XLT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | N7 | sing | 1.47Å | 1.44Å | |
| C2 | C3 | sing | 1.50Å | 1.53Å | |
| C3 | C4 | sing | 1.59Å | 1.58Å | |
| C3 | C29 | sing | 1.51Å | 1.55Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | C27 | sing | 1.57Å | 1.53Å | |
| C5 | C6 | sing | 1.51Å | 1.54Å | |
| C6 | N7 | sing | 1.45Å | 1.48Å | |
| N7 | C8 | sing | 1.35Å | 1.36Å | |
| C8 | C9 | sing | 1.48Å | 1.50Å | |
| C8 | O26 | doub | 1.22Å | 1.22Å | |
| C9 | C10 | doub | 1.40Å | 1.42Å | Aromatic |
| C9 | C14 | sing | 1.40Å | 1.41Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | N12 | doub | 1.32Å | 1.36Å | Aromatic |
| C11 | C23 | sing | 1.51Å | 1.48Å | |
| N12 | C13 | sing | 1.32Å | 1.36Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.42Å | Aromatic |
| C13 | O15 | sing | 1.36Å | 1.35Å | |
| O15 | C16 | sing | 1.43Å | 1.45Å | |
| C16 | C17 | sing | 1.53Å | 1.55Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C17 | C22 | sing | 1.53Å | 1.53Å | |
| C18 | C19 | sing | 1.53Å | 1.55Å | |
| C19 | O20 | sing | 1.43Å | 1.44Å | |
| O20 | C21 | sing | 1.43Å | 1.43Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C23 | C25 | sing | 1.53Å | 1.53Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C27 | N28 | sing | 1.48Å | 1.48Å | |
| N28 | C29 | sing | 1.49Å | 1.45Å | |
| N28 | C30 | sing | 1.35Å | 1.39Å | |
| C30 | C31 | sing | 1.51Å | 1.52Å | |
| C30 | O39 | doub | 1.21Å | 1.25Å | |
| C31 | C32 | sing | 1.53Å | 1.53Å | |
| C32 | C33 | sing | 1.51Å | 1.48Å | |
| C33 | C34 | doub | 1.33Å | 1.36Å | |
| C33 | O37 | sing | 1.35Å | 1.40Å | |
| C34 | N35 | sing | 1.39Å | 1.41Å | |
| N35 | C36 | sing | 1.35Å | 1.42Å | |
| C36 | O37 | sing | 1.34Å | 1.37Å | |
| C36 | O38 | doub | 1.22Å | 1.20Å | |
| C10 | H50 | sing | 1.08Å | 1.08Å | |
| C16 | H53 | sing | 1.09Å | 1.10Å | |
| C16 | H52 | sing | 1.09Å | 1.10Å | |
| C17 | H54 | sing | 1.09Å | 1.10Å | |
| C18 | H56 | sing | 1.09Å | 1.10Å | |
| C18 | H55 | sing | 1.09Å | 1.10Å | |
| C19 | H57 | sing | 1.09Å | 1.10Å | |
| C19 | H58 | sing | 1.09Å | 1.10Å | |
| C21 | H60 | sing | 1.09Å | 1.10Å | |
| C21 | H59 | sing | 1.09Å | 1.10Å | |
| C22 | H62 | sing | 1.09Å | 1.10Å | |
| C22 | H61 | sing | 1.09Å | 1.10Å | |
| C23 | H63 | sing | 1.09Å | 1.10Å | |
| C24 | H64 | sing | 1.09Å | 1.10Å | |
| C24 | H65 | sing | 1.09Å | 1.10Å | |
| C25 | H67 | sing | 1.09Å | 1.10Å | |
| C25 | H66 | sing | 1.09Å | 1.10Å | |
| C27 | H69 | sing | 1.09Å | 1.10Å | |
| C27 | H68 | sing | 1.09Å | 1.10Å | |
| C1 | H43 | sing | 1.09Å | 1.10Å | |
| C1 | H42 | sing | 1.09Å | 1.10Å | |
| C2 | H44 | sing | 1.09Å | 1.10Å | |
| C2 | H45 | sing | 1.09Å | 1.10Å | |
| C3 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H40 | sing | 1.09Å | 1.10Å | |
| C5 | H47 | sing | 1.09Å | 1.10Å | |
| C5 | H46 | sing | 1.09Å | 1.10Å | |
