 | C33 | sing | 1.53Å | 1.55Å | |
| C32 | C33 | sing | 1.53Å | 1.55Å | |
| N2 | C3 | sing | 1.35Å | 1.37Å | |
| C33 | C35 | sing | 1.53Å | 1.55Å | |
| C33 | C14 | sing | 1.53Å | 1.56Å | |
| C3 | N11 | sing | 1.35Å | 1.36Å | |
| N4 | C14 | sing | 1.46Å | 1.45Å | |
| N4 | C12 | sing | 1.35Å | 1.35Å | |
| N11 | C10 | sing | 1.46Å | 1.46Å | |
| C14 | C13 | sing | 1.51Å | 1.53Å | |
| C10 | C12 | sing | 1.51Å | 1.55Å | |
| C10 | C9 | sing | 1.53Å | 1.57Å | |
| C6 | C9 | sing | 1.53Å | 1.54Å | |
| C12 | O5 | doub | 1.21Å | 1.24Å | |
| O19 | C13 | doub | 1.21Å | 1.24Å | |
| C13 | N15 | sing | 1.35Å | 1.34Å | |
| C9 | C8 | sing | 1.53Å | 1.54Å | |
| C9 | C7 | sing | 1.53Å | 1.55Å | |
| N15 | C16 | sing | 1.46Å | 1.46Å | |
| C16 | C17 | sing | 1.51Å | 1.52Å | |
| C16 | C18 | sing | 1.53Å | 1.54Å | |
| C17 | N40 | doub | 1.28Å | 1.27Å | |
| C18 | C20 | sing | 1.53Å | 1.45Å | |
| C20 | C21 | sing | 1.55Å | 1.58Å | |
| C20 | C24 | sing | 1.51Å | 1.54Å | |
| C21 | C22 | sing | 1.54Å | 1.54Å | |
| C24 | O25 | doub | 1.21Å | 1.22Å | |
| C24 | N23 | sing | 1.34Å | 1.32Å | |
| C22 | N23 | sing | 1.47Å | 1.47Å | |
| C6 | H1 | sing | 1.09Å | 1.10Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | 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 | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.08Å | 1.08Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C26 | H21 | sing | 1.09Å | 1.10Å | |
| C26 | H22 | sing | 1.09Å | 1.10Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| C28 | H24 | sing | 1.09Å | 1.10Å | |
| C28 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | H26 | sing | 1.09Å | 1.10Å | |
| C30 | H27 | sing | 1.09Å | 1.10Å | |
| C30 | H28 | sing | 1.09Å | 1.10Å | |
| C31 | H29 | sing | 1.09Å | 1.10Å | |
| C32 | H30 | sing | 1.09Å | 1.10Å | |
| C32 | H31 | sing | 1.09Å | 1.10Å | |
| C34 | H32 | sing | 1.09Å | 1.10Å | |
| C34 | H33 | sing | 1.09Å | 1.10Å | |
| C35 | H34 | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C37 | H36 | sing | 1.09Å | 1.10Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C37 | H38 | sing | 1.09Å | 1.10Å | |
| C38 | H39 | sing | 1.09Å | 1.10Å | |
| C38 | H40 | sing | 1.09Å | 1.10Å | |
| C38 | H41 | sing | 1.09Å | 1.10Å | |
| C39 | H42 | sing | 1.09Å | 1.10Å | |
| C39 | H43 | sing | 1.09Å | 1.10Å | |
| C39 | H44 | sing | 1.09Å | 1.10Å | |
| N11 | H45 | sing | 0.97Å | 1.00Å | |
| N15 | H46 | sing | 0.97Å | 1.00Å | |
| N2 | H47 | sing | 0.97Å | 1.00Å | |
| N23 | H48 | sing | 0.97Å | 1.00Å | |
| N4 | H49 | sing | 0.97Å | 1.00Å | |
| N40 | H50 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C29 | C28 | C27 | 109.4° | 109.5° |
| C28 | C29 | C30 | 109.6° | 109.5° |
| C28 | C29 | C34 | 109.6° | 109.5° |
| C29 | C28 | H24 | 109.5° | 109.5° |
| C29 | C28 | H25 | 109.5° | 109.5° |
| C28 | C29 | H26 | 109.5° | 109.5° |
| C28 | C27 | C26 | 109.1° | 109.4° |
| C28 | C27 | C32 | 109.8° | 109.5° |
| C28 | C27 | H23 | 109.5° | 109.4° |
| C27 | C28 | H24 | 109.5° | 109.5° |
| C27 | C28 | H25 | 109.5° | 109.5° |
| C38 | C36 | C39 | 111.2° | 109.5° |
| C38 | C36 | C37 | 108.7° | 109.5° |
| C38 | C36 | N2 | 111.1° | 109.5° |
| C36 | C38 | H39 | 109.5° | 109.5° |
| C36 | C38 | H40 | 109.5° | 109.4° |
| C36 | C38 | H41 | 109.4° | 109.5° |
| C30 | C29 | C34 | 109.1° | 109.5° |
| C29 | C30 | C31 | 109.3° | 109.5° |
