A1ACI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C16 | C14 | sing | 1.53Å | 1.53Å | |
| C5 | C4 | sing | 1.55Å | 1.55Å | |
| C5 | N1 | sing | 1.48Å | 1.48Å | |
| C14 | C12 | sing | 1.53Å | 1.56Å | |
| C14 | C17 | sing | 1.53Å | 1.53Å | |
| C4 | O7 | sing | 1.43Å | 1.38Å | |
| C4 | C3 | sing | 1.55Å | 1.54Å | |
| C12 | C10 | sing | 1.51Å | 1.54Å | |
| C12 | N13 | sing | 1.46Å | 1.46Å | |
| O20 | C18 | doub | 1.21Å | 1.23Å | |
| C3 | C2 | sing | 1.54Å | 1.53Å | |
| N1 | C10 | sing | 1.35Å | 1.39Å | |
| N1 | C2 | sing | 1.47Å | 1.47Å | |
| C29 | C30 | doub | 1.35Å | 1.43Å | Aromatic |
| C29 | C28 | sing | 1.41Å | 1.39Å | Aromatic |
| C30 | N31 | sing | 1.35Å | 1.36Å | Aromatic |
| O8 | C6 | doub | 1.21Å | 1.23Å | |
| C18 | N13 | sing | 1.35Å | 1.39Å | |
| C18 | C19 | sing | 1.51Å | 1.51Å | |
| C10 | O11 | doub | 1.21Å | 1.23Å | |
| C2 | C6 | sing | 1.51Å | 1.53Å | |
| C6 | N9 | sing | 1.35Å | 1.38Å | |
| C28 | C26 | sing | 1.48Å | 1.45Å | |
| C28 | N32 | doub | 1.32Å | 1.40Å | Aromatic |
| N31 | N32 | sing | 1.40Å | 1.36Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.37Å | Aromatic |
| C27 | C23 | sing | 1.39Å | 1.41Å | Aromatic |
| C26 | C25 | sing | 1.42Å | 1.43Å | Aromatic |
| C23 | C22 | doub | 1.36Å | 1.37Å | Aromatic |
| C25 | C36 | doub | 1.40Å | 1.42Å | Aromatic |
| C25 | C24 | sing | 1.42Å | 1.41Å | Aromatic |
| C36 | C35 | sing | 1.36Å | 1.36Å | Aromatic |
| N9 | C21 | sing | 1.46Å | 1.47Å | |
| C22 | C24 | sing | 1.41Å | 1.42Å | Aromatic |
| C22 | C21 | sing | 1.51Å | 1.50Å | |
| C24 | C33 | doub | 1.41Å | 1.42Å | Aromatic |
| C35 | C34 | doub | 1.39Å | 1.41Å | Aromatic |
| C33 | C34 | sing | 1.36Å | 1.37Å | Aromatic |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.08Å | 1.08Å | |
| C27 | H20 | sing | 1.08Å | 1.08Å | |
| C29 | H21 | sing | 1.08Å | 1.08Å | |
| C30 | H22 | sing | 1.08Å | 1.08Å | |
| C33 | H23 | sing | 1.08Å | 1.08Å | |
| C34 | H24 | sing | 1.08Å | 1.08Å | |
| C35 | H25 | sing | 1.08Å | 1.08Å | |
| C36 | H26 | sing | 1.08Å | 1.08Å | |
| C4 | H27 | sing | 1.09Å | 1.10Å | |
| C5 | H28 | sing | 1.09Å | 1.10Å | |
| C5 | H29 | sing | 1.09Å | 1.10Å | |
| N13 | H30 | sing | 0.97Å | 1.00Å | |
| N31 | H31 | sing | 0.97Å | 1.00Å | |
| N9 | H32 | sing | 0.97Å | 1.00Å | |
| O7 | H33 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C14 | C16 | 108.6° | 109.4° |
