MCX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C13 | sing | 1.53Å | 1.54Å | |
| C16 | C13 | sing | 1.53Å | 1.55Å | |
| C35 | C33 | sing | 1.54Å | 1.54Å | |
| C35 | C34 | sing | 1.54Å | 1.54Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C13 | C12 | sing | 1.53Å | 1.56Å | |
| C33 | C32 | sing | 1.54Å | 1.56Å | |
| C34 | C32 | sing | 1.54Å | 1.54Å | |
| N11 | C12 | sing | 1.47Å | 1.46Å | |
| N11 | C1 | sing | 1.35Å | 1.33Å | |
| C12 | C17 | sing | 1.51Å | 1.52Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C1 | N3 | sing | 1.35Å | 1.33Å | |
| C1 | O2 | doub | 1.22Å | 1.24Å | |
| N3 | C4 | sing | 1.46Å | 1.48Å | |
| C32 | C31 | sing | 1.53Å | 1.55Å | |
| C4 | C6 | sing | 1.53Å | 1.55Å | |
| C4 | C10 | sing | 1.53Å | 1.55Å | |
| C17 | O18 | doub | 1.21Å | 1.23Å | |
| C17 | N19 | sing | 1.35Å | 1.34Å | |
| C6 | C7 | sing | 1.53Å | 1.51Å | |
| C31 | C30 | sing | 1.53Å | 1.53Å | |
| N19 | C20 | sing | 1.48Å | 1.47Å | |
| N19 | C21 | sing | 1.48Å | 1.46Å | |
| C20 | C23 | sing | 1.54Å | 1.49Å | |
| O28 | C27 | doub | 1.21Å | 1.23Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| C30 | N29 | sing | 1.47Å | 1.46Å | |
| C30 | C37 | sing | 1.53Å | 1.55Å | |
| C27 | N29 | sing | 1.35Å | 1.33Å | |
| C27 | C21 | sing | 1.51Å | 1.52Å | |
| N39 | C40 | sing | 1.35Å | 1.33Å | |
| O38 | C40 | doub | 1.21Å | 1.23Å | |
| C21 | C22 | sing | 1.54Å | 1.47Å | |
| C40 | C37 | sing | 1.51Å | 1.55Å | |
| C23 | C22 | sing | 1.55Å | 1.49Å | |
| C23 | C24 | sing | 1.54Å | 1.54Å | |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| C37 | O36 | sing | 1.43Å | 1.46Å | |
| C22 | C24 | sing | 1.53Å | 1.50Å | |
| C26 | C24 | sing | 1.53Å | 1.52Å | |
| C24 | C25 | sing | 1.53Å | 1.48Å | |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| N11 | H15 | sing | 0.97Å | 1.00Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C22 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| C25 | H32 | sing | 1.09Å | 1.10Å | |
| C25 | H33 | sing | 1.09Å | 1.10Å | |
| C26 | H34 | sing | 1.09Å | 1.10Å | |
| C26 | H35 | sing | 1.09Å | 1.10Å | |
| C26 | H36 | sing | 1.09Å | 1.10Å | |
| N29 | H37 | sing | 0.97Å | 1.00Å | |
| C30 | H38 | sing | 1.09Å | 1.10Å | |
| C31 | H39 | sing | 1.09Å | 1.10Å | |
| C31 | H40 | sing | 1.09Å | 1.10Å | |
| C32 | H41 | sing | 1.09Å | 1.10Å | |
| C33 | H42 | sing | 1.09Å | 1.10Å | |
| C33 | H43 | sing | 1.09Å | 1.10Å | |
| C34 | 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 | |
| O36 | H48 | sing | 0.97Å | 0.95Å | |
| C37 | H49 | sing | 1.09Å | 1.10Å | |
| N39 | H50 | sing | 0.97Å | 1.00Å | |
| N39 | H51 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C13 | C16 | 107.3° | 109.5° |
| C15 | C13 | C14 | 109.6° | 109.4° |
| C15 | C13 | C12 | 107.4° | 109.5° |
| C13 | C15 | H20 | 109.5° | 109.5° |
| C13 | C15 | H21 | 109.4° | 109.5° |
| C13 | C15 | H22 | 109.5° | 109.5° |
| C16 | C13 | C14 | 107.6° | 109.5° |
| C16 | C13 | C12 | 116.5° | 109.5° |
| C13 | C16 | H23 | 109.5° | 109.5° |
| C13 | C16 | H24 | 109.5° | 109.4° |
| C13 | C16 | H25 | 109.5° | 109.5° |
| C33 | C35 | C34 | 89.6° | 87.1° |
| C35 | C33 | C32 | 89.4° | 87.1° |
| C35 | C33 | H42 | 114.3° | 113.6° |
| C35 | C33 | H43 | 114.2° | 113.7° |
| C33 | C35 | H46 | 114.2° | 113.6° |
| C33 | C35 | H47 | 114.2° | 113.6° |