| C30 | C29 | H26 | 109.5° | 109.5° |
| C29 | C30 | H27 | 109.5° | 109.5° |
| C29 | C30 | H28 | 109.5° | 109.4° |
| C29 | C34 | C33 | 110.8° | 109.5° |
| C34 | C29 | H26 | 109.5° | 109.4° |
| C29 | C34 | H32 | 109.1° | 109.5° |
| C29 | C34 | H33 | 109.1° | 109.5° |
| C39 | C36 | C37 | 109.2° | 109.4° |
| C39 | C36 | N2 | 111.2° | 109.5° |
| C36 | C39 | H42 | 109.5° | 109.5° |
| C36 | C39 | H43 | 109.4° | 109.5° |
| C36 | C39 | H44 | 109.4° | 109.5° |
| C26 | C27 | C32 | 109.5° | 109.5° |
| C27 | C26 | C31 | 109.3° | 109.5° |
| C27 | C26 | H21 | 109.5° | 109.5° |
| C27 | C26 | H22 | 109.5° | 109.4° |
| C26 | C27 | H23 | 109.5° | 109.4° |
| C27 | C32 | C33 | 110.5° | 109.5° |
| C32 | C27 | H23 | 109.4° | 109.5° |
| C27 | C32 | H30 | 109.2° | 109.4° |
| C27 | C32 | H31 | 109.2° | 109.4° |
| C30 | C31 | C26 | 110.0° | 109.4° |
| C30 | C31 | C35 | 109.4° | 109.5° |
| C31 | C30 | H27 | 109.5° | 109.5° |
| C31 | C30 | H28 | 109.5° | 109.5° |
| C30 | C31 | H29 | 109.3° | 109.5° |
| C26 | C31 | C35 | 109.5° | 109.5° |
| C31 | C26 | H21 | 109.5° | 109.5° |
| C31 | C26 | H22 | 109.5° | 109.5° |
| C26 | C31 | H29 | 109.3° | 109.4° |
| C37 | C36 | N2 | 105.3° | 109.5° |
| C36 | C37 | H36 | 109.5° | 109.5° |
| C36 | C37 | H37 | 109.5° | 109.5° |
| C36 | C37 | H38 | 109.5° | 109.5° |
| C36 | N2 | C3 | 131.4° | 120.0° |
| C36 | N2 | H47 | 114.3° | 120.0° |
| C31 | C35 | C33 | 110.3° | 109.5° |
| C35 | C31 | H29 | 109.3° | 109.5° |
| C31 | C35 | H34 | 109.3° | 109.4° |
| C31 | C35 | H35 | 109.3° | 109.4° |
| O1 | C3 | N2 | 119.7° | 120.0° |
| O1 | C3 | N11 | 121.9° | 120.0° |
| C34 | C33 | C32 | 107.9° | 109.5° |
| C34 | C33 | C35 | 109.0° | 109.5° |
| C34 | C33 | C14 | 109.2° | 109.5° |
| C33 | C34 | H32 | 109.1° | 109.5° |
| C33 | C34 | H33 | 109.1° | 109.4° |
| C32 | C33 | C35 | 108.4° | 109.5° |
| C32 | C33 | C14 | 110.1° | 109.5° |
| C33 | C32 | H30 | 109.2° | 109.5° |
| C33 | C32 | H31 | 109.2° | 109.5° |
| N2 | C3 | N11 | 118.4° | 120.0° |
| C3 | N2 | H47 | 114.3° | 120.0° |
| C35 | C33 | C14 | 112.1° | 109.4° |
| C33 | C35 | H34 | 109.3° | 109.5° |
| C33 | C35 | H35 | 109.3° | 109.5° |
| C33 | C14 | N4 | 115.4° | 109.5° |
| C33 | C14 | C13 | 115.1° | 109.4° |
| C33 | C14 | H11 | 106.3° | 109.5° |
| C3 | N11 | C10 | 124.3° | 120.0° |
| C3 | N11 | H45 | 117.8° | 120.0° |
| C14 | N4 | C12 | 123.2° | 120.0° |
| N4 | C14 | C13 | 105.3° | 109.5° |
| N4 | C14 | H11 | 107.5° | 109.5° |
| C14 | N4 | H49 | 118.4° | 120.0° |
| N4 | C12 | C10 | 113.7° | 120.0° |
| N4 | C12 | O5 | 122.1° | 119.9° |
| C12 | N4 | H49 | 118.4° | 120.0° |
| N11 | C10 | C12 | 109.9° | 109.5° |
| N11 | C10 | C9 | 114.8° | 109.5° |
| N11 | C10 | H10 | 104.7° | 109.5° |
| C10 | N11 | H45 | 117.9° | 120.0° |
| C14 | C13 | O19 | 121.7° | 120.0° |
| C14 | C13 | N15 | 115.6° | 120.0° |
| C13 | C14 | H11 | 106.7° | 109.4° |
| C12 | C10 | C9 | 118.3° | 109.5° |
| C10 | C12 | O5 | 124.2° | 120.1° |
| C12 | C10 | H10 | 103.8° | 109.5° |
| C10 | C9 | C6 | 113.5° | 109.5° |
| C10 | C9 | C8 | 110.1° | 109.5° |
| C10 | C9 | C7 | 107.3° | 109.5° |
| C9 | C10 | H10 | 103.6° | 109.5° |
| C6 | C9 | C8 | 109.5° | 109.4° |
| C6 | C9 | C7 | 108.9° | 109.5° |
| C9 | C6 | H1 | 109.5° | 109.5° |
| C9 | C6 | H2 | 109.5° | 109.4° |
| C9 | C6 | H3 | 109.5° | 109.5° |
| O19 | C13 | N15 | 122.7° | 120.0° |
