PD1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | H11 | sing | 1.09Å | 1.11Å | |
| C1 | H12 | sing | 1.09Å | 1.12Å | |
| C1 | H13A | sing | 1.09Å | 1.11Å | |
| C2 | N1 | sing | 1.47Å | 1.51Å | |
| C2 | H21A | sing | 1.09Å | 1.12Å | |
| C2 | H22 | sing | 1.09Å | 1.11Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | H31 | sing | 1.09Å | 1.11Å | |
| C3 | H32 | sing | 1.09Å | 1.11Å | |
| C3 | H33 | sing | 1.09Å | 1.12Å | |
| C4 | N1 | sing | 1.47Å | 1.50Å | |
| C4 | H41 | sing | 1.09Å | 1.12Å | |
| C4 | H42 | sing | 1.09Å | 1.12Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | N1 | sing | 1.47Å | 1.51Å | |
| C5 | H51 | sing | 1.09Å | 1.11Å | |
| C5 | H52 | sing | 1.09Å | 1.11Å | |
| C6 | C7 | sing | 1.53Å | 1.51Å | |
| C6 | H61 | sing | 1.09Å | 1.11Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C7 | H71 | sing | 1.09Å | 1.12Å | |
| C7 | H72 | sing | 1.09Å | 1.11Å | |
| C8 | N2 | sing | 1.46Å | 1.46Å | |
| C8 | H81 | sing | 1.09Å | 1.12Å | |
| C8 | H82 | sing | 1.09Å | 1.12Å | |
| C9 | N2 | sing | 1.38Å | 1.42Å | |
| C9 | N3 | doub | 1.33Å | 1.32Å | Aromatic |
| C9 | N4 | sing | 1.32Å | 1.33Å | Aromatic |
| C10 | C11 | doub | 1.41Å | 1.40Å | Aromatic |
| C10 | N3 | sing | 1.32Å | 1.38Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.10Å | |
| C11 | C12 | sing | 1.42Å | 1.42Å | Aromatic |
| C11 | C13 | sing | 1.40Å | 1.41Å | Aromatic |
| C12 | N4 | doub | 1.34Å | 1.33Å | Aromatic |
| C12 | N5 | sing | 1.33Å | 1.32Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.38Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| C14 | C15 | sing | 1.41Å | 1.38Å | Aromatic |
| C14 | C16 | sing | 1.48Å | 1.39Å | Aromatic |
| C15 | N5 | doub | 1.32Å | 1.33Å | Aromatic |
| C15 | N6 | sing | 1.39Å | 1.43Å | |
| C16 | C17 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.38Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.10Å | |
| C18 | C19 | doub | 1.39Å | 1.37Å | Aromatic |
| C18 | O1 | sing | 1.36Å | 1.39Å | |
| C19 | C20 | sing | 1.39Å | 1.38Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.10Å | |
| C20 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
| C20 | O2 | sing | 1.36Å | 1.39Å | |
| C21 | H21 | sing | 1.08Å | 1.10Å | |
| C22 | O1 | sing | 1.43Å | 1.45Å | |
| C22 | H221 | sing | 1.09Å | 1.12Å | |
| C22 | H222 | sing | 1.09Å | 1.12Å | |
| C22 | H223 | sing | 1.09Å | 1.12Å | |
| C23 | O2 | sing | 1.43Å | 1.46Å | |
| C23 | H231 | sing | 1.09Å | 1.12Å | |
