A1BW4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | N25 | sing | 1.47Å | 1.47Å | |
| C24 | N25 | sing | 1.36Å | 1.33Å | |
| C24 | C23 | doub | 1.35Å | 1.39Å | |
| N25 | C26 | sing | 1.35Å | 1.34Å | |
| C23 | C22 | sing | 1.40Å | 1.39Å | |
| C26 | O27 | doub | 1.22Å | 1.20Å | |
| C26 | C21 | sing | 1.42Å | 1.41Å | |
| C22 | C21 | doub | 1.39Å | 1.39Å | |
| C21 | C19 | sing | 1.48Å | 1.41Å | |
| C18 | C19 | doub | 1.39Å | 1.40Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.40Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.41Å | Aromatic |
| C15 | C12 | sing | 1.48Å | 1.42Å | |
| C12 | C13 | doub | 1.39Å | 1.41Å | Aromatic |
| C12 | C11 | sing | 1.40Å | 1.42Å | Aromatic |
| C13 | N14 | sing | 1.32Å | 1.34Å | Aromatic |
| N14 | C9 | doub | 1.33Å | 1.35Å | Aromatic |
| C11 | CL29 | sing | 1.74Å | 1.79Å | |
| C11 | C10 | doub | 1.38Å | 1.44Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C9 | N8 | sing | 1.39Å | 1.50Å | |
| C10 | C5 | sing | 1.50Å | 1.56Å | |
| N8 | C7 | sing | 1.47Å | 1.49Å | |
| C6 | C5 | sing | 1.54Å | 1.36Å | |
| C6 | C2 | sing | 1.54Å | 1.69Å | |
| C5 | C7 | sing | 1.53Å | 1.52Å | |
| C5 | C4 | sing | 1.54Å | 1.59Å | |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C4 | C3 | sing | 1.54Å | 1.62Å | |
| C2 | C3 | sing | 1.54Å | 1.32Å | |
| C2 | C30 | sing | 1.51Å | 1.55Å | |
| C30 | O31 | doub | 1.21Å | 1.19Å | |
| C30 | N32 | sing | 1.35Å | 1.46Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C28 | H283 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| N32 | H321 | sing | 0.97Å | 1.00Å | |
| N32 | H322 | sing | 0.97Å | 1.00Å | |
| N8 | H81 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | N25 | C24 | 118.1° | 119.5° |
| C28 | N25 | C26 | 119.1° | 119.5° |
| N25 | C28 | H281 | 109.5° | 109.4° |
| N25 | C28 | H282 | 109.4° | 109.4° |
| N25 | C28 | H283 | 109.5° | 109.5° |
| N25 | C24 | C23 | 120.5° | 121.1° |
| C24 | N25 | C26 | 122.8° | 121.0° |
| N25 | C24 | H241 | 119.7° | 119.4° |
| C24 | C23 | C22 | 119.1° | 120.1° |
| C23 | C24 | H241 | 119.7° | 119.5° |
| C24 | C23 | H231 | 120.5° | 120.0° |
| N25 | C26 | O27 | 119.2° | 120.1° |
| N25 | C26 | C21 | 119.1° | 119.8° |
| C23 | C22 | C21 | 119.3° | 119.0° |
| C23 | C22 | H221 | 120.4° | 120.4° |
| C22 | C23 | H231 | 120.5° | 120.0° |
| O27 | C26 | C21 | 121.7° | 120.1° |
| C26 | C21 | C22 | 119.3° | 119.0° |
| C26 | C21 | C19 | 123.8° | 120.5° |
| C22 | C21 | C19 | 117.0° | 120.5° |
| C21 | C22 | H221 | 120.4° | 120.5° |
| C21 | C19 | C18 | 121.8° | 120.1° |