| C6 | H48 | sing | 1.09Å | 1.10Å | |
| C6 | H49 | sing | 1.09Å | 1.10Å | |
| C14 | H51 | sing | 1.08Å | 1.08Å | |
| C29 | H71 | sing | 1.09Å | 1.10Å | |
| C29 | H70 | sing | 1.09Å | 1.10Å | |
| C31 | H72 | sing | 1.09Å | 1.10Å | |
| C31 | H73 | sing | 1.09Å | 1.10Å | |
| C32 | H75 | sing | 1.09Å | 1.10Å | |
| C32 | H74 | sing | 1.09Å | 1.10Å | |
| C34 | H76 | sing | 1.08Å | 1.08Å | |
| N35 | H77 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | N7 | 110.9° | 111.7° |
| C1 | C2 | C3 | 115.7° | 114.0° |
| C2 | C1 | H43 | 109.1° | 109.0° |
| C2 | C1 | H42 | 109.1° | 109.0° |
| C1 | C2 | H44 | 107.9° | 108.6° |
| C1 | C2 | H45 | 107.9° | 108.6° |
| C1 | N7 | C6 | 115.6° | 118.0° |
| C1 | N7 | C8 | 119.5° | 121.0° |
| N7 | C1 | H43 | 109.1° | 109.1° |
| N7 | C1 | H42 | 109.1° | 109.1° |
| C2 | C3 | C4 | 122.5° | 110.5° |
| C2 | C3 | C29 | 106.9° | 122.5° |
| C3 | C2 | H44 | 107.9° | 108.6° |
| C3 | C2 | H45 | 107.9° | 108.6° |
| C2 | C3 | H41 | 106.7° | 107.6° |
| C4 | C3 | C29 | 107.2° | 101.3° |
| C3 | C4 | C5 | 119.6° | 107.1° |
| C3 | C4 | C27 | 102.8° | 96.3° |
| C4 | C3 | H41 | 106.2° | 106.9° |
| C3 | C4 | H40 | 108.0° | 116.2° |
| C3 | C29 | N28 | 104.6° | 102.0° |
| C29 | C3 | H41 | 106.4° | 107.0° |
| C3 | C29 | H71 | 110.6° | 110.9° |
| C3 | C29 | H70 | 110.7° | 110.9° |
| C5 | C4 | C27 | 108.6° | 101.6° |
| C4 | C5 | C6 | 112.7° | 116.1° |
| C5 | C4 | H40 | 108.7° | 116.4° |
| C4 | C5 | H47 | 108.6° | 108.1° |
| C4 | C5 | H46 | 108.7° | 108.2° |
| C4 | C27 | N28 | 104.8° | 105.8° |
| C4 | C27 | H69 | 110.6° | 110.2° |
| C4 | C27 | H68 | 110.6° | 110.2° |
| C27 | C4 | H40 | 108.6° | 116.6° |
| C5 | C6 | N7 | 110.8° | 110.7° |
| C6 | C5 | H47 | 108.7° | 108.1° |
| C6 | C5 | H46 | 108.6° | 108.2° |
| C5 | C6 | H48 | 109.2° | 109.2° |
| C5 | C6 | H49 | 109.1° | 109.2° |
| C6 | N7 | C8 | 121.0° | 121.0° |
| N7 | C6 | H48 | 109.1° | 109.2° |
| N7 | C6 | H49 | 109.1° | 109.2° |
| N7 | C8 | C9 | 119.4° | 120.0° |
| N7 | C8 | O26 | 119.5° | 120.0° |
| C9 | C8 | O26 | 121.1° | 120.0° |
| C8 | C9 | C10 | 117.2° | 120.9° |
| C8 | C9 | C14 | 120.9° | 120.9° |
| C10 | C9 | C14 | 121.6° | 118.2° |
| C9 | C10 | C11 | 117.9° | 119.1° |
| C9 | C10 | H50 | 121.1° | 120.4° |
| C9 | C14 | C13 | 114.7° | 118.9° |
| C9 | C14 | H51 | 122.7° | 120.5° |
| C10 | C11 | N12 | 123.2° | 121.0° |
| C10 | C11 | C23 | 122.8° | 119.5° |
| C11 | C10 | H50 | 121.0° | 120.5° |
| N12 | C11 | C23 | 114.0° | 119.5° |
| C11 | N12 | C13 | 117.1° | 121.9° |
| C11 | C23 | C24 | 119.5° | 117.5° |
| C11 | C23 | C25 | 120.5° | 117.5° |
| C11 | C23 | H63 | 115.7° | 115.6° |
| N12 | C13 | C14 | 125.4° | 120.8° |
| N12 | C13 | O15 | 118.6° | 119.6° |
| C14 | C13 | O15 | 116.0° | 119.6° |
| C13 | C14 | H51 | 122.6° | 120.5° |
| C13 | O15 | C16 | 118.5° | 117.0° |
| O15 | C16 | C17 | 105.7° | 109.5° |