| C23 | H232 | sing | 1.09Å | 1.12Å | |
| C23 | H233 | sing | 1.09Å | 1.12Å | |
| C24 | N6 | sing | 1.35Å | 1.33Å | |
| C24 | N7 | sing | 1.35Å | 1.34Å | |
| C24 | O3 | doub | 1.22Å | 1.23Å | |
| C25 | C26 | sing | 1.53Å | 1.50Å | |
| C25 | C27 | sing | 1.53Å | 1.53Å | |
| C25 | C28 | sing | 1.53Å | 1.50Å | |
| C25 | N7 | sing | 1.47Å | 1.45Å | |
| C26 | H261 | sing | 1.09Å | 1.11Å | |
| C26 | H262 | sing | 1.09Å | 1.12Å | |
| C26 | H263 | sing | 1.09Å | 1.11Å | |
| C27 | H271 | sing | 1.09Å | 1.12Å | |
| C27 | H272 | sing | 1.09Å | 1.11Å | |
| C27 | H273 | sing | 1.09Å | 1.12Å | |
| C28 | H281 | sing | 1.09Å | 1.12Å | |
| C28 | H282 | sing | 1.09Å | 1.11Å | |
| C28 | H283 | sing | 1.09Å | 1.11Å | |
| N2 | HN2 | sing | 0.97Å | 1.02Å | |
| N6 | HN6 | sing | 0.97Å | 1.02Å | |
| N7 | HN7 | sing | 0.97Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | H11 | 109.8° | 109.5° |
| C2 | C1 | H12 | 112.1° | 109.5° |
| C2 | C1 | H13A | 112.1° | 109.5° |
| C1 | C2 | N1 | 109.8° | 109.5° |
| C1 | C2 | H21A | 112.1° | 109.5° |
| C1 | C2 | H22 | 112.1° | 109.5° |
| H11 | C1 | H12 | 112.1° | 109.4° |
| H11 | C1 | H13A | 112.1° | 109.4° |
| H12 | C1 | H13A | 98.3° | 109.5° |
| N1 | C2 | H21A | 112.1° | 109.4° |
| N1 | C2 | H22 | 112.1° | 109.4° |
| C2 | N1 | C4 | 117.2° | 106.7° |
| C2 | N1 | C5 | 117.6° | 106.7° |
| H21A | C2 | H22 | 98.4° | 109.5° |
| C4 | C3 | H31 | 109.5° | 109.5° |
| C4 | C3 | H32 | 112.2° | 109.5° |
| C4 | C3 | H33 | 112.2° | 109.5° |
| C3 | C4 | N1 | 109.5° | 109.5° |
| C3 | C4 | H41 | 112.2° | 109.4° |
| C3 | C4 | H42 | 112.2° | 109.4° |
| H31 | C3 | H32 | 112.3° | 109.4° |
| H31 | C3 | H33 | 112.2° | 109.5° |
| H32 | C3 | H33 | 98.2° | 109.5° |
| N1 | C4 | H41 | 112.2° | 109.6° |
| N1 | C4 | H42 | 112.2° | 109.4° |
| C4 | N1 | C5 | 117.0° | 106.8° |
| H41 | C4 | H42 | 98.2° | 109.5° |
| C6 | C5 | N1 | 113.9° | 109.5° |
| C6 | C5 | H51 | 110.5° | 109.4° |
| C6 | C5 | H52 | 110.6° | 109.5° |
| C5 | C6 | C7 | 111.4° | 109.5° |
| C5 | C6 | H61 | 111.5° | 109.5° |
| C5 | C6 | H62 | 111.5° | 109.5° |
| N1 | C5 | H51 | 110.6° | 109.5° |
| N1 | C5 | H52 | 110.6° | 109.5° |
| H51 | C5 | H52 | 99.7° | 109.4° |
| C7 | C6 | H61 | 111.5° | 109.4° |
| C7 | C6 | H62 | 111.5° | 109.4° |
| C6 | C7 | C8 | 110.8° | 109.5° |
| C6 | C7 | H71 | 111.7° | 109.4° |
| C6 | C7 | H72 | 111.8° | 109.4° |
| H61 | C6 | H62 | 98.9° | 109.5° |
| C8 | C7 | H71 | 111.7° | 109.5° |
| C8 | C7 | H72 | 111.7° | 109.5° |