| C21 | C19 | C20 | 118.5° | 120.0° |
| C19 | C18 | C17 | 119.3° | 120.1° |
| C18 | C19 | C20 | 119.7° | 119.9° |
| C19 | C18 | H181 | 120.3° | 120.0° |
| C18 | C17 | C16 | 121.0° | 120.2° |
| C18 | C17 | H171 | 119.5° | 119.9° |
| C17 | C18 | H181 | 120.4° | 119.9° |
| C19 | C20 | C15 | 121.4° | 119.8° |
| C19 | C20 | H201 | 119.3° | 120.2° |
| C17 | C16 | C15 | 120.0° | 120.2° |
| C16 | C17 | H171 | 119.5° | 119.9° |
| C17 | C16 | H161 | 120.0° | 119.9° |
| C20 | C15 | C16 | 118.6° | 119.9° |
| C20 | C15 | C12 | 119.6° | 120.1° |
| C15 | C20 | H201 | 119.3° | 120.1° |
| C16 | C15 | C12 | 121.8° | 120.1° |
| C15 | C16 | H161 | 120.0° | 120.0° |
| C15 | C12 | C13 | 118.3° | 120.7° |
| C15 | C12 | C11 | 122.8° | 120.7° |
| C13 | C12 | C11 | 118.9° | 118.6° |
| C12 | C13 | N14 | 120.7° | 120.9° |
| C12 | C13 | H131 | 119.6° | 119.5° |
| C12 | C11 | CL29 | 120.9° | 120.7° |
| C12 | C11 | C10 | 119.0° | 118.6° |
| C13 | N14 | C9 | 122.1° | 122.4° |
| N14 | C13 | H131 | 119.6° | 119.6° |
| N14 | C9 | C10 | 121.8° | 119.7° |
| N14 | C9 | N8 | 131.2° | 128.9° |
| CL29 | C11 | C10 | 120.1° | 120.7° |
| C11 | C10 | C9 | 117.3° | 119.8° |
| C11 | C10 | C5 | 134.8° | 132.1° |
| C10 | C9 | N8 | 107.0° | 111.5° |
| C9 | C10 | C5 | 107.5° | 108.0° |
| C9 | N8 | C7 | 104.8° | 110.2° |
| C9 | N8 | H81 | 110.6° | 124.9° |
| C10 | C5 | C6 | 92.6° | 112.0° |
| C10 | C5 | C7 | 101.6° | 105.6° |
| C10 | C5 | C4 | 145.1° | 111.8° |
| N8 | C7 | C5 | 100.4° | 104.7° |
| N8 | C7 | H72 | 111.7° | 110.4° |
| N8 | C7 | H71 | 111.7° | 110.5° |
| C7 | N8 | H81 | 110.6° | 124.9° |
| C5 | C6 | C2 | 108.0° | 104.1° |
| C6 | C5 | C7 | 147.0° | 111.7° |
| C6 | C5 | C4 | 105.2° | 104.2° |
| C5 | C6 | H62 | 109.8° | 110.5° |
| C5 | C6 | H61 | 109.9° | 110.5° |
| C6 | C2 | C1 | 108.6° | 110.0° |
| C6 | C2 | C3 | 105.5° | 106.6° |
| C6 | C2 | C30 | 115.8° | 110.0° |
| C2 | C6 | H62 | 109.9° | 110.6° |
| C2 | C6 | H61 | 109.8° | 110.5° |
| C7 | C5 | C4 | 79.5° | 111.6° |
| C5 | C7 | H72 | 111.7° | 110.4° |
| C5 | C7 | H71 | 111.7° | 110.4° |
| C5 | C4 | C3 | 105.7° | 104.0° |
| C5 | C4 | H42 | 110.4° | 110.5° |
| C5 | C4 | H41 | 110.4° | 110.6° |
| C1 | C2 | C3 | 110.7° | 110.0° |
| C1 | C2 | C30 | 109.5° | 110.0° |
| C2 | C1 | H12 | 109.5° | 109.4° |
| C2 | C1 | H13 | 109.4° | 109.5° |
| C2 | C1 | H11 | 109.5° | 109.4° |
| C4 | C3 | C2 | 103.3° | 106.7° |
| C3 | C4 | H42 | 110.4° | 110.5° |
| C3 | C4 | H41 | 110.4° | 110.5° |
| C4 | C3 | H31 | 111.0° | 110.0° |
| C4 | C3 | H32 | 111.0° | 110.0° |