| C35 | C34 | C32 | 90.1° | 87.0° |
| C35 | C34 | H44 | 114.1° | 113.7° |
| C35 | C34 | H45 | 114.1° | 113.7° |
| C34 | C35 | H46 | 114.2° | 113.7° |
| C34 | C35 | H47 | 114.2° | 113.5° |
| C14 | C13 | C12 | 108.3° | 109.5° |
| C13 | C14 | H17 | 109.5° | 109.4° |
| C13 | C14 | H18 | 109.5° | 109.4° |
| C13 | C14 | H19 | 109.5° | 109.4° |
| C13 | C12 | N11 | 111.5° | 109.4° |
| C13 | C12 | C17 | 111.6° | 109.5° |
| C13 | C12 | H16 | 107.8° | 109.5° |
| C33 | C32 | C34 | 88.9° | 87.2° |
| C33 | C32 | C31 | 119.1° | 113.7° |
| C33 | C32 | H41 | 110.3° | 113.6° |
| C32 | C33 | H42 | 114.2° | 113.6° |
| C32 | C33 | H43 | 114.2° | 113.6° |
| C34 | C32 | C31 | 115.9° | 113.6° |
| C34 | C32 | H41 | 110.6° | 113.6° |
| C32 | C34 | H44 | 114.1° | 113.6° |
| C32 | C34 | H45 | 114.1° | 113.6° |
| C12 | N11 | C1 | 121.5° | 120.0° |
| N11 | C12 | C17 | 108.5° | 109.5° |
| C12 | N11 | H15 | 119.3° | 119.9° |
| N11 | C12 | H16 | 109.1° | 109.5° |
| N11 | C1 | N3 | 114.6° | 120.0° |
| N11 | C1 | O2 | 122.3° | 120.0° |
| C1 | N11 | H15 | 119.2° | 120.1° |
| C12 | C17 | O18 | 120.4° | 120.0° |
| C12 | C17 | N19 | 117.3° | 120.0° |
| C17 | C12 | H16 | 108.2° | 109.5° |
| C5 | C4 | N3 | 108.2° | 109.5° |
| C5 | C4 | C6 | 107.3° | 109.5° |
| C5 | C4 | C10 | 106.1° | 109.5° |
| C4 | C5 | H2 | 109.5° | 109.5° |
| C4 | C5 | H3 | 109.5° | 109.5° |
| C4 | C5 | H4 | 109.5° | 109.4° |
| N3 | C1 | O2 | 123.1° | 120.0° |
| C1 | N3 | C4 | 123.1° | 120.0° |
| C1 | N3 | H1 | 118.5° | 120.0° |
| N3 | C4 | C6 | 110.0° | 109.5° |
| N3 | C4 | C10 | 115.2° | 109.5° |
| C4 | N3 | H1 | 118.4° | 120.0° |
| C32 | C31 | C30 | 116.5° | 109.5° |
| C32 | C31 | H39 | 107.7° | 109.5° |
| C32 | C31 | H40 | 107.7° | 109.4° |
| C31 | C32 | H41 | 110.4° | 112.9° |
| C6 | C4 | C10 | 109.8° | 109.4° |
| C4 | C6 | C7 | 110.5° | 109.5° |
| C4 | C6 | H5 | 109.2° | 109.5° |
| C4 | C6 | H6 | 109.2° | 109.5° |
| C4 | C10 | C9 | 111.1° | 109.5° |
| C4 | C10 | H13 | 109.1° | 109.5° |
| C4 | C10 | H14 | 109.1° | 109.4° |
| O18 | C17 | N19 | 122.0° | 120.0° |
| C17 | N19 | C20 | 128.8° | 127.9° |
| C17 | N19 | C21 | 119.4° | 127.8° |
| C6 | C7 | C8 | 110.1° | 109.5° |
| C7 | C6 | H5 | 109.2° | 109.4° |
| C7 | C6 | H6 | 109.2° | 109.5° |
| C6 | C7 | H7 | 109.3° | 109.5° |
| C6 | C7 | H8 | 109.3° | 109.5° |
| C31 | C30 | N29 | 109.5° | 109.5° |
| C31 | C30 | C37 | 110.8° | 109.5° |
| C31 | C30 | H38 | 107.1° | 109.5° |
| C30 | C31 | H39 | 107.7° | 109.5° |
| C30 | C31 | H40 | 107.7° | 109.4° |
| C20 | N19 | C21 | 111.7° | 104.3° |
| N19 | C20 | C23 | 102.4° | 104.6° |
| N19 | C20 | H26 | 111.2° | 110.4° |
| N19 | C20 | H27 | 111.2° | 110.5° |
| N19 | C21 | C27 | 108.0° | 110.4° |
| N19 | C21 | C22 | 107.6° | 104.6° |
| N19 | C21 | H28 | 109.4° | 110.4° |
| C20 | C23 | C22 | 111.0° | 104.9° |
| C20 | C23 | C24 | 114.1° | 118.2° |
| C23 | C20 | H26 | 111.2° | 110.4° |
| C23 | C20 | H27 | 111.2° | 110.4° |
| C20 | C23 | H30 | 119.6° | 117.6° |
| O28 | C27 | N29 | 123.4° | 120.0° |
| O28 | C27 | C21 | 120.3° | 120.0° |
| C7 | C8 | C9 | 111.0° | 109.4° |
| C8 | C7 | H7 | 109.3° | 109.5° |
| C8 | C7 | H8 | 109.3° | 109.4° |
| C7 | C8 | H9 | 109.1° | 109.5° |
| C7 | C8 | H10 | 109.1° | 109.5° |
| C10 | C9 | C8 | 111.0° | 109.5° |
| C10 | C9 | H11 | 109.1° | 109.5° |