| C7 | C8 | N2 | 111.8° | 109.5° |
| C7 | C8 | H81 | 111.4° | 109.5° |
| C7 | C8 | H82 | 111.4° | 109.4° |
| H71 | C7 | H72 | 98.7° | 109.4° |
| N2 | C8 | H81 | 111.3° | 109.5° |
| N2 | C8 | H82 | 111.3° | 109.4° |
| C8 | N2 | C9 | 129.0° | 120.1° |
| C8 | N2 | HN2 | 105.5° | 120.0° |
| H81 | C8 | H82 | 99.1° | 109.5° |
| N2 | C9 | N3 | 117.0° | 118.6° |
| N2 | C9 | N4 | 117.1° | 118.7° |
| C9 | N2 | HN2 | 105.4° | 119.9° |
| N3 | C9 | N4 | 125.9° | 122.7° |
| C9 | N3 | C10 | 116.2° | 121.4° |
| C9 | N4 | C12 | 121.0° | 120.4° |
| C11 | C10 | N3 | 120.4° | 118.5° |
| C11 | C10 | H10 | 120.4° | 120.7° |
| C10 | C11 | C12 | 119.0° | 118.7° |
| C10 | C11 | C13 | 122.3° | 121.9° |
| N3 | C10 | H10 | 119.3° | 120.8° |
| C12 | C11 | C13 | 118.7° | 119.5° |
| C11 | C12 | N4 | 117.6° | 118.4° |
| C11 | C12 | N5 | 119.1° | 120.2° |
| C11 | C13 | C14 | 119.6° | 117.9° |
| C11 | C13 | H13 | 121.0° | 121.0° |
| N4 | C12 | N5 | 123.3° | 121.4° |
| C12 | N5 | C15 | 122.6° | 121.5° |
| C14 | C13 | H13 | 119.4° | 121.1° |
| C13 | C14 | C15 | 118.2° | 119.5° |
| C13 | C14 | C16 | 118.5° | 120.3° |
| C15 | C14 | C16 | 123.3° | 120.3° |
| C14 | C15 | N5 | 121.8° | 121.5° |
| C14 | C15 | N6 | 120.5° | 119.3° |
| C14 | C16 | C17 | 119.2° | 120.1° |
| C14 | C16 | C21 | 121.9° | 120.1° |
| N5 | C15 | N6 | 117.7° | 119.2° |
| C15 | N6 | C24 | 132.1° | 120.0° |
| C15 | N6 | HN6 | 104.4° | 120.0° |
| C17 | C16 | C21 | 118.8° | 119.8° |
| C16 | C17 | C18 | 120.2° | 120.0° |
| C16 | C17 | H17 | 120.5° | 120.0° |
| C16 | C21 | C20 | 119.2° | 119.9° |
| C16 | C21 | H21 | 120.4° | 120.0° |
| C18 | C17 | H17 | 119.3° | 120.0° |
| C17 | C18 | C19 | 121.7° | 120.1° |
| C17 | C18 | O1 | 119.0° | 120.0° |
| C19 | C18 | O1 | 119.3° | 120.0° |
| C18 | C19 | C20 | 118.0° | 120.1° |
| C18 | C19 | H19 | 120.5° | 119.9° |
| C18 | O1 | C22 | 124.2° | 106.8° |
| C20 | C19 | H19 | 121.5° | 119.9° |
| C19 | C20 | C21 | 122.0° | 120.1° |
| C19 | C20 | O2 | 118.8° | 119.9° |
| C21 | C20 | O2 | 119.2° | 120.0° |
| C20 | C21 | H21 | 120.4° | 120.1° |
| C20 | O2 | C23 | 123.9° | 106.8° |
| O1 | C22 | H221 | 124.2° | 109.4° |
| O1 | C22 | H222 | 107.0° | 109.5° |
| O1 | C22 | H223 | 107.0° | 109.5° |
| H221 | C22 | H222 | 106.9° | 109.4° |
| H221 | C22 | H223 | 107.0° | 109.4° |
| H222 | C22 | H223 | 102.6° | 109.5° |
| O2 | C23 | H231 | 123.9° | 109.5° |
| O2 | C23 | H232 | 107.1° | 109.5° |
| O2 | C23 | H233 | 107.1° | 109.5° |
| H231 | C23 | H232 | 107.1° | 109.4° |