| C15 | C14 | C12 | 110.0° | 109.5° |
| C15 | C14 | C17 | 109.0° | 109.5° |
| C14 | C15 | H5 | 109.5° | 109.5° |
| C14 | C15 | H6 | 109.5° | 109.4° |
| C14 | C15 | H7 | 109.5° | 109.4° |
| C16 | C14 | C12 | 107.5° | 109.4° |
| C16 | C14 | C17 | 108.7° | 109.5° |
| C14 | C16 | H8 | 109.5° | 109.4° |
| C14 | C16 | H9 | 109.5° | 109.5° |
| C14 | C16 | H10 | 109.5° | 109.5° |
| C4 | C5 | N1 | 104.2° | 104.9° |
| C5 | C4 | O7 | 112.4° | 111.0° |
| C5 | C4 | C3 | 103.2° | 101.6° |
| C5 | C4 | H27 | 108.5° | 111.1° |
| C4 | C5 | H28 | 110.8° | 110.4° |
| C4 | C5 | H29 | 110.8° | 110.4° |
| C5 | N1 | C10 | 124.7° | 125.6° |
| C5 | N1 | C2 | 111.1° | 108.6° |
| N1 | C5 | H28 | 110.8° | 110.4° |
| N1 | C5 | H29 | 110.8° | 110.3° |
| C12 | C14 | C17 | 112.9° | 109.5° |
| C14 | C12 | C10 | 112.5° | 109.5° |
| C14 | C12 | N13 | 110.3° | 109.5° |
| C14 | C12 | H4 | 109.0° | 109.4° |
| C14 | C17 | H11 | 109.5° | 109.5° |
| C14 | C17 | H12 | 109.5° | 109.5° |
| C14 | C17 | H13 | 109.5° | 109.5° |
| O7 | C4 | C3 | 112.9° | 111.0° |
| O7 | C4 | H27 | 110.9° | 110.9° |
| C4 | O7 | H33 | 109.5° | 114.0° |
| C4 | C3 | C2 | 102.4° | 103.0° |
| C4 | C3 | H2 | 111.2° | 110.7° |
| C4 | C3 | H3 | 111.2° | 110.9° |
| C3 | C4 | H27 | 108.7° | 111.0° |
| C10 | C12 | N13 | 105.4° | 109.5° |
| C12 | C10 | N1 | 119.1° | 120.0° |
| C12 | C10 | O11 | 122.0° | 120.0° |
| C10 | C12 | H4 | 109.3° | 109.5° |
| C12 | N13 | C18 | 122.3° | 120.0° |
| N13 | C12 | H4 | 110.3° | 109.4° |
| C12 | N13 | H30 | 118.8° | 119.9° |
| O20 | C18 | N13 | 121.8° | 120.0° |
| O20 | C18 | C19 | 122.6° | 120.0° |
| C3 | C2 | N1 | 104.3° | 107.4° |
| C3 | C2 | C6 | 107.8° | 109.9° |
| C3 | C2 | H1 | 110.7° | 109.9° |
| C2 | C3 | H2 | 111.2° | 110.7° |
| C2 | C3 | H3 | 111.2° | 110.7° |
| C10 | N1 | C2 | 118.9° | 125.8° |
| N1 | C10 | O11 | 118.9° | 120.0° |
| N1 | C2 | C6 | 111.5° | 109.9° |
| N1 | C2 | H1 | 111.6° | 109.9° |
| C30 | C29 | C28 | 105.8° | 107.9° |
| C29 | C30 | N31 | 110.5° | 108.0° |
| C30 | C29 | H21 | 127.1° | 126.0° |
| C29 | C30 | H22 | 124.7° | 126.0° |
| C29 | C28 | C26 | 130.1° | 126.0° |
| C29 | C28 | N32 | 106.0° | 107.9° |
| C28 | C29 | H21 | 127.1° | 126.1° |
| C30 | N31 | N32 | 105.7° | 108.2° |
| N31 | C30 | H22 | 124.7° | 126.1° |
| C30 | N31 | H31 | 127.1° | 125.8° |
| O8 | C6 | C2 | 122.4° | 120.0° |