| C13 | N15 | C16 | 124.1° | 120.0° |
| C13 | N15 | H46 | 118.0° | 120.0° |
| C8 | C9 | C7 | 107.3° | 109.5° |
| C9 | C8 | H7 | 109.5° | 109.4° |
| C9 | C8 | H8 | 109.5° | 109.5° |
| C9 | C8 | H9 | 109.5° | 109.5° |
| C9 | C7 | H4 | 109.5° | 109.5° |
| C9 | C7 | H5 | 109.5° | 109.4° |
| C9 | C7 | H6 | 109.5° | 109.4° |
| N15 | C16 | C17 | 107.1° | 109.5° |
| N15 | C16 | C18 | 110.0° | 109.5° |
| N15 | C16 | H12 | 109.8° | 109.5° |
| C16 | N15 | H46 | 117.9° | 120.0° |
| C17 | C16 | C18 | 112.3° | 109.5° |
| C16 | C17 | N40 | 120.2° | 120.0° |
| C17 | C16 | H12 | 108.9° | 109.4° |
| C16 | C17 | H13 | 119.9° | 120.0° |
| C16 | C18 | C20 | 117.9° | 109.5° |
| C18 | C16 | H12 | 108.7° | 109.5° |
| C16 | C18 | H14 | 107.3° | 109.5° |
| C16 | C18 | H15 | 107.3° | 109.5° |
| N40 | C17 | H13 | 119.9° | 120.0° |
| C17 | N40 | H50 | 112.0° | 120.0° |
| C18 | C20 | C21 | 116.8° | 110.5° |
| C18 | C20 | C24 | 120.7° | 110.5° |
| C20 | C18 | H14 | 107.3° | 109.5° |
| C20 | C18 | H15 | 107.3° | 109.5° |
| C18 | C20 | H16 | 106.5° | 110.4° |
| C21 | C20 | C24 | 100.7° | 104.2° |
| C20 | C21 | C22 | 107.0° | 101.8° |
| C21 | C20 | H16 | 105.2° | 110.5° |
| C20 | C21 | H17 | 110.1° | 111.0° |
| C20 | C21 | H18 | 110.1° | 111.0° |
| C20 | C24 | O25 | 117.8° | 125.0° |
| C20 | C24 | N23 | 111.2° | 110.1° |
| C24 | C20 | H16 | 105.6° | 110.6° |
| C21 | C22 | N23 | 102.7° | 105.4° |
| C22 | C21 | H17 | 110.1° | 111.0° |
| C22 | C21 | H18 | 110.1° | 110.9° |
| C21 | C22 | H19 | 111.1° | 110.3° |
| C21 | C22 | H20 | 111.1° | 110.3° |
| O25 | C24 | N23 | 131.0° | 125.0° |
| C24 | N23 | C22 | 115.5° | 111.3° |
| C24 | N23 | H48 | 122.3° | 124.3° |
| N23 | C22 | H19 | 111.1° | 110.2° |
| N23 | C22 | H20 | 111.1° | 110.3° |
| C22 | N23 | H48 | 122.2° | 124.4° |
| H1 | C6 | H2 | 109.5° | 109.5° |
| H1 | C6 | H3 | 109.5° | 109.5° |
| H2 | C6 | H3 | 109.4° | 109.4° |
| H4 | C7 | H5 | 109.5° | 109.5° |
| H4 | C7 | H6 | 109.5° | 109.5° |
| H5 | C7 | H6 | 109.4° | 109.5° |
| H7 | C8 | H8 | 109.4° | 109.5° |
| H7 | C8 | H9 | 109.4° | 109.4° |
| H8 | C8 | H9 | 109.5° | 109.5° |
| H14 | C18 | H15 | 109.4° | 109.4° |
| H17 | C21 | H18 | 109.5° | 110.8° |
| H19 | C22 | H20 | 109.5° | 110.3° |
| H21 | C26 | H22 | 109.5° | 109.4° |
| H24 | C28 | H25 | 109.5° | 109.5° |
| H27 | C30 | H28 | 109.5° | 109.4° |
| H30 | C32 | H31 | 109.5° | 109.5° |
| H32 | C34 | H33 | 109.5° | 109.5° |
| H34 | C35 | H35 | 109.5° | 109.5° |
| H36 | C37 | H37 | 109.4° | 109.5° |
| H36 | C37 | H38 | 109.4° | 109.4° |
| H37 | C37 | H38 | 109.5° | 109.4° |
| H39 | C38 | H40 | 109.4° | 109.5° |
| H39 | C38 | H41 | 109.5° | 109.5° |
| H40 | C38 | H41 | 109.5° | 109.4° |
| H42 | C39 | H43 | 109.5° | 109.5° |
| H42 | C39 | H44 | 109.5° | 109.5° |
| H43 | C39 | H44 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C29 | C28 | C27 | H24 | 120.0° | 120.0° |
| C29 | C28 | C27 | H25 | 120.0° | 120.0° |
| C28 | C29 | C30 | C34 | 120.0° | 120.0° |
| C28 | C29 | C30 | H26 | 120.1° | 120.1° |
| C28 | C29 | C34 | H26 | 120.1° | 120.0° |
| C29 | C28 | C27 | C26 | 60.8° | 60.0° |
| C29 | C28 | C27 | C32 | 59.2° | 60.0° |
| C28 | C29 | C30 | C31 | 59.5° | 60.0° |
| C28 | C29 | C34 | C33 | 60.4° | 60.0° |
| C29 | C28 | C27 | H23 | 179.4° | 179.9° |
| C29 | C28 | H24 | H25 | 120.0° | 120.0° |
| C28 | C29 | C30 | H27 | 179.5° | 180.0° |