| C3 | C2 | C30 | 106.7° | 110.1° |
| C2 | C3 | H31 | 111.0° | 110.0° |
| C2 | C3 | H32 | 111.0° | 110.0° |
| C2 | C30 | O31 | 121.9° | 120.0° |
| C2 | C30 | N32 | 117.7° | 120.0° |
| O31 | C30 | N32 | 120.4° | 120.0° |
| C30 | N32 | H321 | 120.0° | 120.0° |
| C30 | N32 | H322 | 120.0° | 120.0° |
| H42 | C4 | H41 | 109.5° | 110.5° |
| H62 | C6 | H61 | 109.5° | 110.5° |
| H72 | C7 | H71 | 109.5° | 110.3° |
| H281 | C28 | H282 | 109.5° | 109.5° |
| H281 | C28 | H283 | 109.5° | 109.5° |
| H282 | C28 | H283 | 109.5° | 109.5° |
| H12 | C1 | H13 | 109.5° | 109.5° |
| H12 | C1 | H11 | 109.5° | 109.5° |
| H13 | C1 | H11 | 109.5° | 109.5° |
| H31 | C3 | H32 | 109.5° | 110.0° |
| H321 | N32 | H322 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | N25 | C24 | C26 | 179.9° | 179.7° |
| C28 | N25 | C24 | C23 | 179.8° | 180.0° |
| C28 | N25 | C26 | O27 | 0.3° | 0.3° |
| C28 | N25 | C26 | C21 | 180.0° | 179.7° |
| C28 | N25 | C24 | H241 | 0.2° | 0.0° |
| N25 | C28 | H281 | H282 | 120.0° | 120.0° |
| N25 | C28 | H281 | H283 | 120.0° | 120.0° |
| N25 | C28 | H282 | H283 | 120.0° | 120.0° |
| N25 | C24 | C23 | H241 | 180.0° | 180.0° |
| N25 | C24 | C23 | C22 | 0.4° | 0.3° |
| C24 | N25 | C26 | O27 | 179.6° | 180.0° |
| C24 | N25 | C26 | C21 | 0.1° | 0.0° |
| C24 | N25 | C28 | H281 | 180.0° | 0.1° |
| C24 | N25 | C28 | H282 | 60.0° | 120.1° |
| C24 | N25 | C28 | H283 | 60.0° | 120.0° |
| N25 | C24 | C23 | H231 | 179.7° | 180.0° |
| C23 | C24 | N25 | C26 | 0.3° | 0.3° |
| C24 | C23 | C22 | H231 | 180.0° | 179.7° |
| C24 | C23 | C22 | C21 | 0.3° | 0.0° |
| C24 | C23 | C22 | H221 | 179.7° | 180.0° |
| N25 | C26 | O27 | C21 | 179.7° | 180.0° |
| N25 | C26 | C21 | C22 | 0.1° | 0.3° |
| N25 | C26 | C21 | C19 | 179.3° | 180.0° |
| C26 | N25 | C24 | H241 | 179.7° | 179.7° |
| C26 | N25 | C28 | H281 | 0.1° | 179.7° |
| C26 | N25 | C28 | H282 | 119.9° | 60.3° |
| C26 | N25 | C28 | H283 | 120.1° | 59.7° |
| C23 | C22 | C21 | C26 | 0.1° | 0.3° |
| C23 | C22 | C21 | H221 | 180.0° | 180.0° |
| C23 | C22 | C21 | C19 | 179.5° | 180.0° |
| C22 | C23 | C24 | H241 | 179.6° | 179.7° |
| O27 | C26 | C21 | C22 | 179.6° | 179.7° |
| O27 | C26 | C21 | C19 | 0.4° | 0.0° |
| C26 | C21 | C22 | C19 | 179.3° | 179.7° |
| C26 | C21 | C19 | C18 | 52.5° | 65.3° |
| C26 | C21 | C19 | C20 | 128.5° | 114.7° |
| C26 | C21 | C22 | H221 | 179.9° | 179.8° |
| C22 | C21 | C19 | C18 | 128.2° | 115.0° |
| C22 | C21 | C19 | C20 | 50.8° | 65.0° |
| C21 | C22 | C23 | H231 | 179.8° | 179.7° |