| O15 | C16 | H53 | 110.4° | 109.5° |
| O15 | C16 | H52 | 110.4° | 109.5° |
| C16 | C17 | C18 | 110.4° | 109.5° |
| C16 | C17 | C22 | 110.6° | 109.5° |
| C17 | C16 | H53 | 110.4° | 109.5° |
| C17 | C16 | H52 | 110.4° | 109.4° |
| C16 | C17 | H54 | 109.5° | 109.6° |
| C18 | C17 | C22 | 106.8° | 109.1° |
| C17 | C18 | C19 | 108.3° | 109.1° |
| C18 | C17 | H54 | 109.6° | 109.6° |
| C17 | C18 | H56 | 109.7° | 109.5° |
| C17 | C18 | H55 | 109.8° | 109.5° |
| C17 | C22 | C21 | 109.0° | 109.1° |
| C22 | C17 | H54 | 109.8° | 109.6° |
| C17 | C22 | H62 | 109.6° | 109.5° |
| C17 | C22 | H61 | 109.6° | 109.5° |
| C18 | C19 | O20 | 111.5° | 109.4° |
| C19 | C18 | H56 | 109.8° | 109.5° |
| C19 | C18 | H55 | 109.8° | 109.5° |
| C18 | C19 | H57 | 109.0° | 109.4° |
| C18 | C19 | H58 | 109.0° | 109.5° |
| C19 | O20 | C21 | 113.9° | 114.1° |
| O20 | C19 | H57 | 108.9° | 109.5° |
| O20 | C19 | H58 | 109.0° | 109.5° |
| O20 | C21 | C22 | 111.6° | 109.5° |
| O20 | C21 | H60 | 108.9° | 109.5° |
| O20 | C21 | H59 | 109.0° | 109.5° |
| C22 | C21 | H60 | 109.0° | 109.5° |
| C22 | C21 | H59 | 108.9° | 109.5° |
| C21 | C22 | H62 | 109.6° | 109.5° |
| C21 | C22 | H61 | 109.6° | 109.5° |
| C24 | C23 | C25 | 59.9° | 60.0° |
| C23 | C24 | C25 | 60.2° | 60.0° |
| C24 | C23 | H63 | 114.9° | 117.5° |
| C23 | C24 | H64 | 119.9° | 117.5° |
| C23 | C24 | H65 | 120.0° | 117.5° |
| C23 | C25 | C24 | 59.9° | 60.0° |
| C25 | C23 | H63 | 114.9° | 117.5° |
| C23 | C25 | H67 | 120.0° | 117.5° |
| C23 | C25 | H66 | 120.0° | 117.5° |
| C25 | C24 | H64 | 120.0° | 117.5° |
| C25 | C24 | H65 | 119.9° | 117.5° |
| C24 | C25 | H67 | 120.0° | 117.5° |
| C24 | C25 | H66 | 120.0° | 117.5° |
| C27 | N28 | C29 | 111.4° | 108.7° |
| C27 | N28 | C30 | 122.9° | 125.6° |
| N28 | C27 | H69 | 110.7° | 110.2° |
| N28 | C27 | H68 | 110.6° | 110.2° |
| C29 | N28 | C30 | 125.6° | 125.6° |
| N28 | C29 | H71 | 110.7° | 110.9° |
| N28 | C29 | H70 | 110.6° | 110.9° |
| N28 | C30 | C31 | 116.5° | 120.0° |
| N28 | C30 | O39 | 120.3° | 120.0° |
| C31 | C30 | O39 | 123.2° | 120.0° |
| C30 | C31 | C32 | 109.8° | 109.5° |
| C30 | C31 | H72 | 109.4° | 109.5° |
| C30 | C31 | H73 | 109.4° | 109.5° |
| C31 | C32 | C33 | 109.0° | 109.5° |
| C32 | C31 | H72 | 109.4° | 109.4° |
| C32 | C31 | H73 | 109.4° | 109.5° |
| C31 | C32 | H75 | 109.6° | 109.5° |
| C31 | C32 | H74 | 109.6° | 109.5° |
| C32 | C33 | C34 | 132.3° | 125.8° |
| C32 | C33 | O37 | 116.6° | 125.7° |
| C33 | C32 | H75 | 109.6° | 109.4° |
| C33 | C32 | H74 | 109.6° | 109.4° |
| C34 | C33 | O37 | 111.1° | 108.5° |
| C33 | C34 | N35 | 106.4° | 107.6° |
| C33 | C34 | H76 | 126.8° | 126.2° |
| C33 | O37 | C36 | 106.8° | 108.7° |
| C34 | N35 | C36 | 107.5° | 107.3° |
| N35 | C34 | H76 | 126.8° | 126.2° |
| C34 | N35 | H77 | 126.3° | 126.4° |
| N35 | C36 | O37 | 108.2° | 107.9° |
| N35 | C36 | O38 | 132.1° | 126.1° |