| H231 | C23 | H233 | 107.0° | 109.4° |
| H232 | C23 | H233 | 102.6° | 109.5° |
| N6 | C24 | N7 | 117.9° | 120.0° |
| N6 | C24 | O3 | 120.5° | 120.0° |
| C24 | N6 | HN6 | 104.4° | 120.0° |
| N7 | C24 | O3 | 121.5° | 120.0° |
| C24 | N7 | C25 | 125.2° | 120.0° |
| C24 | N7 | HN7 | 112.6° | 120.0° |
| C26 | C25 | C27 | 109.5° | 109.5° |
| C26 | C25 | C28 | 108.7° | 109.5° |
| C26 | C25 | N7 | 109.8° | 109.5° |
| C25 | C26 | H261 | 109.5° | 109.5° |
| C25 | C26 | H262 | 112.2° | 109.5° |
| C25 | C26 | H263 | 112.2° | 109.5° |
| C27 | C25 | C28 | 109.8° | 109.5° |
| C27 | C25 | N7 | 110.6° | 109.4° |
| C25 | C27 | H271 | 109.5° | 109.5° |
| C25 | C27 | H272 | 112.2° | 109.4° |
| C25 | C27 | H273 | 112.2° | 109.4° |
| C28 | C25 | N7 | 108.5° | 109.5° |
| C25 | C28 | H281 | 108.7° | 109.5° |
| C25 | C28 | H282 | 112.5° | 109.5° |
| C25 | C28 | H283 | 112.5° | 109.5° |
| C25 | N7 | HN7 | 122.2° | 120.0° |
| H261 | C26 | H262 | 112.2° | 109.5° |
| H261 | C26 | H263 | 112.3° | 109.5° |
| H262 | C26 | H263 | 98.2° | 109.4° |
| H271 | C27 | H272 | 112.2° | 109.5° |
| H271 | C27 | H273 | 112.2° | 109.5° |
| H272 | C27 | H273 | 98.2° | 109.5° |
| H281 | C28 | H282 | 112.5° | 109.5° |
| H281 | C28 | H283 | 112.5° | 109.4° |
| H282 | C28 | H283 | 98.0° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | H11 | H12 | 125.2° | 120.0° |
| C2 | C1 | H11 | H13A | 125.3° | 120.0° |
| C2 | C1 | H12 | H13A | 118.0° | 120.0° |
| C1 | C2 | N1 | H21A | 125.2° | 120.0° |
| C1 | C2 | N1 | H22 | 125.2° | 120.0° |
| C1 | C2 | H21A | H22 | 118.0° | 120.0° |
| C1 | C2 | N1 | C4 | 138.9° | 66.2° |
| C1 | C2 | N1 | C5 | 73.5° | 180.0° |
| H11 | C1 | H12 | H13A | 118.0° | 119.9° |
| H11 | C1 | C2 | N1 | 180.0° | 60.0° |
| H11 | C1 | C2 | H21A | 54.8° | 180.0° |
| H11 | C1 | C2 | H22 | 54.8° | 60.0° |
| H12 | C1 | C2 | N1 | 54.8° | 180.0° |
| H12 | C1 | C2 | H21A | 70.5° | 60.0° |
| H12 | C1 | C2 | H22 | 180.0° | 60.0° |
| H13A | C1 | C2 | N1 | 54.7° | 60.0° |
| H13A | C1 | C2 | H21A | 179.9° | 60.0° |
| H13A | C1 | C2 | H22 | 70.6° | 180.0° |
| N1 | C2 | H21A | H22 | 118.0° | 120.0° |
| C2 | N1 | C4 | C3 | 60.5° | 165.4° |
| C2 | N1 | C4 | C5 | 147.7° | 113.8° |
| C2 | N1 | C4 | H41 | 64.9° | 45.4° |
| C2 | N1 | C4 | H42 | 174.2° | 74.6° |
| C2 | N1 | C5 | C6 | 22.1° | 76.1° |
| C2 | N1 | C5 | H51 | 103.2° | 163.9° |
| C2 | N1 | C5 | H52 | 147.4° | 44.0° |
| H21A | C2 | N1 | C4 | 95.8° | 53.8° |
| H21A | C2 | N1 | C5 | 51.7° | 60.0° |