| C28 | C29 | C30 | H28 | 60.5° | 60.0° |
| C28 | C29 | C34 | H32 | 59.9° | 60.0° |
| C28 | C29 | C34 | H33 | 179.4° | 180.0° |
| C27 | C28 | C29 | C30 | 60.5° | 60.0° |
| C27 | C28 | C29 | C34 | 59.2° | 60.0° |
| C28 | C27 | C26 | C32 | 120.2° | 120.0° |
| C28 | C27 | C26 | H23 | 119.9° | 119.9° |
| C28 | C27 | C32 | H23 | 120.3° | 120.0° |
| C28 | C27 | C26 | C31 | 60.3° | 60.1° |
| C28 | C27 | C32 | C33 | 60.0° | 60.0° |
| C28 | C27 | C26 | H21 | 59.6° | 60.0° |
| C28 | C27 | C26 | H22 | 179.7° | 180.0° |
| C27 | C28 | H24 | H25 | 120.0° | 120.0° |
| C27 | C28 | C29 | H26 | 179.4° | 180.0° |
| C28 | C27 | C32 | H30 | 179.9° | 180.0° |
| C28 | C27 | C32 | H31 | 60.2° | 60.0° |
| C38 | C36 | C39 | C37 | 119.9° | 120.0° |
| C38 | C36 | C39 | N2 | 124.4° | 120.0° |
| C38 | C36 | C37 | N2 | 119.1° | 120.0° |
| C38 | C36 | N2 | C3 | 68.8° | 60.0° |
| C38 | C36 | C37 | H36 | 180.0° | 180.0° |
| C38 | C36 | C37 | H37 | 60.0° | 60.0° |
| C38 | C36 | C37 | H38 | 60.0° | 60.0° |
| C36 | C38 | H39 | H40 | 120.0° | 120.0° |
| C36 | C38 | H39 | H41 | 120.0° | 120.1° |
| C36 | C38 | H40 | H41 | 120.0° | 120.0° |
| C38 | C36 | C39 | H42 | 180.0° | 180.0° |
| C38 | C36 | C39 | H43 | 60.0° | 60.0° |
| C38 | C36 | C39 | H44 | 60.0° | 59.9° |
| C38 | C36 | N2 | H47 | 111.2° | 120.1° |
| C30 | C29 | C34 | H26 | 119.9° | 120.0° |
| C29 | C30 | C31 | H27 | 120.0° | 120.0° |
| C29 | C30 | C31 | H28 | 120.0° | 120.0° |
| C29 | C30 | C31 | C26 | 59.3° | 60.0° |
| C29 | C30 | C31 | C35 | 60.9° | 60.0° |
| C30 | C29 | C34 | C33 | 59.6° | 60.0° |
| C30 | C29 | C28 | H24 | 59.5° | 180.0° |
| C30 | C29 | C28 | H25 | 179.5° | 60.0° |
| C29 | C30 | H27 | H28 | 120.1° | 120.0° |
| C29 | C30 | C31 | H29 | 179.4° | 180.0° |
| C30 | C29 | C34 | H32 | 179.8° | 180.0° |
| C30 | C29 | C34 | H33 | 60.6° | 60.0° |
| C34 | C29 | C30 | C31 | 60.5° | 60.0° |
| C29 | C34 | C33 | H32 | 120.2° | 120.0° |
| C29 | C34 | C33 | H33 | 120.2° | 120.0° |
| C29 | C34 | C33 | C32 | 59.5° | 60.0° |
| C29 | C34 | C33 | C35 | 58.1° | 60.0° |
| C29 | C34 | C33 | C14 | 179.1° | 180.0° |
| C34 | C29 | C28 | H24 | 179.2° | 60.0° |
| C34 | C29 | C28 | H25 | 60.8° | 180.0° |
| C34 | C29 | C30 | H27 | 59.5° | 60.0° |
| C34 | C29 | C30 | H28 | 179.5° | 180.0° |
| C29 | C34 | H32 | H33 | 119.4° | 120.0° |
| C39 | C36 | C37 | N2 | 119.5° | 120.0° |
| C39 | C36 | N2 | C3 | 55.7° | 180.0° |
| C39 | C36 | C37 | H36 | 58.5° | 60.0° |
| C39 | C36 | C37 | H37 | 178.5° | 60.0° |
| C39 | C36 | C37 | H38 | 61.5° | 180.0° |
| C39 | C36 | C38 | H39 | 180.0° | 60.0° |
| C39 | C36 | C38 | H40 | 60.0° | 60.1° |
| C39 | C36 | C38 | H41 | 60.0° | 180.0° |
| C36 | C39 | H42 | H43 | 120.0° | 120.0° |
| C36 | C39 | H42 | H44 | 120.0° | 120.0° |
| C36 | C39 | H43 | H44 | 120.0° | 120.0° |
| C39 | C36 | N2 | H47 | 124.3° | 0.0° |
| C26 | C27 | C32 | H23 | 120.0° | 120.0° |
| C27 | C26 | C31 | C30 | 59.9° | 60.1° |
| C27 | C26 | C31 | H21 | 120.0° | 120.1° |
| C27 | C26 | C31 | H22 | 119.9° | 119.9° |
| C27 | C26 | C31 | C35 | 60.3° | 60.0° |
| C26 | C27 | C32 | C33 | 59.8° | 60.0° |
| C27 | C26 | H21 | H22 | 120.1° | 120.0° |
| C26 | C27 | C28 | H24 | 59.2° | 180.0° |
| C26 | C27 | C28 | H25 | 179.2° | 60.0° |
| C27 | C26 | C31 | H29 | 180.0° | 180.0° |
| C26 | C27 | C32 | H30 | 60.4° | 60.0° |
| C26 | C27 | C32 | H31 | 179.9° | 180.0° |