| C10 | C9 | H12 | 109.1° | 109.5° |
| C9 | C10 | H13 | 109.0° | 109.5° |
| C9 | C10 | H14 | 109.0° | 109.4° |
| N29 | C30 | C37 | 114.3° | 109.5° |
| C30 | N29 | C27 | 122.1° | 120.0° |
| C30 | N29 | H37 | 119.0° | 120.0° |
| N29 | C30 | H38 | 108.0° | 109.4° |
| C30 | C37 | C40 | 106.5° | 109.5° |
| C30 | C37 | O36 | 108.6° | 109.5° |
| C37 | C30 | H38 | 106.8° | 109.5° |
| C30 | C37 | H49 | 109.8° | 109.4° |
| N29 | C27 | C21 | 116.3° | 120.0° |
| C27 | N29 | H37 | 119.0° | 120.0° |
| C27 | C21 | C22 | 113.7° | 110.4° |
| C27 | C21 | H28 | 108.7° | 110.4° |
| N39 | C40 | O38 | 122.1° | 120.0° |
| N39 | C40 | C37 | 121.5° | 120.0° |
| C40 | N39 | H50 | 120.0° | 120.0° |
| C40 | N39 | H51 | 120.0° | 120.0° |
| O38 | C40 | C37 | 116.4° | 120.0° |
| C21 | C22 | C23 | 104.7° | 104.8° |
| C21 | C22 | C24 | 125.5° | 118.1° |
| C22 | C21 | H28 | 109.3° | 110.4° |
| C21 | C22 | H29 | 116.6° | 117.6° |
| C40 | C37 | O36 | 110.9° | 109.5° |
| C40 | C37 | H49 | 109.8° | 109.5° |
| C22 | C23 | C24 | 59.4° | 59.5° |
| C23 | C22 | C24 | 62.1° | 59.9° |
| C23 | C22 | H29 | 116.3° | 123.2° |
| C22 | C23 | H30 | 119.8° | 121.8° |
| C23 | C24 | C22 | 58.6° | 60.7° |
| C23 | C24 | C26 | 120.2° | 117.4° |
| C23 | C24 | C25 | 117.1° | 117.5° |
| C24 | C23 | H30 | 118.6° | 120.4° |
| C9 | C8 | H9 | 109.1° | 109.4° |
| C9 | C8 | H10 | 109.1° | 109.5° |
| C8 | C9 | H11 | 109.1° | 109.5° |
| C8 | C9 | H12 | 109.1° | 109.5° |
| C37 | O36 | H48 | 109.5° | 114.0° |
| O36 | C37 | H49 | 111.1° | 109.5° |
| C22 | C24 | C26 | 118.2° | 117.5° |
| C22 | C24 | C25 | 116.3° | 117.4° |
| C24 | C22 | H29 | 116.1° | 119.5° |
| C26 | C24 | C25 | 114.9° | 115.5° |
| C24 | C26 | H34 | 109.5° | 109.5° |
| C24 | C26 | H35 | 109.5° | 109.5° |
| C24 | C26 | H36 | 109.5° | 109.4° |
| C24 | C25 | H31 | 109.5° | 109.5° |
| C24 | C25 | H32 | 109.5° | 109.5° |
| C24 | C25 | H33 | 109.4° | 109.5° |
| H2 | C5 | H3 | 109.4° | 109.5° |
| H2 | C5 | H4 | 109.5° | 109.5° |
| H3 | C5 | H4 | 109.5° | 109.5° |
| H5 | C6 | H6 | 109.5° | 109.5° |
| H7 | C7 | H8 | 109.5° | 109.5° |
| H9 | C8 | H10 | 109.5° | 109.5° |
| H11 | C9 | H12 | 109.5° | 109.4° |
| H13 | C10 | H14 | 109.5° | 109.5° |
| H17 | C14 | H18 | 109.4° | 109.6° |
| H17 | C14 | H19 | 109.4° | 109.5° |
| H18 | C14 | H19 | 109.5° | 109.5° |
| H20 | C15 | H21 | 109.5° | 109.4° |
| H20 | C15 | H22 | 109.5° | 109.4° |
| H21 | C15 | H22 | 109.5° | 109.5° |
| H23 | C16 | H24 | 109.5° | 109.5° |
| H23 | C16 | H25 | 109.5° | 109.5° |
| H24 | C16 | H25 | 109.5° | 109.4° |
| H26 | C20 | H27 | 109.5° | 110.5° |
| H31 | C25 | H32 | 109.4° | 109.5° |
| H31 | C25 | H33 | 109.5° | 109.5° |
| H32 | C25 | H33 | 109.5° | 109.4° |
| H34 | C26 | H35 | 109.4° | 109.5° |
| H34 | C26 | H36 | 109.5° | 109.5° |
| H35 | C26 | H36 | 109.5° | 109.5° |
| H39 | C31 | H40 | 109.5° | 109.5° |
| H42 | C33 | H43 | 109.5° | 112.8° |
| H44 | C34 | H45 | 109.4° | 112.9° |
| H46 | C35 | H47 | 109.5° | 113.0° |
| H50 | N39 | H51 | 119.9° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C13 | C16 | C14 | 117.8° | 119.9° |
| C15 | C13 | C16 | C12 | 120.4° | 120.0° |
| C15 | C13 | C14 | C12 | 116.9° | 120.0° |
| C15 | C13 | C12 | N11 | 65.9° | 178.0° |
| C15 | C13 | C12 | C17 | 172.6° | 62.0° |
| C15 | C13 | C12 | H16 | 53.8° | 58.0° |