| C21 | C19 | C18 | C20 | 179.0° | 180.0° |
| C21 | C19 | C18 | C17 | 179.4° | 179.7° |
| C21 | C19 | C20 | C15 | 179.8° | 180.0° |
| C21 | C19 | C20 | H201 | 0.2° | 0.0° |
| C19 | C21 | C22 | H221 | 0.5° | 0.0° |
| C21 | C19 | C18 | H181 | 0.6° | 0.0° |
| C19 | C18 | C17 | H181 | 180.0° | 179.7° |
| C19 | C18 | C17 | C16 | 0.3° | 0.2° |
| C18 | C19 | C20 | C15 | 1.1° | 0.0° |
| C19 | C18 | C17 | H171 | 179.7° | 179.8° |
| C18 | C19 | C20 | H201 | 178.9° | 180.0° |
| C17 | C18 | C19 | C20 | 0.4° | 0.2° |
| C18 | C17 | C16 | H171 | 180.0° | 180.0° |
| C18 | C17 | C16 | C15 | 1.1° | 0.1° |
| C18 | C17 | C16 | H161 | 178.9° | 180.0° |
| C19 | C20 | C15 | H201 | 180.0° | 180.0° |
| C19 | C20 | C15 | C16 | 1.8° | 0.3° |
| C19 | C20 | C15 | C12 | 179.6° | 180.0° |
| C20 | C19 | C18 | H181 | 179.6° | 180.0° |
| C17 | C16 | C15 | C20 | 1.8° | 0.4° |
| C17 | C16 | C15 | H161 | 180.0° | 179.9° |
| C17 | C16 | C15 | C12 | 179.5° | 180.0° |
| C16 | C17 | C18 | H181 | 179.6° | 179.9° |
| C20 | C15 | C16 | C12 | 177.7° | 179.6° |
| C20 | C15 | C12 | C13 | 46.0° | 50.1° |
| C20 | C15 | C12 | C11 | 133.2° | 130.0° |
| C20 | C15 | C16 | H161 | 178.2° | 179.8° |
| C16 | C15 | C12 | C13 | 131.7° | 130.3° |
| C16 | C15 | C12 | C11 | 49.2° | 49.6° |
| C15 | C16 | C17 | H171 | 178.9° | 179.9° |
| C16 | C15 | C20 | H201 | 178.2° | 179.7° |
| C15 | C12 | C13 | C11 | 179.2° | 179.9° |
| C15 | C12 | C13 | N14 | 179.8° | 179.9° |
| C15 | C12 | C11 | CL29 | 0.1° | 0.1° |
| C15 | C12 | C11 | C10 | 177.4° | 180.0° |
| C15 | C12 | C13 | H131 | 0.2° | 0.2° |
| C12 | C15 | C20 | H201 | 0.4° | 0.0° |
| C12 | C15 | C16 | H161 | 0.5° | 0.1° |
| C12 | C13 | N14 | H131 | 180.0° | 179.9° |
| C12 | C13 | N14 | C9 | 0.3° | 0.1° |
| C13 | C12 | C11 | CL29 | 179.3° | 179.9° |
| C13 | C12 | C11 | C10 | 3.5° | 0.1° |
| C11 | C12 | C13 | N14 | 1.1° | 0.0° |
| C12 | C11 | CL29 | C10 | 177.3° | 180.0° |
| C12 | C11 | C10 | C9 | 5.0° | 0.2° |
| C12 | C11 | C10 | C5 | 177.3° | 179.9° |
| C11 | C12 | C13 | H131 | 178.9° | 180.0° |
| C13 | N14 | C9 | C10 | 2.0° | 0.2° |
| C13 | N14 | C9 | N8 | 179.1° | 179.9° |
| N14 | C9 | C10 | C11 | 4.4° | 0.2° |
| N14 | C9 | C10 | N8 | 179.1° | 179.9° |
| N14 | C9 | C10 | C5 | 178.6° | 179.8° |
| N14 | C9 | N8 | C7 | 152.8° | 179.9° |
| C9 | N14 | C13 | H131 | 179.7° | 180.0° |
| N14 | C9 | N8 | H81 | 88.0° | 0.0° |
| CL29 | C11 | C10 | C9 | 177.7° | 179.8° |
| CL29 | C11 | C10 | C5 | 5.4° | 0.1° |
| C11 | C10 | C9 | C5 | 174.3° | 179.9° |
| C11 | C10 | C9 | N8 | 176.5° | 179.9° |