| H22 | C2 | N1 | C4 | 13.7° | 173.9° |
| H22 | C2 | N1 | C5 | 161.2° | 60.0° |
| C4 | C3 | H31 | H32 | 125.3° | 120.0° |
| C4 | C3 | H31 | H33 | 125.2° | 120.1° |
| C4 | C3 | H32 | H33 | 118.1° | 120.1° |
| C3 | C4 | N1 | H41 | 125.3° | 120.0° |
| C3 | C4 | N1 | H42 | 125.3° | 119.9° |
| C3 | C4 | H41 | H42 | 118.2° | 120.0° |
| C3 | C4 | N1 | C5 | 151.8° | 80.7° |
| H31 | C3 | H32 | H33 | 118.1° | 120.0° |
| H31 | C3 | C4 | N1 | 180.0° | 178.2° |
| H31 | C3 | C4 | H41 | 54.8° | 61.7° |
| H31 | C3 | C4 | H42 | 54.7° | 58.3° |
| H32 | C3 | C4 | N1 | 54.7° | 58.2° |
| H32 | C3 | C4 | H41 | 70.6° | 178.3° |
| H32 | C3 | C4 | H42 | 179.9° | 61.7° |
| H33 | C3 | C4 | N1 | 54.7° | 61.8° |
| H33 | C3 | C4 | H41 | 180.0° | 58.3° |
| H33 | C3 | C4 | H42 | 70.5° | 178.3° |
| N1 | C4 | H41 | H42 | 118.1° | 120.0° |
| C4 | N1 | C5 | C6 | 125.5° | 170.1° |
| C4 | N1 | C5 | H51 | 109.2° | 50.1° |
| C4 | N1 | C5 | H52 | 0.2° | 69.9° |
| H41 | C4 | N1 | C5 | 82.9° | 159.3° |
| H42 | C4 | N1 | C5 | 26.5° | 39.2° |
| C6 | C5 | N1 | H51 | 125.3° | 120.0° |
| C6 | C5 | N1 | H52 | 125.3° | 120.0° |
| C6 | C5 | H51 | H52 | 116.4° | 119.9° |
| C5 | C6 | C7 | H61 | 125.3° | 120.0° |
| C5 | C6 | C7 | H62 | 125.3° | 120.0° |
| C5 | C6 | H61 | H62 | 117.5° | 120.0° |
| C5 | C6 | C7 | C8 | 175.9° | 180.0° |
| C5 | C6 | C7 | H71 | 58.9° | 60.0° |
| C5 | C6 | C7 | H72 | 50.6° | 59.9° |
| N1 | C5 | H51 | H52 | 116.4° | 120.0° |
| N1 | C5 | C6 | C7 | 160.5° | 176.1° |
| N1 | C5 | C6 | H61 | 35.3° | 56.1° |
| N1 | C5 | C6 | H62 | 74.3° | 63.9° |
| H51 | C5 | C6 | C7 | 35.2° | 63.9° |
| H51 | C5 | C6 | H61 | 90.0° | 176.1° |
| H51 | C5 | C6 | H62 | 160.4° | 56.1° |
| H52 | C5 | C6 | C7 | 74.2° | 56.0° |
| H52 | C5 | C6 | H61 | 160.6° | 64.0° |
| H52 | C5 | C6 | H62 | 51.0° | 176.0° |
| C7 | C6 | H61 | H62 | 117.4° | 119.9° |
| C6 | C7 | C8 | H71 | 125.3° | 120.0° |
| C6 | C7 | C8 | H72 | 125.3° | 120.0° |
| C6 | C7 | H71 | H72 | 117.7° | 119.9° |
| C6 | C7 | C8 | N2 | 165.5° | 180.0° |
| C6 | C7 | C8 | H81 | 40.3° | 59.9° |
| C6 | C7 | C8 | H82 | 69.3° | 60.0° |
| H61 | C6 | C7 | C8 | 50.6° | 59.9° |
| H61 | C6 | C7 | H71 | 175.9° | 180.0° |
| H61 | C6 | C7 | H72 | 74.6° | 60.1° |
| H62 | C6 | C7 | C8 | 58.9° | 60.0° |
| H62 | C6 | C7 | H71 | 66.4° | 60.1° |
| H62 | C6 | C7 | H72 | 175.9° | 180.0° |
| C8 | C7 | H71 | H72 | 117.6° | 120.0° |
| C7 | C8 | N2 | H81 | 125.3° | 120.1° |
| C7 | C8 | N2 | H82 | 125.3° | 119.9° |