| C32 | C27 | C26 | C31 | 59.8° | 60.0° |
| C27 | C32 | C33 | C34 | 59.1° | 60.0° |
| C27 | C32 | C33 | H30 | 120.1° | 120.0° |
| C27 | C32 | C33 | H31 | 120.1° | 120.0° |
| C27 | C32 | C33 | C35 | 58.8° | 60.0° |
| C27 | C32 | C33 | C14 | 178.1° | 180.0° |
| C32 | C27 | C26 | H21 | 179.8° | 180.0° |
| C32 | C27 | C26 | H22 | 60.1° | 60.0° |
| C32 | C27 | C28 | H24 | 179.2° | 60.0° |
| C32 | C27 | C28 | H25 | 60.8° | 180.0° |
| C27 | C32 | H30 | H31 | 119.5° | 120.0° |
| C30 | C31 | C26 | C35 | 120.2° | 120.0° |
| C30 | C31 | C26 | H29 | 120.1° | 120.0° |
| C30 | C31 | C35 | H29 | 119.7° | 120.0° |
| C30 | C31 | C35 | C33 | 60.0° | 60.0° |
| C30 | C31 | C26 | H21 | 60.1° | 60.0° |
| C30 | C31 | C26 | H22 | 179.8° | 180.0° |
| C31 | C30 | C29 | H26 | 179.6° | 179.9° |
| C31 | C30 | H27 | H28 | 120.1° | 120.0° |
| C30 | C31 | C35 | H34 | 60.1° | 60.0° |
| C30 | C31 | C35 | H35 | 179.9° | 180.0° |
| C26 | C31 | C35 | H29 | 119.7° | 120.0° |
| C26 | C31 | C35 | C33 | 60.6° | 60.0° |
| C31 | C26 | H21 | H22 | 120.1° | 120.0° |
| C31 | C26 | C27 | H23 | 179.8° | 180.0° |
| C26 | C31 | C30 | H27 | 179.3° | 180.0° |
| C26 | C31 | C30 | H28 | 60.6° | 60.0° |
| C26 | C31 | C35 | H34 | 179.3° | 180.0° |
| C26 | C31 | C35 | H35 | 59.6° | 60.0° |
| C37 | C36 | N2 | C3 | 173.8° | 60.0° |
| C36 | C37 | H36 | H37 | 120.0° | 120.0° |
| C36 | C37 | H36 | H38 | 120.0° | 120.0° |
| C36 | C37 | H37 | H38 | 120.0° | 120.0° |
| C37 | C36 | C38 | H39 | 59.9° | 60.0° |
| C37 | C36 | C38 | H40 | 179.8° | 180.0° |
| C37 | C36 | C38 | H41 | 60.2° | 60.0° |
| C37 | C36 | C39 | H42 | 60.1° | 60.0° |
| C37 | C36 | C39 | H43 | 59.9° | 180.0° |
| C37 | C36 | C39 | H44 | 179.9° | 60.0° |
| C37 | C36 | N2 | H47 | 6.2° | 119.9° |
| C36 | N2 | C3 | O1 | 9.8° | 0.0° |
| C36 | N2 | C3 | H47 | 180.0° | 179.9° |
| C36 | N2 | C3 | N11 | 170.1° | 180.0° |
| N2 | C36 | C37 | H36 | 60.9° | 60.0° |
| N2 | C36 | C37 | H37 | 59.1° | 180.0° |
| N2 | C36 | C37 | H38 | 179.1° | 60.0° |
| N2 | C36 | C38 | H39 | 55.5° | 180.0° |
| N2 | C36 | C38 | H40 | 64.5° | 60.0° |
| N2 | C36 | C38 | H41 | 175.5° | 59.9° |
| N2 | C36 | C39 | H42 | 55.6° | 60.0° |
| N2 | C36 | C39 | H43 | 175.6° | 60.0° |
| N2 | C36 | C39 | H44 | 64.4° | 180.0° |
| C31 | C35 | C33 | C34 | 58.0° | 60.0° |
| C31 | C35 | C33 | C32 | 59.2° | 60.0° |
| C31 | C35 | C33 | H34 | 120.1° | 120.0° |
| C31 | C35 | C33 | H35 | 120.1° | 120.0° |
| C31 | C35 | C33 | C14 | 179.0° | 180.0° |
| C35 | C31 | C26 | H21 | 179.7° | 180.0° |
| C35 | C31 | C26 | H22 | 59.6° | 60.0° |
| C35 | C31 | C30 | H27 | 59.1° | 60.0° |
| C35 | C31 | C30 | H28 | 179.1° | 180.0° |
| C31 | C35 | H34 | H35 | 119.6° | 119.9° |
| O1 | C3 | N2 | N11 | 179.9° | 180.0° |
| O1 | C3 | N11 | C10 | 26.0° | 0.0° |
| O1 | C3 | N11 | H45 | 154.0° | 180.0° |
| O1 | C3 | N2 | H47 | 170.2° | 179.9° |
| C34 | C33 | C32 | C35 | 117.9° | 120.0° |
| C34 | C33 | C32 | C14 | 119.1° | 120.0° |
| C34 | C33 | C35 | C14 | 121.0° | 120.0° |
| C34 | C33 | C14 | N4 | 52.4° | 63.3° |
| C34 | C33 | C14 | C13 | 175.4° | 56.8° |
| C34 | C33 | C14 | H11 | 66.7° | 176.7° |
| C33 | C34 | C29 | H26 | 179.5° | 180.0° |
| C34 | C33 | C32 | H30 | 179.2° | 179.9° |
| C34 | C33 | C32 | H31 | 61.1° | 60.0° |
| C33 | C34 | H32 | H33 | 119.4° | 119.9° |
| C34 | C33 | C35 | H34 | 62.1° | 60.0° |