| C36 | N35 | H77 | 126.2° | 126.3° |
| O37 | C36 | O38 | 119.6° | 126.0° |
| H53 | C16 | H52 | 109.5° | 109.5° |
| H56 | C18 | H55 | 109.5° | 109.6° |
| H57 | C19 | H58 | 109.5° | 109.5° |
| H60 | C21 | H59 | 109.5° | 109.4° |
| H62 | C22 | H61 | 109.5° | 109.6° |
| H64 | C24 | H65 | 109.5° | 115.6° |
| H67 | C25 | H66 | 109.4° | 115.6° |
| H69 | C27 | H68 | 109.5° | 110.2° |
| H43 | C1 | H42 | 109.5° | 108.9° |
| H44 | C2 | H45 | 109.5° | 108.4° |
| H47 | C5 | H46 | 109.5° | 107.9° |
| H48 | C6 | H49 | 109.5° | 109.2° |
| H71 | C29 | H70 | 109.5° | 110.9° |
| H72 | C31 | H73 | 109.5° | 109.5° |
| H75 | C32 | H74 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | N7 | H43 | 120.2° | 120.6° |
| C2 | C1 | N7 | H42 | 120.2° | 120.6° |
| C1 | C2 | C3 | H44 | 120.9° | 121.2° |
| C1 | C2 | C3 | H45 | 120.9° | 121.2° |
| C1 | C2 | C3 | C4 | 9.1° | 95.0° |
| C1 | C2 | C3 | C29 | 114.9° | 24.1° |
| C2 | C1 | N7 | C6 | 98.9° | 39.8° |
| C2 | C1 | N7 | C8 | 103.2° | 140.2° |
| C2 | C1 | H43 | H42 | 119.4° | 118.9° |
| C1 | C2 | H44 | H45 | 117.2° | 117.8° |
| C1 | C2 | C3 | H41 | 131.5° | 148.6° |
| N7 | C1 | C2 | C3 | 63.3° | 43.5° |
| C1 | N7 | C6 | C5 | 27.7° | 91.7° |
| C1 | N7 | C6 | C8 | 157.5° | 179.9° |
| C1 | N7 | C8 | C9 | 20.2° | 6.2° |
| C1 | N7 | C8 | O26 | 161.6° | 173.8° |
| N7 | C1 | H43 | H42 | 119.4° | 118.9° |
| N7 | C1 | C2 | H44 | 175.8° | 164.7° |
| N7 | C1 | C2 | H45 | 57.6° | 77.7° |
| C1 | N7 | C6 | H48 | 92.5° | 148.0° |
| C1 | N7 | C6 | H49 | 147.9° | 28.6° |
| C2 | C3 | C4 | C29 | 123.9° | 131.3° |
| C2 | C3 | C4 | H41 | 122.6° | 116.8° |
| C2 | C3 | C29 | H41 | 113.7° | 124.8° |
| C2 | C3 | C4 | C5 | 20.3° | 75.9° |
| C2 | C3 | C4 | C27 | 140.7° | 179.9° |
| C2 | C3 | C29 | N28 | 132.2° | 169.2° |
| C3 | C2 | C1 | H43 | 176.5° | 164.1° |
| C3 | C2 | C1 | H42 | 57.0° | 77.1° |
| C3 | C2 | H44 | H45 | 117.1° | 117.7° |
| C2 | C3 | C4 | H40 | 104.6° | 56.0° |
| C2 | C3 | C29 | H71 | 12.9° | 51.0° |
| C2 | C3 | C29 | H70 | 108.6° | 72.7° |
| C4 | C3 | C29 | H41 | 113.3° | 111.7° |
| C3 | C4 | C5 | C27 | 117.4° | 100.4° |
| C3 | C4 | C5 | H40 | 124.6° | 131.9° |
| C3 | C4 | C27 | H40 | 114.3° | 123.5° |
| C3 | C4 | C5 | C6 | 74.2° | 59.2° |
| C3 | C4 | C27 | N28 | 27.9° | 34.6° |
| C4 | C3 | C29 | N28 | 0.8° | 45.7° |
| C3 | C4 | C27 | H69 | 91.4° | 84.5° |
| C3 | C4 | C27 | H68 | 147.2° | 153.7° |
| C4 | C3 | C2 | H44 | 130.0° | 143.8° |
| C4 | C3 | C2 | H45 | 111.8° | 26.2° |
| C3 | C4 | C5 | H47 | 46.3° | 62.5° |
| C3 | C4 | C5 | H46 | 165.3° | 179.1° |
| C4 | C3 | C29 | H71 | 120.1° | 72.4° |
| C4 | C3 | C29 | H70 | 118.4° | 163.9° |
| C29 | C3 | C4 | C5 | 103.6° | 55.4° |
| C29 | C3 | C4 | C27 | 16.8° | 48.8° |
| C3 | C29 | N28 | C27 | 19.8° | 23.5° |
| C3 | C29 | N28 | H71 | 119.2° | 118.2° |
| C3 | C29 | N28 | H70 | 119.2° | 118.1° |