| C7 | C8 | H81 | H82 | 117.3° | 119.9° |
| C7 | C8 | N2 | C9 | 166.7° | 180.0° |
| C7 | C8 | N2 | HN2 | 68.0° | 0.1° |
| H71 | C7 | C8 | N2 | 69.3° | 60.0° |
| H71 | C7 | C8 | H81 | 165.5° | 179.9° |
| H71 | C7 | C8 | H82 | 56.0° | 60.0° |
| H72 | C7 | C8 | N2 | 40.2° | 60.0° |
| H72 | C7 | C8 | H81 | 85.1° | 60.1° |
| H72 | C7 | C8 | H82 | 165.4° | 180.0° |
| N2 | C8 | H81 | H82 | 117.2° | 120.0° |
| C8 | N2 | C9 | HN2 | 125.3° | 179.9° |
| C8 | N2 | C9 | N3 | 159.8° | 0.1° |
| C8 | N2 | C9 | N4 | 19.5° | 179.7° |
| H81 | C8 | N2 | C9 | 68.0° | 59.9° |
| H81 | C8 | N2 | HN2 | 57.2° | 120.0° |
| H82 | C8 | N2 | C9 | 41.5° | 60.1° |
| H82 | C8 | N2 | HN2 | 166.7° | 120.0° |
| N2 | C9 | N3 | N4 | 179.2° | 179.6° |
| N2 | C9 | N3 | C10 | 179.4° | 179.9° |
| N2 | C9 | N4 | C12 | 179.7° | 179.8° |
| C9 | N3 | C10 | C11 | 0.6° | 0.1° |
| C9 | N3 | C10 | H10 | 179.4° | 180.0° |
| N3 | C9 | N4 | C12 | 0.4° | 0.6° |
| N3 | C9 | N2 | HN2 | 74.9° | 180.0° |
| N4 | C9 | N3 | C10 | 0.2° | 0.3° |
| C9 | N4 | C12 | C11 | 1.0° | 0.6° |
| C9 | N4 | C12 | N5 | 178.2° | 179.7° |
| N4 | C9 | N2 | HN2 | 105.8° | 0.3° |
| C11 | C10 | N3 | H10 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 179.7° | 179.9° |
| C10 | C11 | C12 | N4 | 1.4° | 0.2° |
| C10 | C11 | C12 | N5 | 178.7° | 179.9° |
| C10 | C11 | C13 | C14 | 178.5° | 179.9° |
| C10 | C11 | C13 | H13 | 1.5° | 0.2° |
| N3 | C10 | C11 | C12 | 1.2° | 0.1° |
| N3 | C10 | C11 | C13 | 178.5° | 180.0° |
| H10 | C10 | C11 | C12 | 178.8° | 180.0° |
| H10 | C10 | C11 | C13 | 1.5° | 0.1° |
| C11 | C12 | N4 | N5 | 177.2° | 179.7° |
| C12 | C11 | C13 | C14 | 1.2° | 0.0° |
| C12 | C11 | C13 | H13 | 178.8° | 179.9° |
| C11 | C12 | N5 | C15 | 0.6° | 0.0° |
| C13 | C11 | C12 | N4 | 178.4° | 179.7° |
| C13 | C11 | C12 | N5 | 1.0° | 0.0° |
| C11 | C13 | C14 | H13 | 180.0° | 179.9° |
| C11 | C13 | C14 | C15 | 1.0° | 0.0° |
| C11 | C13 | C14 | C16 | 178.2° | 179.9° |
| N4 | C12 | N5 | C15 | 177.8° | 179.7° |
| C12 | N5 | C15 | C14 | 0.4° | 0.1° |
| C12 | N5 | C15 | N6 | 179.8° | 180.0° |
| C13 | C14 | C15 | C16 | 179.1° | 179.9° |
| C13 | C14 | C15 | N5 | 0.5° | 0.1° |
| C13 | C14 | C15 | N6 | 180.0° | 180.0° |
| C13 | C14 | C16 | C17 | 75.9° | 60.0° |
| C13 | C14 | C16 | C21 | 103.2° | 120.3° |
| H13 | C13 | C14 | C15 | 179.0° | 179.9° |
| H13 | C13 | C14 | C16 | 1.8° | 0.0° |
| C14 | C15 | N5 | N6 | 179.4° | 180.0° |
| C15 | C14 | C16 | C17 | 103.3° | 120.1° |
| C15 | C14 | C16 | C21 | 77.6° | 59.6° |