| C15 | C13 | C14 | H17 | 180.0° | 60.0° |
| C15 | C13 | C14 | H18 | 60.0° | 60.0° |
| C15 | C13 | C14 | H19 | 60.0° | 180.0° |
| C13 | C15 | H20 | H21 | 120.0° | 120.0° |
| C13 | C15 | H20 | H22 | 120.0° | 120.0° |
| C13 | C15 | H21 | H22 | 120.0° | 120.0° |
| C15 | C13 | C16 | H23 | 180.0° | 60.0° |
| C15 | C13 | C16 | H24 | 60.0° | 60.1° |
| C15 | C13 | C16 | H25 | 60.0° | 180.0° |
| C16 | C13 | C14 | C12 | 126.7° | 120.1° |
| C16 | C13 | C12 | N11 | 54.4° | 58.0° |
| C16 | C13 | C12 | C17 | 67.1° | 178.0° |
| C16 | C13 | C12 | H16 | 174.1° | 62.0° |
| C16 | C13 | C14 | H17 | 63.7° | 180.0° |
| C16 | C13 | C14 | H18 | 176.4° | 59.9° |
| C16 | C13 | C14 | H19 | 56.3° | 60.0° |
| C16 | C13 | C15 | H20 | 180.0° | 177.7° |
| C16 | C13 | C15 | H21 | 60.0° | 57.7° |
| C16 | C13 | C15 | H22 | 60.0° | 62.3° |
| C13 | C16 | H23 | H24 | 120.0° | 120.0° |
| C13 | C16 | H23 | H25 | 120.0° | 120.0° |
| C13 | C16 | H24 | H25 | 120.0° | 120.0° |
| C33 | C35 | C34 | H46 | 116.5° | 114.6° |
| C33 | C35 | C34 | H47 | 116.5° | 114.5° |
| C35 | C33 | C32 | H42 | 116.5° | 114.6° |
| C35 | C33 | C32 | H43 | 116.4° | 114.6° |
| C33 | C35 | C34 | C32 | 11.0° | 25.4° |
| C35 | C33 | C32 | C31 | 130.1° | 140.0° |
| C35 | C33 | C32 | H41 | 100.7° | 89.1° |
| C35 | C33 | H42 | H43 | 129.5° | 131.3° |
| C33 | C35 | C34 | H44 | 105.6° | 139.8° |
| C33 | C35 | C34 | H45 | 127.6° | 89.1° |
| C33 | C35 | H46 | H47 | 129.4° | 131.3° |
| C35 | C34 | C32 | H44 | 116.6° | 114.6° |
| C35 | C34 | C32 | H45 | 116.6° | 114.6° |
| C35 | C34 | C32 | C31 | 133.0° | 140.0° |
| C35 | C34 | C32 | H41 | 100.4° | 89.2° |
| C34 | C35 | C33 | H42 | 127.4° | 89.2° |
| C34 | C35 | C33 | H43 | 105.5° | 139.9° |
| C35 | C34 | H44 | H45 | 129.2° | 131.4° |
| C34 | C35 | H46 | H47 | 129.4° | 131.2° |
| C14 | C13 | C12 | N11 | 175.9° | 62.1° |
| C14 | C13 | C12 | C17 | 54.3° | 57.9° |
| C14 | C13 | C12 | H16 | 64.4° | 178.0° |
| C13 | C14 | H17 | H18 | 120.0° | 120.0° |
| C13 | C14 | H17 | H19 | 120.0° | 119.9° |
| C13 | C14 | H18 | H19 | 120.0° | 119.9° |
| C14 | C13 | C15 | H20 | 63.4° | 62.3° |
| C14 | C13 | C15 | H21 | 176.5° | 177.7° |
| C14 | C13 | C15 | H22 | 56.6° | 57.7° |
| C14 | C13 | C16 | H23 | 62.2° | 60.0° |
| C14 | C13 | C16 | H24 | 57.8° | 180.0° |
| C14 | C13 | C16 | H25 | 177.8° | 60.1° |
| C13 | C12 | N11 | C17 | 123.3° | 120.0° |
| C13 | C12 | N11 | H16 | 119.0° | 120.0° |
| C13 | C12 | N11 | C1 | 142.7° | 85.0° |
| C13 | C12 | C17 | H16 | 118.5° | 120.0° |
| C13 | C12 | C17 | O18 | 64.5° | 89.0° |
| C13 | C12 | C17 | N19 | 121.2° | 91.0° |
| C13 | C12 | N11 | H15 | 37.3° | 95.0° |
| C12 | C13 | C14 | H17 | 63.1° | 59.9° |
| C12 | C13 | C14 | H18 | 56.9° | 180.0° |
| C12 | C13 | C14 | H19 | 176.9° | 60.0° |
| C12 | C13 | C15 | H20 | 54.0° | 57.7° |
| C12 | C13 | C15 | H21 | 66.0° | 62.3° |
| C12 | C13 | C15 | H22 | 174.0° | 177.7° |
| C12 | C13 | C16 | H23 | 59.6° | 180.0° |
| C12 | C13 | C16 | H24 | 179.6° | 59.9° |
| C12 | C13 | C16 | H25 | 60.4° | 60.0° |
| C33 | C32 | C34 | C31 | 122.1° | 114.6° |
| C33 | C32 | C34 | H41 | 111.3° | 114.5° |
| C33 | C32 | C31 | H41 | 129.2° | 131.2° |
| C33 | C32 | C31 | C30 | 74.1° | 176.5° |
| C33 | C32 | C31 | H39 | 46.9° | 63.4° |
| C33 | C32 | C31 | H40 | 164.9° | 56.6° |