| C11 | C10 | C5 | C6 | 60.6° | 58.0° |
| C11 | C10 | C5 | C7 | 149.3° | 179.8° |
| C11 | C10 | C5 | C4 | 61.0° | 58.6° |
| C10 | C9 | N8 | C7 | 28.2° | 0.0° |
| C9 | C10 | C5 | C6 | 126.6° | 121.9° |
| C9 | C10 | C5 | C7 | 23.5° | 0.1° |
| C9 | C10 | C5 | C4 | 111.8° | 121.5° |
| C10 | C9 | N8 | H81 | 91.0° | 179.9° |
| N8 | C9 | C10 | C5 | 2.3° | 0.1° |
| C9 | N8 | C7 | H81 | 119.2° | 180.0° |
| C9 | N8 | C7 | C5 | 42.0° | 0.1° |
| C9 | N8 | C7 | H72 | 160.5° | 119.0° |
| C9 | N8 | C7 | H71 | 76.5° | 118.7° |
| C10 | C5 | C7 | N8 | 39.2° | 0.1° |
| C10 | C5 | C6 | C7 | 116.2° | 118.2° |
| C10 | C5 | C6 | C4 | 149.7° | 121.1° |
| C10 | C5 | C6 | C2 | 157.7° | 157.6° |
| C10 | C5 | C7 | C4 | 144.4° | 121.8° |
| C10 | C5 | C4 | C3 | 106.8° | 157.6° |
| C10 | C5 | C4 | H42 | 133.8° | 83.7° |
| C10 | C5 | C4 | H41 | 12.6° | 38.9° |
| C10 | C5 | C6 | H62 | 37.9° | 38.8° |
| C10 | C5 | C6 | H61 | 82.5° | 83.8° |
| C10 | C5 | C7 | H72 | 157.7° | 119.0° |
| C10 | C5 | C7 | H71 | 79.4° | 118.8° |
| N8 | C7 | C5 | C6 | 74.6° | 122.1° |
| N8 | C7 | C5 | H72 | 118.5° | 118.9° |
| N8 | C7 | C5 | H71 | 118.5° | 118.9° |
| N8 | C7 | C5 | C4 | 176.4° | 121.6° |
| N8 | C7 | H72 | H71 | 124.3° | 122.4° |
| C5 | C6 | C2 | H62 | 119.8° | 118.7° |
| C5 | C6 | C2 | H61 | 119.8° | 118.6° |
| C6 | C5 | C7 | C4 | 101.8° | 116.3° |
| C5 | C6 | C2 | C1 | 148.6° | 141.7° |
| C6 | C5 | C4 | C3 | 11.4° | 36.5° |
| C5 | C6 | C2 | C3 | 29.9° | 22.4° |
| C5 | C6 | C2 | C30 | 87.8° | 96.9° |
| C6 | C5 | C4 | H42 | 108.0° | 155.1° |
| C6 | C5 | C4 | H41 | 130.8° | 82.2° |
| C5 | C6 | H62 | H61 | 120.7° | 122.6° |
| C6 | C5 | C7 | H72 | 43.9° | 119.0° |
| C6 | C5 | C7 | H71 | 166.8° | 3.2° |
| C2 | C6 | C5 | C7 | 86.1° | 84.2° |
| C2 | C6 | C5 | C4 | 8.0° | 36.5° |
| C6 | C2 | C1 | C3 | 115.3° | 117.2° |
| C6 | C2 | C1 | C30 | 127.3° | 121.4° |
| C6 | C2 | C3 | C4 | 34.4° | 0.0° |
| C6 | C2 | C3 | C30 | 123.7° | 119.4° |
| C6 | C2 | C30 | O31 | 12.8° | 0.0° |
| C6 | C2 | C30 | N32 | 168.0° | 180.0° |
| C2 | C6 | H62 | H61 | 120.7° | 122.7° |
| C6 | C2 | C1 | H12 | 180.0° | 60.0° |
| C6 | C2 | C1 | H13 | 60.0° | 180.0° |
| C6 | C2 | C1 | H11 | 60.0° | 60.0° |
| C6 | C2 | C3 | H31 | 153.4° | 119.3° |
| C6 | C2 | C3 | H32 | 84.6° | 119.3° |
| C7 | C5 | C4 | C3 | 157.8° | 84.3° |
| C7 | C5 | C4 | H42 | 38.4° | 34.4° |
| C7 | C5 | C4 | H41 | 82.8° | 157.0° |
| C7 | C5 | C6 | H62 | 154.2° | 157.1° |
| C7 | C5 | C6 | H61 | 33.7° | 34.4° |
| C5 | C7 | H72 | H71 | 124.2° | 122.3° |
| C5 | C7 | N8 | H81 | 77.2° | 179.9° |