| C14 | C15 | N6 | C24 | 176.6° | 179.9° |
| C14 | C15 | N6 | HN6 | 58.1° | 0.0° |
| C16 | C14 | C15 | N5 | 178.6° | 180.0° |
| C16 | C14 | C15 | N6 | 0.8° | 0.1° |
| C14 | C16 | C17 | C21 | 179.1° | 179.7° |
| C14 | C16 | C17 | C18 | 179.9° | 180.0° |
| C14 | C16 | C17 | H17 | 0.1° | 0.1° |
| C14 | C16 | C21 | C20 | 179.7° | 179.8° |
| C14 | C16 | C21 | H21 | 0.3° | 0.3° |
| N5 | C15 | N6 | C24 | 2.9° | 0.1° |
| N5 | C15 | N6 | HN6 | 122.4° | 180.0° |
| C15 | N6 | C24 | HN6 | 125.3° | 179.9° |
| C15 | N6 | C24 | N7 | 12.4° | 180.0° |
| C15 | N6 | C24 | O3 | 170.2° | 0.1° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.7° | 0.0° |
| C16 | C17 | C18 | O1 | 179.3° | 180.0° |
| C17 | C16 | C21 | C20 | 0.6° | 0.5° |
| C17 | C16 | C21 | H21 | 179.4° | 180.0° |
| C21 | C16 | C17 | C18 | 0.8° | 0.2° |
| C21 | C16 | C17 | H17 | 179.2° | 179.8° |
| C16 | C21 | C20 | C19 | 0.4° | 0.5° |
| C16 | C21 | C20 | H21 | 180.0° | 179.4° |
| C16 | C21 | C20 | O2 | 178.6° | 179.8° |
| C17 | C18 | C19 | O1 | 178.6° | 180.0° |
| C17 | C18 | C19 | C20 | 0.5° | 0.0° |
| C17 | C18 | C19 | H19 | 179.5° | 180.0° |
| C17 | C18 | O1 | C22 | 142.6° | 180.0° |
| H17 | C17 | C18 | C19 | 179.3° | 180.0° |
| H17 | C17 | C18 | O1 | 0.7° | 0.0° |
| C18 | C19 | C20 | H19 | 179.9° | 180.0° |
| C18 | C19 | C20 | C21 | 0.3° | 0.3° |
| C18 | C19 | C20 | O2 | 178.5° | 180.0° |
| C19 | C18 | O1 | C22 | 36.0° | 0.0° |
| O1 | C18 | C19 | C20 | 179.1° | 179.9° |
| O1 | C18 | C19 | H19 | 0.9° | 0.1° |
| C18 | O1 | C22 | H221 | 180.0° | 180.0° |
| C18 | O1 | C22 | H222 | 54.7° | 60.0° |
| C18 | O1 | C22 | H223 | 54.7° | 60.1° |
| C19 | C20 | C21 | O2 | 178.2° | 179.7° |
| C19 | C20 | C21 | H21 | 179.6° | 180.0° |
| C19 | C20 | O2 | C23 | 24.1° | 0.0° |
| H19 | C19 | C20 | C21 | 179.6° | 179.7° |
| H19 | C19 | C20 | O2 | 1.4° | 0.0° |
| C21 | C20 | O2 | C23 | 154.2° | 179.7° |
| O2 | C20 | C21 | H21 | 1.4° | 0.3° |
| C20 | O2 | C23 | H231 | 180.0° | 180.0° |
| C20 | O2 | C23 | H232 | 54.7° | 60.0° |
| C20 | O2 | C23 | H233 | 54.7° | 60.0° |
| O1 | C22 | H221 | H222 | 125.3° | 120.0° |
| O1 | C22 | H221 | H223 | 125.3° | 120.0° |
| O1 | C22 | H222 | H223 | 112.5° | 120.1° |
| H221 | C22 | H222 | H223 | 112.4° | 119.9° |
| O2 | C23 | H231 | H232 | 125.3° | 120.0° |
| O2 | C23 | H231 | H233 | 125.3° | 120.0° |
| O2 | C23 | H232 | H233 | 112.6° | 120.0° |
| H231 | C23 | H232 | H233 | 112.5° | 120.0° |
| N6 | C24 | N7 | O3 | 177.4° | 179.9° |