| C34 | C33 | C35 | H35 | 178.1° | 180.0° |
| C32 | C33 | C35 | C14 | 121.9° | 120.0° |
| C32 | C33 | C14 | N4 | 65.9° | 176.7° |
| C32 | C33 | C14 | C13 | 57.2° | 63.2° |
| C32 | C33 | C14 | H11 | 175.0° | 56.7° |
| C33 | C32 | C27 | H23 | 179.8° | 180.0° |
| C33 | C32 | H30 | H31 | 119.6° | 120.1° |
| C32 | C33 | C34 | H32 | 60.7° | 60.0° |
| C32 | C33 | C34 | H33 | 179.7° | 180.0° |
| C32 | C33 | C35 | H34 | 179.3° | 180.0° |
| C32 | C33 | C35 | H35 | 61.0° | 60.0° |
| N2 | C3 | N11 | C10 | 153.9° | 180.0° |
| N2 | C3 | N11 | H45 | 26.1° | 0.0° |
| C35 | C33 | C14 | N4 | 173.3° | 56.7° |
| C35 | C33 | C14 | C13 | 63.7° | 176.7° |
| C35 | C33 | C14 | H11 | 54.1° | 63.3° |
| C33 | C35 | C31 | H29 | 179.7° | 180.0° |
| C35 | C33 | C32 | H30 | 61.3° | 60.0° |
| C35 | C33 | C32 | H31 | 178.9° | 180.0° |
| C35 | C33 | C34 | H32 | 178.3° | 180.0° |
| C35 | C33 | C34 | H33 | 62.1° | 60.0° |
| C33 | C35 | H34 | H35 | 119.6° | 120.1° |
| C33 | C14 | N4 | C13 | 128.1° | 120.0° |
| C33 | C14 | N4 | H11 | 118.4° | 120.1° |
| C33 | C14 | N4 | C12 | 144.2° | 85.0° |
| C33 | C14 | C13 | H11 | 117.6° | 120.0° |
| C33 | C14 | C13 | O19 | 85.3° | 107.0° |
| C33 | C14 | C13 | N15 | 94.9° | 73.1° |
| C14 | C33 | C32 | H30 | 61.7° | 60.0° |
| C14 | C33 | C32 | H31 | 58.0° | 60.1° |
| C14 | C33 | C34 | H32 | 58.9° | 60.0° |
| C14 | C33 | C34 | H33 | 60.7° | 59.9° |
| C14 | C33 | C35 | H34 | 58.9° | 60.0° |
| C14 | C33 | C35 | H35 | 60.9° | 60.1° |
| C33 | C14 | N4 | H49 | 35.8° | 95.0° |
| C3 | N11 | C10 | H45 | 180.0° | 180.0° |
| C3 | N11 | C10 | C12 | 94.2° | 155.0° |
| C3 | N11 | C10 | C9 | 129.6° | 85.0° |
| C3 | N11 | C10 | H10 | 16.7° | 35.0° |
| N11 | C3 | N2 | H47 | 9.9° | 0.1° |
| C14 | N4 | C12 | H49 | 180.0° | 180.0° |
| N4 | C14 | C13 | H11 | 114.1° | 120.0° |
| C14 | N4 | C12 | C10 | 174.7° | 174.7° |
| C14 | N4 | C12 | O5 | 4.7° | 5.3° |
| N4 | C14 | C13 | O19 | 43.0° | 13.1° |
| N4 | C14 | C13 | N15 | 136.8° | 166.9° |
| N4 | C12 | C10 | N11 | 111.5° | 167.4° |
| C12 | N4 | C14 | C13 | 87.7° | 155.0° |
| N4 | C12 | C10 | O5 | 179.4° | 180.0° |
| N4 | C12 | C10 | C9 | 114.0° | 72.6° |
| N4 | C12 | C10 | H10 | 0.0° | 47.4° |
| C12 | N4 | C14 | H11 | 25.8° | 35.1° |
| N11 | C10 | C12 | C9 | 134.5° | 120.0° |
| N11 | C10 | C12 | H10 | 111.5° | 120.0° |
| N11 | C10 | C9 | H10 | 113.5° | 120.0° |
| N11 | C10 | C9 | C6 | 55.6° | 176.1° |
| N11 | C10 | C12 | O5 | 67.9° | 12.6° |
| N11 | C10 | C9 | C8 | 178.7° | 56.1° |
| N11 | C10 | C9 | C7 | 64.8° | 63.9° |
| C14 | C13 | O19 | N15 | 179.8° | 180.0° |
| C14 | C13 | N15 | C16 | 139.4° | 175.9° |
| C14 | C13 | N15 | H46 | 40.6° | 4.2° |
| C13 | C14 | N4 | H49 | 92.3° | 25.0° |
| C12 | C10 | C9 | H10 | 114.2° | 120.0° |
| C12 | C10 | C9 | C6 | 172.1° | 63.9° |
| C12 | C10 | C9 | C8 | 49.0° | 176.1° |
| C12 | C10 | C9 | C7 | 67.5° | 56.1° |
| C12 | C10 | N11 | H45 | 85.8° | 25.0° |
| C10 | C12 | N4 | H49 | 5.2° | 5.4° |
| C10 | C9 | C6 | C8 | 123.5° | 120.0° |
| C10 | C9 | C6 | C7 | 119.4° | 120.0° |
| C9 | C10 | C12 | O5 | 66.6° | 107.4° |
| C10 | C9 | C8 | C7 | 116.5° | 120.0° |
| C10 | C9 | C6 | H1 | 180.0° | 177.8° |
| C10 | C9 | C6 | H2 | 60.0° | 62.2° |
| C10 | C9 | C6 | H3 | 60.0° | 57.7° |
| C10 | C9 | C7 | H4 | 180.0° | 179.9° |
| C10 | C9 | C7 | H5 | 60.0° | 60.0° |
| C10 | C9 | C7 | H6 | 60.0° | 60.0° |