| C3 | C29 | N28 | C30 | 161.7° | 156.4° |
| C29 | C3 | C2 | H44 | 6.0° | 97.1° |
| C29 | C3 | C2 | H45 | 124.2° | 145.3° |
| C29 | C3 | C4 | H40 | 131.5° | 172.7° |
| C3 | C29 | H71 | H70 | 122.2° | 123.7° |
| C5 | C4 | C27 | H40 | 118.0° | 127.6° |
| C4 | C5 | C6 | H47 | 120.5° | 121.7° |
| C4 | C5 | C6 | H46 | 120.5° | 121.8° |
| C4 | C5 | C6 | N7 | 59.5° | 77.9° |
| C5 | C4 | C27 | N28 | 99.8° | 74.3° |
| C5 | C4 | C27 | H69 | 141.0° | 166.6° |
| C5 | C4 | C27 | H68 | 19.5° | 44.8° |
| C5 | C4 | C3 | H41 | 142.9° | 167.2° |
| C4 | C5 | H47 | H46 | 118.5° | 116.8° |
| C4 | C5 | C6 | H48 | 179.7° | 161.7° |
| C4 | C5 | C6 | H49 | 60.7° | 42.3° |
| C27 | C4 | C5 | C6 | 168.3° | 159.5° |
| C4 | C27 | N28 | H69 | 119.3° | 119.1° |
| C4 | C27 | N28 | H68 | 119.2° | 119.1° |
| C4 | C27 | N28 | C29 | 31.2° | 8.4° |
| C4 | C27 | N28 | C30 | 150.2° | 171.7° |
| C4 | C27 | H69 | H68 | 122.2° | 121.8° |
| C27 | C4 | C3 | H41 | 96.7° | 63.0° |
| C27 | C4 | C5 | H47 | 71.2° | 37.9° |
| C27 | C4 | C5 | H46 | 47.9° | 78.7° |
| C5 | C6 | N7 | H48 | 120.2° | 120.3° |
| C5 | C6 | N7 | H49 | 120.2° | 120.3° |
| C5 | C6 | N7 | C8 | 174.8° | 88.2° |
| C6 | C5 | C4 | H40 | 50.4° | 72.7° |
| C6 | C5 | H47 | H46 | 118.5° | 116.8° |
| C5 | C6 | H48 | H49 | 119.4° | 119.4° |
| C6 | N7 | C8 | C9 | 176.9° | 173.8° |
| C6 | N7 | C8 | O26 | 4.9° | 6.1° |
| C6 | N7 | C1 | H43 | 140.9° | 80.8° |
| C6 | N7 | C1 | H42 | 21.3° | 160.4° |
| N7 | C6 | C5 | H47 | 61.0° | 43.7° |
| N7 | C6 | C5 | H46 | 180.0° | 160.3° |
| N7 | C6 | H48 | H49 | 119.4° | 119.4° |
| N7 | C8 | C9 | O26 | 178.2° | 179.9° |
| N7 | C8 | C9 | C10 | 69.0° | 149.5° |
| N7 | C8 | C9 | C14 | 117.7° | 30.4° |
| C8 | N7 | C1 | H43 | 17.0° | 99.3° |
| C8 | N7 | C1 | H42 | 136.6° | 19.6° |
| C8 | N7 | C6 | H48 | 65.0° | 32.1° |
| C8 | N7 | C6 | H49 | 54.6° | 151.5° |
| C8 | C9 | C10 | C14 | 173.2° | 179.9° |
| C8 | C9 | C10 | C11 | 170.3° | 180.0° |
| C8 | C9 | C14 | C13 | 170.1° | 179.4° |
| C8 | C9 | C10 | H50 | 9.7° | 0.4° |
| C8 | C9 | C14 | H51 | 9.9° | 0.2° |
| O26 | C8 | C9 | C10 | 109.1° | 30.6° |
| O26 | C8 | C9 | C14 | 64.1° | 149.5° |
| C9 | C10 | C11 | H50 | 180.0° | 179.6° |
| C9 | C10 | C11 | N12 | 0.7° | 0.3° |
| C9 | C10 | C11 | C23 | 177.8° | 179.7° |
| C10 | C9 | C14 | C13 | 2.9° | 0.5° |
| C10 | C9 | C14 | H51 | 177.2° | 179.7° |
| C14 | C9 | C10 | C11 | 3.0° | 0.0° |
| C9 | C14 | C13 | N12 | 0.7° | 0.8° |
| C9 | C14 | C13 | H51 | 180.0° | 179.2° |
| C9 | C14 | C13 | O15 | 179.3° | 180.0° |
| C14 | C9 | C10 | H50 | 177.0° | 179.7° |
| C10 | C11 | N12 | C23 | 178.7° | 180.0° |
| C10 | C11 | N12 | C13 | 1.4° | 0.0° |
| C10 | C11 | C23 | C24 | 151.0° | 85.0° |
| C10 | C11 | C23 | C25 | 138.6° | 16.4° |
| C10 | C11 | C23 | H63 | 7.0° | 129.4° |
| C11 | N12 | C13 | C14 | 1.4° | 0.6° |
| C11 | N12 | C13 | O15 | 177.2° | 179.8° |