| N6 | C24 | N7 | C25 | 177.2° | 179.9° |
| N6 | C24 | N7 | HN7 | 2.9° | 0.0° |
| C24 | N7 | C25 | C26 | 64.9° | 180.0° |
| C24 | N7 | C25 | C27 | 56.1° | 60.0° |
| C24 | N7 | C25 | C28 | 176.5° | 60.0° |
| C24 | N7 | C25 | HN7 | 180.0° | 180.0° |
| N7 | C24 | N6 | HN6 | 112.9° | 0.1° |
| O3 | C24 | N7 | C25 | 0.2° | 0.0° |
| O3 | C24 | N6 | HN6 | 64.5° | 180.0° |
| O3 | C24 | N7 | HN7 | 179.8° | 179.9° |
| C26 | C25 | C27 | C28 | 119.2° | 120.0° |
| C26 | C25 | C27 | N7 | 121.1° | 120.0° |
| C26 | C25 | C28 | N7 | 119.3° | 120.0° |
| C25 | C26 | H261 | H262 | 125.2° | 120.0° |
| C25 | C26 | H261 | H263 | 125.3° | 120.0° |
| C25 | C26 | H262 | H263 | 118.1° | 120.0° |
| C26 | C25 | C27 | H271 | 180.0° | 60.0° |
| C26 | C25 | C27 | H272 | 54.7° | 180.0° |
| C26 | C25 | C27 | H273 | 54.8° | 60.0° |
| C26 | C25 | C28 | H281 | 180.0° | 60.0° |
| C26 | C25 | C28 | H282 | 54.8° | 60.0° |
| C26 | C25 | C28 | H283 | 54.8° | 180.0° |
| C26 | C25 | N7 | HN7 | 115.1° | 0.1° |
| C27 | C25 | C28 | N7 | 121.0° | 120.0° |
| C27 | C25 | C26 | H261 | 179.9° | 60.0° |
| C27 | C25 | C26 | H262 | 54.8° | 179.9° |
| C27 | C25 | C26 | H263 | 54.7° | 60.0° |
| C25 | C27 | H271 | H272 | 125.3° | 120.0° |
| C25 | C27 | H271 | H273 | 125.2° | 120.0° |
| C25 | C27 | H272 | H273 | 118.1° | 120.0° |
| C27 | C25 | C28 | H281 | 60.3° | 180.0° |
| C27 | C25 | C28 | H282 | 174.5° | 60.0° |
| C27 | C25 | C28 | H283 | 64.9° | 60.0° |
| C27 | C25 | N7 | HN7 | 124.0° | 120.0° |
| C28 | C25 | C26 | H261 | 60.2° | 60.0° |
| C28 | C25 | C26 | H262 | 174.6° | 60.0° |
| C28 | C25 | C26 | H263 | 65.2° | 180.0° |
| C28 | C25 | C27 | H271 | 60.8° | 180.0° |
| C28 | C25 | C27 | H272 | 64.5° | 60.0° |
| C28 | C25 | C27 | H273 | 174.0° | 60.0° |
| C25 | C28 | H281 | H282 | 125.2° | 120.0° |
| C25 | C28 | H281 | H283 | 125.2° | 120.0° |
| C25 | C28 | H282 | H283 | 118.4° | 120.0° |
| C28 | C25 | N7 | HN7 | 3.5° | 120.0° |
| N7 | C25 | C26 | H261 | 58.3° | 180.0° |
| N7 | C25 | C26 | H262 | 66.9° | 60.0° |
| N7 | C25 | C26 | H263 | 176.3° | 60.0° |
| N7 | C25 | C27 | H271 | 58.9° | 60.0° |
| N7 | C25 | C27 | H272 | 175.8° | 60.0° |
| N7 | C25 | C27 | H273 | 66.3° | 180.0° |
| N7 | C25 | C28 | H281 | 60.7° | 60.0° |
| N7 | C25 | C28 | H282 | 64.5° | 180.0° |
| N7 | C25 | C28 | H283 | 174.1° | 60.0° |
| H261 | C26 | H262 | H263 | 118.2° | 119.9° |
| H271 | C27 | H272 | H273 | 118.1° | 120.0° |
| H281 | C28 | H282 | H283 | 118.5° | 119.9° |