| C10 | C9 | C8 | H7 | 180.0° | 60.0° |
| C10 | C9 | C8 | H8 | 60.0° | 60.0° |
| C10 | C9 | C8 | H9 | 60.0° | 180.0° |
| C9 | C10 | N11 | H45 | 50.3° | 95.0° |
| C6 | C9 | C8 | C7 | 118.0° | 120.0° |
| C9 | C6 | H1 | H2 | 120.0° | 120.0° |
| C9 | C6 | H1 | H3 | 120.0° | 120.1° |
| C9 | C6 | H2 | H3 | 120.0° | 120.0° |
| C6 | C9 | C7 | H4 | 56.8° | 60.0° |
| C6 | C9 | C7 | H5 | 63.2° | 179.9° |
| C6 | C9 | C7 | H6 | 176.8° | 60.0° |
| C6 | C9 | C8 | H7 | 54.5° | 60.0° |
| C6 | C9 | C8 | H8 | 174.5° | 180.0° |
| C6 | C9 | C8 | H9 | 65.4° | 60.0° |
| C6 | C9 | C10 | H10 | 58.0° | 56.1° |
| O5 | C12 | C10 | H10 | 179.4° | 132.6° |
| O5 | C12 | N4 | H49 | 175.3° | 174.6° |
| O19 | C13 | N15 | C16 | 40.3° | 4.1° |
| O19 | C13 | C14 | H11 | 157.1° | 133.1° |
| O19 | C13 | N15 | H46 | 139.7° | 175.8° |
| C13 | N15 | C16 | H46 | 180.0° | 179.9° |
| C13 | N15 | C16 | C17 | 139.7° | 83.5° |
| C13 | N15 | C16 | C18 | 98.1° | 156.4° |
| N15 | C13 | C14 | H11 | 22.7° | 46.9° |
| C13 | N15 | C16 | H12 | 21.6° | 36.4° |
| C8 | C9 | C6 | H1 | 56.5° | 57.8° |
| C8 | C9 | C6 | H2 | 63.5° | 177.8° |
| C8 | C9 | C6 | H3 | 176.5° | 62.3° |
| C8 | C9 | C7 | H4 | 61.7° | 60.0° |
| C8 | C9 | C7 | H5 | 178.3° | 60.0° |
| C8 | C9 | C7 | H6 | 58.3° | 180.0° |
| C9 | C8 | H7 | H8 | 120.0° | 120.0° |
| C9 | C8 | H7 | H9 | 120.0° | 120.0° |
| C9 | C8 | H8 | H9 | 120.0° | 120.0° |
| C8 | C9 | C10 | H10 | 65.2° | 63.9° |
| C7 | C9 | C6 | H1 | 60.6° | 62.1° |
| C7 | C9 | C6 | H2 | 179.4° | 57.9° |
| C7 | C9 | C6 | H3 | 59.5° | 177.8° |
| C9 | C7 | H4 | H5 | 120.0° | 120.0° |
| C9 | C7 | H4 | H6 | 120.0° | 120.0° |
| C9 | C7 | H5 | H6 | 120.0° | 120.0° |
| C7 | C9 | C8 | H7 | 63.5° | 180.0° |
| C7 | C9 | C8 | H8 | 56.5° | 60.0° |
| C7 | C9 | C8 | H9 | 176.5° | 60.0° |
| C7 | C9 | C10 | H10 | 178.3° | 176.1° |
| N15 | C16 | C17 | C18 | 120.8° | 120.1° |
| N15 | C16 | C17 | H12 | 118.7° | 120.0° |
| N15 | C16 | C18 | H12 | 120.3° | 120.0° |
| N15 | C16 | C17 | N40 | 120.3° | 0.1° |
| N15 | C16 | C18 | C20 | 92.0° | 64.5° |
| N15 | C16 | C17 | H13 | 59.6° | 180.0° |
| N15 | C16 | C18 | H14 | 29.3° | 55.5° |
| N15 | C16 | C18 | H15 | 146.8° | 175.4° |
| C17 | C16 | C18 | H12 | 120.6° | 119.9° |
| C16 | C17 | N40 | H13 | 180.0° | 179.9° |
| C17 | C16 | C18 | C20 | 149.0° | 175.4° |
| C17 | C16 | C18 | H14 | 89.8° | 64.6° |
| C17 | C16 | C18 | H15 | 27.7° | 55.4° |
| C17 | C16 | N15 | H46 | 40.3° | 96.4° |
| C16 | C17 | N40 | H50 | 180.0° | 180.0° |
| C18 | C16 | C17 | N40 | 118.9° | 120.0° |
| C16 | C18 | C20 | H14 | 121.2° | 120.0° |
| C16 | C18 | C20 | H15 | 121.2° | 120.0° |
| C16 | C18 | C20 | C21 | 43.3° | 65.5° |
| C16 | C18 | C20 | C24 | 166.1° | 179.8° |
| C18 | C16 | C17 | H13 | 61.1° | 59.9° |
| C16 | C18 | H14 | H15 | 116.2° | 120.0° |
| C16 | C18 | C20 | H16 | 73.8° | 57.1° |
| C18 | C16 | N15 | H46 | 81.9° | 23.7° |
| N40 | C17 | C16 | H12 | 1.6° | 120.0° |
| C18 | C20 | C21 | C24 | 132.6° | 118.6° |
| C18 | C20 | C21 | H16 | 117.8° | 122.5° |
| C18 | C20 | C24 | H16 | 120.6° | 122.6° |
| C18 | C20 | C21 | C22 | 149.6° | 143.5° |
| C18 | C20 | C24 | O25 | 33.8° | 45.1° |
| C18 | C20 | C24 | N23 | 143.7° | 134.9° |
| C20 | C18 | C16 | H12 | 28.4° | 55.5° |
| C20 | C18 | H14 | H15 | 116.2° | 120.0° |
| C18 | C20 | C21 | H17 | 30.0° | 25.3° |
| C18 | C20 | C21 | H18 | 90.8° | 98.4° |