| N12 | C11 | C23 | C24 | 30.3° | 95.0° |
| N12 | C11 | C23 | C25 | 40.1° | 163.6° |
| N12 | C11 | C10 | H50 | 179.3° | 180.0° |
| N12 | C11 | C23 | H63 | 174.3° | 50.6° |
| C23 | C11 | N12 | C13 | 179.9° | 180.0° |
| C11 | C23 | C24 | C25 | 110.3° | 107.5° |
| C11 | C23 | C24 | H63 | 144.3° | 145.0° |
| C11 | C23 | C25 | H63 | 145.9° | 145.1° |
| C23 | C11 | C10 | H50 | 2.2° | 0.0° |
| C11 | C23 | C24 | H64 | 140.2° | 145.0° |
| C11 | C23 | C24 | H65 | 0.8° | 0.0° |
| C11 | C23 | C25 | H67 | 0.9° | 0.1° |
| C11 | C23 | C25 | H66 | 142.0° | 145.0° |
| N12 | C13 | C14 | O15 | 178.7° | 179.2° |
| N12 | C13 | O15 | C16 | 1.9° | 0.8° |
| N12 | C13 | C14 | H51 | 179.4° | 180.0° |
| C14 | C13 | O15 | C16 | 179.4° | 180.0° |
| C13 | O15 | C16 | C17 | 179.2° | 180.0° |
| C13 | O15 | C16 | H53 | 61.4° | 60.0° |
| C13 | O15 | C16 | H52 | 59.9° | 60.0° |
| O15 | C13 | C14 | H51 | 0.7° | 0.8° |
| O15 | C16 | C17 | H53 | 119.4° | 120.0° |
| O15 | C16 | C17 | H52 | 119.4° | 120.0° |
| O15 | C16 | C17 | C18 | 174.7° | 175.0° |
| O15 | C16 | C17 | C22 | 67.3° | 65.5° |
| O15 | C16 | H53 | H52 | 121.8° | 120.0° |
| O15 | C16 | C17 | H54 | 53.8° | 54.8° |
| C16 | C17 | C18 | C22 | 120.3° | 119.8° |
| C16 | C17 | C18 | H54 | 120.8° | 120.2° |
| C16 | C17 | C22 | H54 | 121.0° | 120.2° |
| C16 | C17 | C18 | C19 | 179.4° | 176.8° |
| C16 | C17 | C22 | C21 | 179.0° | 176.8° |
| C17 | C16 | H53 | H52 | 121.8° | 120.0° |
| C16 | C17 | C18 | H56 | 59.6° | 63.3° |
| C16 | C17 | C18 | H55 | 60.7° | 56.9° |
| C16 | C17 | C22 | H62 | 61.0° | 56.9° |
| C16 | C17 | C22 | H61 | 59.1° | 63.3° |
| C18 | C17 | C22 | H54 | 118.8° | 120.0° |
| C17 | C18 | C19 | H56 | 119.8° | 119.9° |
| C17 | C18 | C19 | H55 | 119.8° | 119.9° |
| C17 | C18 | C19 | O20 | 57.6° | 57.6° |
| C18 | C17 | C22 | C21 | 60.8° | 57.0° |
| C18 | C17 | C16 | H53 | 55.3° | 65.0° |
| C18 | C17 | C16 | H52 | 66.0° | 55.0° |
| C17 | C18 | H56 | H55 | 120.5° | 120.2° |
| C17 | C18 | C19 | H57 | 62.7° | 62.4° |
| C17 | C18 | C19 | H58 | 177.9° | 177.6° |
| C18 | C17 | C22 | H62 | 59.2° | 62.9° |
| C18 | C17 | C22 | H61 | 179.3° | 176.9° |
| C22 | C17 | C18 | C19 | 60.3° | 57.0° |
| C17 | C22 | C21 | O20 | 58.3° | 57.6° |
| C17 | C22 | C21 | H62 | 119.9° | 119.9° |
| C17 | C22 | C21 | H61 | 119.9° | 119.9° |
| C22 | C17 | C16 | H53 | 173.3° | 54.5° |
| C22 | C17 | C16 | H52 | 52.0° | 174.6° |
| C22 | C17 | C18 | H56 | 179.9° | 176.9° |
| C22 | C17 | C18 | H55 | 59.5° | 62.9° |
| C17 | C22 | C21 | H60 | 62.0° | 177.6° |
| C17 | C22 | C21 | H59 | 178.6° | 62.4° |
| C17 | C22 | H62 | H61 | 120.2° | 120.2° |
| C18 | C19 | O20 | H57 | 120.3° | 119.9° |
| C18 | C19 | O20 | H58 | 120.3° | 120.0° |
| C18 | C19 | O20 | C21 | 55.4° | 61.1° |
| C19 | C18 | C17 | H54 | 58.6° | 63.0° |
| C19 | C18 | H56 | H55 | 120.5° | 120.2° |