| C5 | C4 | C3 | H42 | 119.4° | 118.6° |
| C5 | C4 | C3 | H41 | 119.4° | 118.8° |
| C5 | C4 | C3 | C2 | 31.0° | 22.4° |
| C5 | C4 | H42 | H41 | 121.8° | 122.7° |
| C4 | C5 | C6 | H62 | 111.7° | 82.2° |
| C4 | C5 | C6 | H61 | 127.8° | 155.2° |
| C4 | C5 | C7 | H72 | 57.9° | 2.8° |
| C4 | C5 | C7 | H71 | 65.0° | 119.5° |
| C5 | C4 | C3 | H31 | 150.0° | 96.9° |
| C5 | C4 | C3 | H32 | 88.0° | 141.7° |
| C1 | C2 | C3 | C4 | 151.6° | 119.3° |
| C1 | C2 | C3 | C30 | 119.1° | 121.4° |
| C1 | C2 | C30 | O31 | 135.9° | 121.4° |
| C1 | C2 | C30 | N32 | 44.8° | 58.7° |
| C1 | C2 | C6 | H62 | 28.8° | 23.0° |
| C1 | C2 | C6 | H61 | 91.7° | 99.7° |
| C2 | C1 | H12 | H13 | 120.0° | 120.0° |
| C2 | C1 | H12 | H11 | 120.0° | 120.0° |
| C2 | C1 | H13 | H11 | 120.0° | 120.0° |
| C1 | C2 | C3 | H31 | 89.4° | 121.5° |
| C1 | C2 | C3 | H32 | 32.6° | 0.1° |
| C4 | C3 | C2 | H31 | 119.0° | 119.3° |
| C4 | C3 | C2 | H32 | 119.0° | 119.3° |
| C4 | C3 | C2 | C30 | 89.3° | 119.3° |
| C3 | C4 | H42 | H41 | 121.7° | 122.6° |
| C4 | C3 | H31 | H32 | 122.9° | 121.4° |
| C3 | C2 | C30 | O31 | 104.2° | 117.3° |
| C3 | C2 | C30 | N32 | 75.0° | 62.7° |
| C2 | C3 | C4 | H42 | 88.4° | 141.0° |
| C2 | C3 | C4 | H41 | 150.5° | 96.4° |
| C3 | C2 | C6 | H62 | 89.9° | 96.3° |
| C3 | C2 | C6 | H61 | 149.7° | 141.1° |
| C3 | C2 | C1 | H12 | 64.7° | 177.2° |
| C3 | C2 | C1 | H13 | 55.3° | 62.8° |
| C3 | C2 | C1 | H11 | 175.4° | 57.2° |
| C2 | C3 | H31 | H32 | 122.9° | 121.4° |
| C2 | C30 | O31 | N32 | 179.2° | 180.0° |
| C30 | C2 | C6 | H62 | 152.4° | 144.4° |
| C30 | C2 | C6 | H61 | 32.0° | 21.7° |
| C30 | C2 | C1 | H12 | 52.7° | 61.4° |
| C30 | C2 | C1 | H13 | 172.7° | 58.6° |
| C30 | C2 | C1 | H11 | 67.3° | 178.6° |
| C30 | C2 | C3 | H31 | 29.7° | 0.1° |
| C30 | C2 | C3 | H32 | 151.7° | 121.3° |
| C2 | C30 | N32 | H321 | 179.2° | 0.0° |
| C2 | C30 | N32 | H322 | 0.7° | 180.0° |
| O31 | C30 | N32 | H321 | 0.0° | 180.0° |
| O31 | C30 | N32 | H322 | 180.0° | 0.1° |
| C30 | N32 | H321 | H322 | 180.0° | 179.9° |
| H42 | C4 | C3 | H31 | 30.6° | 21.8° |
| H42 | C4 | C3 | H32 | 152.6° | 99.7° |
| H41 | C4 | C3 | H31 | 90.6° | 144.4° |
| H41 | C4 | C3 | H32 | 31.4° | 23.0° |
| H72 | C7 | N8 | H81 | 41.3° | 61.0° |
| H71 | C7 | N8 | H81 | 164.3° | 61.3° |
| H171 | C17 | C16 | H161 | 1.1° | 0.1° |
| H171 | C17 | C18 | H181 | 0.4° | 0.0° |
| H221 | C22 | C23 | H231 | 0.2° | 0.3° |
| H241 | C24 | C23 | H231 | 0.3° | 0.0° |
| H281 | C28 | H282 | H283 | 120.0° | 120.0° |
| H12 | C1 | H13 | H11 | 120.0° | 120.1° |