| C32 | C33 | H42 | H43 | 129.6° | 131.2° |
| C33 | C32 | C34 | H44 | 105.7° | 139.9° |
| C33 | C32 | C34 | H45 | 127.5° | 89.3° |
| C32 | C33 | C35 | H46 | 127.4° | 140.0° |
| C32 | C33 | C35 | H47 | 105.6° | 89.1° |
| C34 | C32 | C31 | H41 | 126.7° | 131.2° |
| C34 | C32 | C31 | C30 | 178.2° | 85.9° |
| C34 | C32 | C31 | H39 | 57.2° | 34.2° |
| C34 | C32 | C31 | H40 | 60.8° | 154.2° |
| C34 | C32 | C33 | H42 | 127.4° | 89.2° |
| C34 | C32 | C33 | H43 | 105.5° | 140.0° |
| C32 | C34 | H44 | H45 | 129.2° | 131.2° |
| C32 | C34 | C35 | H46 | 127.5° | 139.9° |
| C32 | C34 | C35 | H47 | 105.4° | 89.2° |
| C12 | N11 | C1 | H15 | 180.0° | 180.0° |
| N11 | C12 | C17 | H16 | 118.3° | 120.0° |
| C12 | N11 | C1 | N3 | 170.0° | 179.9° |
| C12 | N11 | C1 | O2 | 10.4° | 0.3° |
| N11 | C12 | C17 | O18 | 58.8° | 30.9° |
| N11 | C12 | C17 | N19 | 115.6° | 149.1° |
| C1 | N11 | C12 | C17 | 94.0° | 155.0° |
| N11 | C1 | N3 | O2 | 179.6° | 179.7° |
| N11 | C1 | N3 | C4 | 178.6° | 179.7° |
| N11 | C1 | N3 | H1 | 1.4° | 0.3° |
| C1 | N11 | C12 | H16 | 23.7° | 35.0° |
| C12 | C17 | O18 | N19 | 174.1° | 180.0° |
| C12 | C17 | N19 | C20 | 3.5° | 4.9° |
| C12 | C17 | N19 | C21 | 179.7° | 174.8° |
| C17 | C12 | N11 | H15 | 86.0° | 25.0° |
| C5 | C4 | N3 | C1 | 70.1° | 59.9° |
| C5 | C4 | N3 | C6 | 116.9° | 120.0° |
| C5 | C4 | N3 | C10 | 118.5° | 120.0° |
| C5 | C4 | C6 | C10 | 114.8° | 120.0° |
| C5 | C4 | C6 | C7 | 172.2° | 180.0° |
| C5 | C4 | C10 | C9 | 171.0° | 180.0° |
| C5 | C4 | N3 | H1 | 109.9° | 120.0° |
| C4 | C5 | H2 | H3 | 120.0° | 120.0° |
| C4 | C5 | H2 | H4 | 120.0° | 120.0° |
| C4 | C5 | H3 | H4 | 120.0° | 120.0° |
| C5 | C4 | C6 | H5 | 67.7° | 60.0° |
| C5 | C4 | C6 | H6 | 52.0° | 60.0° |
| C5 | C4 | C10 | H13 | 50.8° | 60.0° |
| C5 | C4 | C10 | H14 | 68.8° | 60.1° |
| C1 | N3 | C4 | H1 | 180.0° | 179.9° |
| C1 | N3 | C4 | C6 | 173.0° | 180.0° |
| C1 | N3 | C4 | C10 | 48.3° | 60.1° |
| N3 | C1 | N11 | H15 | 10.0° | 0.1° |
| O2 | C1 | N3 | C4 | 1.0° | 0.1° |
| O2 | C1 | N3 | H1 | 179.0° | 180.0° |
| O2 | C1 | N11 | H15 | 169.7° | 179.8° |
| N3 | C4 | C6 | C10 | 127.7° | 120.0° |
| N3 | C4 | C6 | C7 | 70.4° | 59.9° |
| N3 | C4 | C10 | C9 | 69.3° | 59.9° |
| N3 | C4 | C5 | H2 | 180.0° | 60.0° |
| N3 | C4 | C5 | H3 | 60.0° | 180.0° |
| N3 | C4 | C5 | H4 | 60.0° | 60.0° |
| N3 | C4 | C6 | H5 | 49.8° | 60.0° |
| N3 | C4 | C6 | H6 | 169.5° | 179.9° |
| N3 | C4 | C10 | H13 | 170.4° | 180.0° |
| N3 | C4 | C10 | H14 | 50.9° | 60.0° |
| C32 | C31 | C30 | H39 | 121.0° | 120.1° |
| C32 | C31 | C30 | H40 | 121.0° | 119.9° |
| C32 | C31 | C30 | N29 | 63.8° | 66.0° |
| C32 | C31 | C30 | C37 | 169.2° | 174.0° |
| C32 | C31 | C30 | H38 | 53.0° | 53.9° |
| C32 | C31 | H39 | H40 | 116.9° | 120.0° |
| C31 | C32 | C33 | H42 | 113.4° | 25.4° |
| C31 | C32 | C33 | H43 | 13.7° | 105.4° |
| C31 | C32 | C34 | H44 | 16.4° | 105.5° |
| C31 | C32 | C34 | H45 | 110.5° | 25.4° |
| C4 | C6 | C7 | H5 | 120.2° | 120.0° |
| C4 | C6 | C7 | H6 | 120.2° | 120.0° |
| C4 | C6 | C7 | C8 | 59.1° | 60.0° |
| C6 | C4 | C10 | C9 | 55.4° | 60.0° |
| C6 | C4 | N3 | H1 | 7.0° | 0.0° |
| C6 | C4 | C5 | H2 | 61.4° | 180.0° |
| C6 | C4 | C5 | H3 | 58.6° | 60.0° |
| C6 | C4 | C5 | H4 | 178.6° | 60.0° |
| C4 | C6 | H5 | H6 | 119.5° | 120.0° |