| C21 | C20 | C24 | H16 | 109.2° | 118.8° |
| C20 | C21 | C22 | H17 | 119.6° | 118.2° |
| C20 | C21 | C22 | H18 | 119.6° | 118.1° |
| C21 | C20 | C24 | O25 | 164.0° | 163.7° |
| C21 | C20 | C24 | N23 | 13.5° | 16.2° |
| C20 | C21 | C22 | N23 | 14.9° | 25.5° |
| C21 | C20 | C18 | H14 | 164.5° | 174.6° |
| C21 | C20 | C18 | H15 | 77.9° | 54.6° |
| C20 | C21 | H17 | H18 | 121.1° | 123.8° |
| C20 | C21 | C22 | H19 | 133.8° | 144.4° |
| C20 | C21 | C22 | H20 | 104.0° | 93.6° |
| C24 | C20 | C21 | C22 | 17.0° | 24.8° |
| C20 | C24 | O25 | N23 | 176.9° | 179.9° |
| C20 | C24 | N23 | C22 | 4.7° | 0.5° |
| C24 | C20 | C18 | H14 | 72.7° | 59.8° |
| C24 | C20 | C18 | H15 | 44.8° | 60.2° |
| C24 | C20 | C21 | H17 | 102.6° | 93.3° |
| C24 | C20 | C21 | H18 | 136.6° | 142.9° |
| C20 | C24 | N23 | H48 | 175.3° | 179.6° |
| C21 | C22 | N23 | C24 | 6.8° | 17.1° |
| C21 | C22 | N23 | H19 | 118.9° | 119.0° |
| C21 | C22 | N23 | H20 | 118.9° | 119.0° |
| C22 | C21 | C20 | H16 | 92.6° | 94.0° |
| C22 | C21 | H17 | H18 | 121.2° | 123.8° |
| C21 | C22 | H19 | H20 | 123.1° | 122.0° |
| C21 | C22 | N23 | H48 | 173.2° | 163.0° |
| O25 | C24 | N23 | C22 | 172.4° | 179.6° |
| O25 | C24 | C20 | H16 | 86.8° | 77.5° |
| O25 | C24 | N23 | H48 | 7.6° | 0.3° |
| C24 | N23 | C22 | H48 | 180.0° | 179.9° |
| N23 | C24 | C20 | H16 | 95.7° | 102.5° |
| C24 | N23 | C22 | H19 | 125.7° | 136.1° |
| C24 | N23 | C22 | H20 | 112.1° | 102.0° |
| N23 | C22 | C21 | H17 | 104.7° | 92.7° |
| N23 | C22 | C21 | H18 | 134.5° | 143.6° |
| N23 | C22 | H19 | H20 | 123.1° | 122.0° |
| H1 | C6 | H2 | H3 | 120.0° | 120.0° |
| H4 | C7 | H5 | H6 | 120.0° | 120.1° |
| H7 | C8 | H8 | H9 | 120.0° | 120.0° |
| H10 | C10 | N11 | H45 | 163.2° | 145.0° |
| H11 | C14 | N4 | H49 | 154.2° | 145.0° |
| H12 | C16 | C17 | H13 | 178.4° | 60.0° |
| H12 | C16 | C18 | H14 | 149.6° | 175.5° |
| H12 | C16 | C18 | H15 | 92.9° | 64.6° |
| H12 | C16 | N15 | H46 | 158.4° | 143.7° |
| H13 | C17 | N40 | H50 | 0.0° | 0.1° |
| H14 | C18 | C20 | H16 | 47.4° | 62.9° |
| H15 | C18 | C20 | H16 | 165.0° | 177.2° |
| H16 | C20 | C21 | H17 | 147.8° | 147.8° |
| H16 | C20 | C21 | H18 | 27.1° | 24.1° |
| H17 | C21 | C22 | H19 | 14.2° | 26.3° |
| H17 | C21 | C22 | H20 | 136.4° | 148.2° |
| H18 | C21 | C22 | H19 | 106.6° | 97.4° |
| H18 | C21 | C22 | H20 | 15.6° | 24.5° |
| H19 | C22 | N23 | H48 | 54.3° | 44.0° |
| H20 | C22 | N23 | H48 | 67.8° | 78.0° |
| H21 | C26 | C27 | H23 | 60.2° | 59.9° |
| H21 | C26 | C31 | H29 | 60.0° | 60.0° |
| H22 | C26 | C27 | H23 | 59.9° | 60.0° |
| H22 | C26 | C31 | H29 | 60.1° | 60.0° |
| H23 | C27 | C28 | H24 | 60.6° | 60.1° |
| H23 | C27 | C28 | H25 | 59.4° | 59.9° |
| H23 | C27 | C32 | H30 | 59.6° | 60.0° |
| H23 | C27 | C32 | H31 | 60.1° | 60.0° |
| H24 | C28 | C29 | H26 | 60.6° | 60.0° |
| H25 | C28 | C29 | H26 | 59.4° | 60.0° |
| H26 | C29 | C30 | H27 | 60.4° | 59.9° |
| H26 | C29 | C30 | H28 | 59.7° | 60.0° |
| H26 | C29 | C34 | H32 | 60.3° | 60.0° |
| H26 | C29 | C34 | H33 | 59.3° | 60.0° |
| H27 | C30 | C31 | H29 | 60.6° | 60.0° |
| H28 | C30 | C31 | H29 | 59.4° | 60.0° |
| H29 | C31 | C35 | H34 | 59.6° | 60.0° |
| H29 | C31 | C35 | H35 | 60.2° | 60.0° |
| H36 | C37 | H37 | H38 | 120.0° | 120.0° |
| H39 | C38 | H40 | H41 | 120.0° | 120.0° |
| H42 | C39 | H43 | H44 | 120.0° | 120.0° |