| C18 | C19 | H57 | H58 | 119.1° | 120.0° |
| C19 | O20 | C21 | C22 | 55.5° | 61.2° |
| O20 | C19 | C18 | H56 | 177.4° | 177.5° |
| O20 | C19 | C18 | H55 | 62.2° | 62.3° |
| O20 | C19 | H57 | H58 | 119.1° | 120.1° |
| C19 | O20 | C21 | H60 | 64.8° | 178.8° |
| C19 | O20 | C21 | H59 | 175.8° | 58.9° |
| O20 | C21 | C22 | H60 | 120.3° | 120.0° |
| O20 | C21 | C22 | H59 | 120.3° | 120.1° |
| C21 | O20 | C19 | H57 | 64.9° | 58.8° |
| C21 | O20 | C19 | H58 | 175.7° | 178.9° |
| O20 | C21 | H60 | H59 | 119.1° | 120.0° |
| O20 | C21 | C22 | H62 | 61.6° | 62.3° |
| O20 | C21 | C22 | H61 | 178.2° | 177.5° |
| C21 | C22 | C17 | H54 | 58.0° | 62.9° |
| C22 | C21 | H60 | H59 | 119.0° | 120.0° |
| C21 | C22 | H62 | H61 | 120.2° | 120.1° |
| C24 | C23 | C25 | H63 | 105.6° | 107.4° |
| C23 | C24 | C25 | H64 | 109.5° | 107.5° |
| C23 | C24 | C25 | H65 | 109.5° | 107.5° |
| C23 | C24 | H64 | H65 | 144.6° | 145.7° |
| C24 | C23 | C25 | H67 | 109.5° | 107.5° |
| C24 | C23 | C25 | H66 | 109.5° | 107.5° |
| C23 | C25 | H67 | H66 | 144.8° | 145.6° |
| C25 | C24 | H64 | H65 | 144.6° | 145.7° |
| C24 | C25 | H67 | H66 | 144.8° | 145.7° |
| C27 | N28 | C29 | C30 | 178.5° | 179.9° |
| C27 | N28 | C30 | C31 | 179.8° | 180.0° |
| C27 | N28 | C30 | O39 | 1.5° | 0.0° |
| N28 | C27 | H69 | H68 | 122.2° | 121.8° |
| N28 | C27 | C4 | H40 | 142.2° | 158.1° |
| C27 | N28 | C29 | H71 | 139.0° | 94.7° |
| C27 | N28 | C29 | H70 | 99.4° | 141.7° |
| C29 | N28 | C30 | C31 | 1.9° | 0.0° |
| C29 | N28 | C30 | O39 | 176.8° | 180.0° |
| C29 | N28 | C27 | H69 | 88.0° | 110.7° |
| C29 | N28 | C27 | H68 | 150.5° | 127.5° |
| N28 | C29 | C3 | H41 | 114.1° | 66.0° |
| N28 | C29 | H71 | H70 | 122.2° | 123.7° |
| N28 | C30 | C31 | O39 | 178.7° | 180.0° |
| N28 | C30 | C31 | C32 | 157.7° | 180.0° |
| C30 | N28 | C27 | H69 | 90.5° | 69.3° |
| C30 | N28 | C27 | H68 | 31.0° | 52.6° |
| C30 | N28 | C29 | H71 | 42.5° | 85.4° |
| C30 | N28 | C29 | H70 | 79.0° | 38.2° |
| N28 | C30 | C31 | H72 | 82.3° | 60.0° |
| N28 | C30 | C31 | H73 | 37.6° | 60.0° |
| C30 | C31 | C32 | H72 | 120.0° | 120.0° |
| C30 | C31 | C32 | H73 | 120.0° | 120.0° |
| C30 | C31 | C32 | C33 | 165.6° | 180.0° |
| C30 | C31 | H72 | H73 | 119.8° | 120.0° |
| C30 | C31 | C32 | H75 | 74.5° | 60.0° |
| C30 | C31 | C32 | H74 | 45.7° | 60.0° |
| O39 | C30 | C31 | C32 | 21.0° | 0.0° |
| O39 | C30 | C31 | H72 | 99.0° | 120.0° |
| O39 | C30 | C31 | H73 | 141.1° | 120.0° |
| C31 | C32 | C33 | H75 | 119.9° | 120.0° |
| C31 | C32 | C33 | H74 | 119.9° | 120.0° |
| C31 | C32 | C33 | C34 | 131.0° | 95.0° |
| C31 | C32 | C33 | O37 | 48.8° | 85.3° |
| C32 | C31 | H72 | H73 | 119.9° | 120.0° |
| C31 | C32 | H75 | H74 | 120.2° | 120.1° |
| C32 | C33 | C34 | O37 | 179.8° | 179.8° |
| C32 | C33 | C34 | N35 | 179.8° | 180.0° |
| C32 | C33 | O37 | C36 | 179.7° | 179.8° |