| C4 | C6 | C7 | H7 | 60.9° | 60.0° |
| C4 | C6 | C7 | H8 | 179.2° | 180.0° |
| C6 | C4 | C10 | H13 | 64.8° | 60.0° |
| C6 | C4 | C10 | H14 | 175.7° | 180.0° |
| C10 | C4 | C6 | C7 | 57.3° | 60.0° |
| C4 | C10 | C9 | H13 | 120.3° | 120.0° |
| C4 | C10 | C9 | H14 | 120.3° | 119.9° |
| C4 | C10 | C9 | C8 | 55.4° | 60.0° |
| C10 | C4 | N3 | H1 | 131.7° | 120.0° |
| C10 | C4 | C5 | H2 | 55.9° | 60.0° |
| C10 | C4 | C5 | H3 | 175.9° | 60.0° |
| C10 | C4 | C5 | H4 | 64.1° | 180.0° |
| C10 | C4 | C6 | H5 | 177.5° | 180.0° |
| C10 | C4 | C6 | H6 | 62.8° | 59.9° |
| C4 | C10 | C9 | H11 | 175.7° | 60.0° |
| C4 | C10 | C9 | H12 | 64.8° | 180.0° |
| C4 | C10 | H13 | H14 | 119.3° | 120.0° |
| O18 | C17 | N19 | C20 | 170.7° | 175.1° |
| O18 | C17 | N19 | C21 | 6.1° | 5.3° |
| O18 | C17 | C12 | H16 | 177.0° | 150.9° |
| C17 | N19 | C20 | C21 | 177.0° | 179.7° |
| C17 | N19 | C20 | C23 | 178.3° | 140.4° |
| C17 | N19 | C21 | C27 | 64.6° | 100.8° |
| C17 | N19 | C21 | C22 | 172.2° | 140.4° |
| N19 | C17 | C12 | H16 | 2.7° | 29.0° |
| C17 | N19 | C20 | H26 | 62.9° | 21.7° |
| C17 | N19 | C20 | H27 | 59.4° | 100.8° |
| C17 | N19 | C21 | H28 | 53.6° | 21.6° |
| C6 | C7 | C8 | H7 | 120.1° | 120.1° |
| C6 | C7 | C8 | H8 | 120.1° | 120.0° |
| C6 | C7 | C8 | C9 | 58.7° | 60.0° |
| C7 | C6 | H5 | H6 | 119.5° | 120.0° |
| C6 | C7 | H7 | H8 | 119.7° | 120.0° |
| C6 | C7 | C8 | H9 | 179.0° | 180.0° |
| C6 | C7 | C8 | H10 | 61.5° | 60.0° |
| C31 | C30 | N29 | C37 | 125.0° | 120.0° |
| C31 | C30 | N29 | H38 | 116.3° | 120.0° |
| C31 | C30 | C37 | H38 | 116.3° | 120.1° |
| C31 | C30 | N29 | C27 | 123.0° | 155.0° |
| C31 | C30 | C37 | C40 | 71.7° | 177.6° |
| C31 | C30 | C37 | O36 | 168.9° | 62.4° |
| C31 | C30 | N29 | H37 | 57.0° | 25.0° |
| C30 | C31 | H39 | H40 | 116.8° | 120.0° |
| C30 | C31 | C32 | H41 | 55.1° | 45.3° |
| C31 | C30 | C37 | H49 | 47.2° | 57.6° |
| N19 | C20 | C23 | H26 | 118.8° | 118.7° |
| N19 | C20 | C23 | H27 | 118.8° | 118.8° |
| C20 | N19 | C21 | C27 | 118.1° | 78.9° |
| C20 | N19 | C21 | C22 | 5.1° | 39.9° |
| N19 | C20 | C23 | C22 | 13.1° | 24.1° |
| N19 | C20 | C23 | C24 | 77.9° | 39.0° |
| N19 | C20 | H26 | H27 | 123.2° | 122.4° |
| C20 | N19 | C21 | H28 | 123.7° | 158.7° |
| N19 | C20 | C23 | H30 | 133.1° | 163.0° |
| C21 | N19 | C20 | C23 | 4.8° | 39.9° |
| N19 | C21 | C27 | O28 | 54.5° | 18.5° |
| N19 | C21 | C27 | N29 | 124.0° | 161.4° |
| N19 | C21 | C27 | C22 | 119.4° | 115.2° |
| N19 | C21 | C27 | H28 | 118.6° | 122.4° |
| N19 | C21 | C22 | H28 | 118.7° | 118.8° |
| N19 | C21 | C22 | C23 | 12.7° | 24.0° |
| N19 | C21 | C22 | C24 | 53.3° | 39.5° |
| C21 | N19 | C20 | H26 | 114.1° | 158.6° |
| C21 | N19 | C20 | H27 | 123.6° | 78.9° |
| N19 | C21 | C22 | H29 | 142.8° | 165.0° |
| C20 | C23 | C22 | C21 | 16.3° | 0.1° |
| C20 | C23 | C22 | C24 | 106.3° | 114.3° |
| C20 | C23 | C22 | H30 | 146.0° | 136.7° |
| C20 | C23 | C24 | H30 | 149.4° | 157.4° |
| C20 | C23 | C24 | C26 | 5.4° | 16.5° |
| C20 | C23 | C24 | C25 | 153.2° | 161.1° |
| C23 | C20 | H26 | H27 | 123.3° | 122.4° |
| C20 | C23 | C22 | H29 | 146.7° | 138.2° |
| O28 | C27 | N29 | C30 | 0.0° | 0.1° |
| O28 | C27 | N29 | C21 | 178.4° | 179.9° |
| O28 | C27 | C21 | C22 | 64.9° | 96.7° |
| O28 | C27 | C21 | H28 | 173.1° | 140.9° |
| O28 | C27 | N29 | H37 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 56.9° | 60.0° |
| C7 | C8 | C9 | H9 | 120.2° | 120.0° |
| C7 | C8 | C9 | H10 | 120.2° | 120.0° |
| C8 | C7 | C6 | H5 | 179.3° | 180.0° |
| C8 | C7 | C6 | H6 | 61.0° | 59.9° |
| C8 | C7 | H7 | H8 | 119.7° | 119.9° |
| C7 | C8 | H9 | H10 | 119.3° | 120.0° |
| C7 | C8 | C9 | H11 | 177.2° | 60.0° |
| C7 | C8 | C9 | H12 | 63.3° | 180.0° |
| C10 | C9 | C8 | H11 | 120.2° | 120.0° |
| C10 | C9 | C8 | H12 | 120.2° | 120.0° |
| C10 | C9 | C8 | H9 | 177.2° | 180.0° |
| C10 | C9 | C8 | H10 | 63.3° | 60.0° |
| C10 | C9 | H11 | H12 | 119.3° | 120.0° |
| C9 | C10 | H13 | H14 | 119.2° | 120.0° |
| N29 | C30 | C37 | H38 | 119.4° | 119.9° |
| C30 | N29 | C27 | H37 | 180.0° | 179.9° |
| C30 | N29 | C27 | C21 | 178.4° | 180.0° |
| N29 | C30 | C37 | C40 | 164.0° | 62.4° |
| N29 | C30 | C37 | O36 | 44.6° | 57.6° |
| N29 | C30 | C31 | H39 | 175.1° | 54.0° |
| N29 | C30 | C31 | H40 | 57.2° | 174.0° |
| N29 | C30 | C37 | H49 | 77.1° | 177.6° |
| C37 | C30 | N29 | C27 | 112.0° | 84.9° |
| C30 | C37 | C40 | N39 | 84.9° | 68.0° |
| C30 | C37 | C40 | O38 | 94.7° | 112.0° |
| C30 | C37 | C40 | O36 | 118.0° | 120.0° |
| C30 | C37 | C40 | H49 | 118.8° | 120.0° |
| C30 | C37 | O36 | H49 | 120.9° | 120.0° |
| C37 | C30 | N29 | H37 | 68.0° | 95.0° |
| C37 | C30 | C31 | H39 | 48.2° | 66.0° |
| C37 | C30 | C31 | H40 | 69.8° | 54.1° |
| C30 | C37 | O36 | H48 | 180.0° | 60.0° |
| N29 | C27 | C21 | C22 | 116.6° | 83.4° |
| N29 | C27 | C21 | H28 | 5.4° | 39.0° |
| C27 | N29 | C30 | H38 | 6.7° | 35.0° |
| C27 | C21 | C22 | H28 | 121.7° | 122.4° |
| C27 | C21 | C22 | C23 | 107.0° | 94.8° |
| C27 | C21 | C22 | C24 | 172.9° | 158.2° |
| C27 | C21 | C22 | H29 | 23.1° | 46.2° |
| C21 | C27 | N29 | H37 | 1.6° | 0.1° |
| N39 | C40 | O38 | C37 | 179.6° | 180.0° |
| N39 | C40 | C37 | O36 | 33.0° | 172.0° |
| N39 | C40 | C37 | H49 | 156.2° | 52.0° |
| C40 | N39 | H50 | H51 | 180.0° | 179.9° |
| O38 | C40 | C37 | O36 | 147.4° | 8.0° |
| O38 | C40 | C37 | H49 | 24.2° | 128.0° |
| O38 | C40 | N39 | H50 | 0.0° | 5.0° |
| O38 | C40 | N39 | H51 | 180.0° | 174.9° |
| C21 | C22 | C23 | C24 | 122.6° | 114.2° |
| C21 | C22 | C23 | H29 | 130.3° | 138.3° |
| C21 | C22 | C24 | H29 | 164.0° | 155.1° |
| C21 | C22 | C24 | C26 | 21.3° | 16.1° |
| C21 | C22 | C24 | C25 | 164.3° | 160.8° |
| C21 | C22 | C23 | H30 | 129.7° | 136.8° |
| C40 | C37 | O36 | H49 | 122.4° | 120.0° |
| C40 | C37 | C30 | H38 | 44.7° | 57.5° |
| C40 | C37 | O36 | H48 | 63.3° | 180.0° |
| C37 | C40 | N39 | H50 | 179.6° | 175.0° |
| C37 | C40 | N39 | H51 | 0.4° | 5.1° |
| C22 | C23 | C24 | H30 | 109.5° | 111.3° |
| C23 | C22 | C24 | H29 | 107.4° | 113.5° |
| C23 | C22 | C24 | C26 | 110.0° | 107.6° |
| C22 | C23 | C24 | C25 | 105.7° | 107.6° |
| C22 | C23 | C20 | H26 | 105.8° | 142.8° |
| C22 | C23 | C20 | H27 | 131.9° | 94.8° |
| C23 | C22 | C21 | H28 | 131.4° | 142.8° |
| C23 | C24 | C26 | C25 | 148.4° | 145.3° |
| C24 | C23 | C20 | H26 | 41.0° | 79.8° |
| C24 | C23 | C20 | H27 | 163.3° | 157.8° |
| C23 | C24 | C25 | H31 | 180.0° | 129.4° |
| C23 | C24 | C25 | H32 | 60.0° | 110.6° |
| C23 | C24 | C25 | H33 | 60.0° | 9.3° |
| C23 | C24 | C26 | H34 | 180.0° | 9.3° |
| C23 | C24 | C26 | H35 | 60.0° | 110.7° |
| C23 | C24 | C26 | H36 | 60.0° | 129.3° |