| C33 | C32 | C31 | H72 | 45.6° | 60.0° |
| C33 | C32 | C31 | H73 | 74.3° | 60.0° |
| C33 | C32 | H75 | H74 | 120.2° | 119.9° |
| C32 | C33 | C34 | H76 | 0.2° | 0.0° |
| C33 | C34 | N35 | H76 | 180.0° | 179.9° |
| C33 | C34 | N35 | C36 | 0.1° | 0.0° |
| C34 | C33 | O37 | C36 | 0.2° | 0.4° |
| C34 | C33 | C32 | H75 | 109.1° | 25.0° |
| C34 | C33 | C32 | H74 | 11.1° | 145.0° |
| C33 | C34 | N35 | H77 | 179.9° | 180.0° |
| O37 | C33 | C34 | N35 | 0.0° | 0.3° |
| C33 | O37 | C36 | N35 | 0.2° | 0.4° |
| C33 | O37 | C36 | O38 | 178.9° | 179.8° |
| O37 | C33 | C32 | H75 | 71.1° | 154.7° |
| O37 | C33 | C32 | H74 | 168.8° | 34.7° |
| O37 | C33 | C34 | H76 | 179.9° | 179.8° |
| C34 | N35 | C36 | H77 | 180.0° | 180.0° |
| C34 | N35 | C36 | O37 | 0.2° | 0.2° |
| C34 | N35 | C36 | O38 | 178.8° | 180.0° |
| N35 | C36 | O37 | O38 | 179.1° | 179.7° |
| C36 | N35 | C34 | H76 | 179.9° | 180.0° |
| O37 | C36 | N35 | H77 | 179.8° | 179.7° |
| O38 | C36 | N35 | H77 | 1.2° | 0.0° |
| H53 | C16 | C17 | H54 | 65.6° | 174.8° |
| H52 | C16 | C17 | H54 | 173.2° | 65.2° |
| H54 | C17 | C18 | H56 | 61.2° | 56.9° |
| H54 | C17 | C18 | H55 | 178.5° | 177.1° |
| H54 | C17 | C22 | H62 | 178.0° | 177.1° |
| H54 | C17 | C22 | H61 | 61.9° | 56.9° |
| H56 | C18 | C19 | H57 | 57.1° | 57.5° |
| H56 | C18 | C19 | H58 | 62.2° | 62.5° |
| H55 | C18 | C19 | H57 | 177.5° | 177.7° |
| H55 | C18 | C19 | H58 | 58.1° | 57.7° |
| H60 | C21 | C22 | H62 | 178.1° | 57.7° |
| H60 | C21 | C22 | H61 | 57.9° | 62.5° |
| H59 | C21 | C22 | H62 | 58.7° | 177.6° |
| H59 | C21 | C22 | H61 | 61.4° | 57.5° |
| H63 | C23 | C24 | H64 | 4.1° | 0.0° |
| H63 | C23 | C24 | H65 | 145.0° | 145.0° |
| H63 | C23 | C25 | H67 | 145.0° | 145.0° |
| H63 | C23 | C25 | H66 | 3.9° | 0.1° |
| H64 | C24 | C25 | H67 | 141.1° | 145.1° |
| H64 | C24 | C25 | H66 | 0.1° | 0.0° |
| H65 | C24 | C25 | H67 | 0.1° | 0.0° |
| H65 | C24 | C25 | H66 | 141.0° | 145.0° |
| H69 | C27 | C4 | H40 | 22.9° | 39.0° |
| H68 | C27 | C4 | H40 | 98.6° | 82.8° |
| H43 | C1 | C2 | H44 | 55.6° | 74.8° |
| H43 | C1 | C2 | H45 | 62.6° | 42.9° |
| H42 | C1 | C2 | H44 | 64.0° | 44.1° |
| H42 | C1 | C2 | H45 | 177.8° | 161.7° |
| H44 | C2 | C3 | H41 | 107.6° | 27.5° |
| H45 | C2 | C3 | H41 | 10.6° | 90.1° |
| H41 | C3 | C4 | H40 | 18.0° | 60.8° |
| H41 | C3 | C29 | H71 | 126.7° | 175.8° |
| H41 | C3 | C29 | H70 | 5.1° | 52.2° |
| H40 | C4 | C5 | H47 | 170.9° | 165.6° |
| H40 | C4 | C5 | H46 | 70.1° | 49.1° |
| H47 | C5 | C6 | H48 | 59.3° | 76.6° |
| H47 | C5 | C6 | H49 | 178.9° | 164.0° |
| H46 | C5 | C6 | H48 | 59.8° | 40.0° |
| H46 | C5 | C6 | H49 | 59.8° | 79.4° |
| H72 | C31 | C32 | H75 | 165.5° | 180.0° |
| H72 | C31 | C32 | H74 | 74.3° | 60.0° |
| H73 | C31 | C32 | H75 | 45.6° | 60.0° |
| H73 | C31 | C32 | H74 | 165.7° | 180.0° |
| H76 | C34 | N35 | H77 | 0.1° | 0.1° |