| C9 | C8 | C7 | H7 | 61.4° | 60.0° |
| C9 | C8 | C7 | H8 | 178.8° | 180.0° |
| C9 | C8 | H9 | H10 | 119.3° | 120.0° |
| C8 | C9 | H11 | H12 | 119.3° | 120.0° |
| C8 | C9 | C10 | H13 | 64.8° | 60.0° |
| C8 | C9 | C10 | H14 | 175.7° | 180.0° |
| O36 | C37 | C30 | H38 | 74.8° | 177.5° |
| C22 | C24 | C26 | C25 | 143.5° | 145.3° |
| C24 | C22 | C21 | H28 | 65.4° | 79.4° |
| C22 | C24 | C25 | H31 | 113.6° | 60.0° |
| C22 | C24 | C25 | H32 | 126.4° | 180.0° |
| C22 | C24 | C25 | H33 | 6.4° | 60.0° |
| C22 | C24 | C26 | H34 | 111.9° | 60.0° |
| C22 | C24 | C26 | H35 | 8.1° | 179.9° |
| C22 | C24 | C26 | H36 | 128.1° | 60.0° |
| C26 | C24 | C22 | H29 | 142.7° | 139.0° |
| C26 | C24 | C23 | H30 | 144.0° | 141.0° |
| C26 | C24 | C25 | H31 | 30.5° | 85.4° |
| C26 | C24 | C25 | H32 | 89.4° | 34.6° |
| C26 | C24 | C25 | H33 | 150.6° | 154.6° |
| C24 | C26 | H34 | H35 | 120.0° | 120.0° |
| C24 | C26 | H34 | H36 | 120.0° | 119.9° |
| C24 | C26 | H35 | H36 | 120.0° | 120.0° |
| C25 | C24 | C22 | H29 | 0.3° | 5.7° |
| C25 | C24 | C23 | H30 | 3.8° | 3.6° |
| C24 | C25 | H31 | H32 | 120.0° | 120.0° |
| C24 | C25 | H31 | H33 | 120.0° | 120.1° |
| C24 | C25 | H32 | H33 | 120.0° | 120.0° |
| C25 | C24 | C26 | H34 | 31.6° | 154.6° |
| C25 | C24 | C26 | H35 | 151.6° | 34.6° |
| C25 | C24 | C26 | H36 | 88.4° | 85.4° |
| H2 | C5 | H3 | H4 | 120.0° | 120.1° |
| H5 | C6 | C7 | H7 | 59.2° | 60.0° |
| H5 | C6 | C7 | H8 | 60.6° | 60.0° |
| H6 | C6 | C7 | H7 | 178.9° | 180.0° |
| H6 | C6 | C7 | H8 | 59.1° | 60.0° |
| H7 | C7 | C8 | H9 | 58.8° | 59.9° |
| H7 | C7 | C8 | H10 | 178.4° | 179.9° |
| H8 | C7 | C8 | H9 | 61.0° | 60.0° |
| H8 | C7 | C8 | H10 | 58.6° | 60.0° |
| H9 | C8 | C9 | H11 | 62.6° | 60.0° |
| H9 | C8 | C9 | H12 | 56.9° | 60.0° |
| H10 | C8 | C9 | H11 | 56.9° | 180.0° |
| H10 | C8 | C9 | H12 | 176.5° | 60.0° |
| H11 | C9 | C10 | H13 | 55.4° | 180.0° |
| H11 | C9 | C10 | H14 | 64.1° | 60.0° |
| H12 | C9 | C10 | H13 | 175.0° | 60.0° |
| H12 | C9 | C10 | H14 | 55.5° | 60.0° |
| H15 | N11 | C12 | H16 | 156.3° | 145.1° |
| H17 | C14 | H18 | H19 | 119.9° | 120.1° |
| H20 | C15 | H21 | H22 | 120.0° | 119.9° |
| H23 | C16 | H24 | H25 | 120.0° | 120.0° |
| H26 | C20 | C23 | H30 | 108.1° | 78.3° |
| H27 | C20 | C23 | H30 | 14.2° | 44.1° |
| H28 | C21 | C22 | H29 | 98.5° | 76.2° |
| H29 | C22 | C23 | H30 | 0.6° | 1.5° |
| H31 | C25 | H32 | H33 | 120.0° | 120.0° |
| H34 | C26 | H35 | H36 | 120.0° | 120.1° |
| H37 | N29 | C30 | H38 | 173.3° | 145.0° |
| H38 | C30 | C31 | H39 | 68.0° | 174.0° |
| H38 | C30 | C31 | H40 | 174.1° | 66.0° |
| H38 | C30 | C37 | H49 | 163.5° | 62.5° |
| H39 | C31 | C32 | H41 | 176.1° | 165.3° |
| H40 | C31 | C32 | H41 | 65.9° | 74.7° |
| H41 | C32 | C33 | H42 | 15.8° | 156.3° |
| H41 | C32 | C33 | H43 | 142.9° | 25.5° |
| H41 | C32 | C34 | H44 | 143.0° | 25.4° |
| H41 | C32 | C34 | H45 | 16.1° | 156.2° |
| H42 | C33 | C35 | H46 | 116.2° | 25.4° |
| H42 | C33 | C35 | H47 | 10.9° | 156.4° |
| H43 | C33 | C35 | H46 | 11.0° | 105.5° |
| H43 | C33 | C35 | H47 | 138.0° | 25.5° |
| H44 | C34 | C35 | H46 | 10.9° | 105.6° |
| H44 | C34 | C35 | H47 | 138.0° | 25.3° |
| H45 | C34 | C35 | H46 | 115.9° | 25.4° |
| H45 | C34 | C35 | H47 | 11.2° | 156.3° |
| H48 | O36 | C37 | H49 | 59.1° | 60.0° |