| O8 | C6 | N9 | 122.0° | 120.0° |
| N13 | C18 | C19 | 115.6° | 120.0° |
| C18 | N13 | H30 | 118.8° | 120.1° |
| C18 | C19 | H14 | 109.5° | 109.5° |
| C18 | C19 | H15 | 109.5° | 109.5° |
| C18 | C19 | H16 | 109.5° | 109.5° |
| C2 | C6 | N9 | 115.6° | 120.0° |
| C6 | C2 | H1 | 110.7° | 109.9° |
| C6 | N9 | C21 | 120.1° | 120.0° |
| C6 | N9 | H32 | 120.0° | 120.0° |
| C26 | C28 | N32 | 123.9° | 126.1° |
| C28 | C26 | C27 | 118.1° | 120.4° |
| C28 | C26 | C25 | 121.4° | 120.3° |
| C28 | N32 | N31 | 112.0° | 108.1° |
| N32 | N31 | H31 | 127.2° | 126.0° |
| C26 | C27 | C23 | 120.0° | 120.8° |
| C27 | C26 | C25 | 120.5° | 119.3° |
| C26 | C27 | H20 | 120.0° | 119.6° |
| C27 | C23 | C22 | 120.7° | 121.1° |
| C27 | C23 | H19 | 119.7° | 119.5° |
| C23 | C27 | H20 | 120.0° | 119.6° |
| C26 | C25 | C36 | 121.5° | 121.3° |
| C26 | C25 | C24 | 119.2° | 119.3° |
| C23 | C22 | C24 | 120.5° | 120.1° |
| C23 | C22 | C21 | 118.7° | 120.0° |
| C22 | C23 | H19 | 119.7° | 119.4° |
| C36 | C25 | C24 | 119.3° | 119.5° |
| C25 | C36 | C35 | 120.8° | 119.7° |
| C25 | C36 | H26 | 119.6° | 120.2° |
| C25 | C24 | C22 | 119.1° | 119.5° |
| C25 | C24 | C33 | 118.8° | 119.3° |
| C36 | C35 | C34 | 120.0° | 120.9° |
| C36 | C35 | H25 | 120.0° | 119.6° |
| C35 | C36 | H26 | 119.6° | 120.1° |
| N9 | C21 | C22 | 108.4° | 109.5° |
| N9 | C21 | H17 | 109.7° | 109.5° |
| N9 | C21 | H18 | 109.7° | 109.5° |
| C21 | N9 | H32 | 119.9° | 120.0° |
| C24 | C22 | C21 | 120.9° | 120.0° |
| C22 | C24 | C33 | 122.0° | 121.2° |
| C22 | C21 | H17 | 109.7° | 109.5° |
| C22 | C21 | H18 | 109.7° | 109.5° |
| C24 | C33 | C34 | 120.7° | 119.7° |
| C24 | C33 | H23 | 119.6° | 120.1° |
| C35 | C34 | C33 | 120.4° | 121.0° |
| C35 | C34 | H24 | 119.8° | 119.5° |
| C34 | C35 | H25 | 120.0° | 119.5° |
| C34 | C33 | H23 | 119.6° | 120.2° |
| C33 | C34 | H24 | 119.8° | 119.5° |
| H2 | C3 | H3 | 109.5° | 110.6° |
| H5 | C15 | H6 | 109.4° | 109.5° |
| H5 | C15 | H7 | 109.5° | 109.5° |
| H6 | C15 | H7 | 109.5° | 109.5° |
| H8 | C16 | H9 | 109.4° | 109.5° |
| H8 | C16 | H10 | 109.4° | 109.5° |
| H9 | C16 | H10 | 109.5° | 109.5° |
| H11 | C17 | H12 | 109.5° | 109.5° |
| H11 | C17 | H13 | 109.5° | 109.4° |
| H12 | C17 | H13 | 109.5° | 109.5° |
| H14 | C19 | H15 | 109.4° | 109.4° |
| H14 | C19 | H16 | 109.5° | 109.5° |
| H15 | C19 | H16 | 109.5° | 109.4° |
| H17 | C21 | H18 | 109.5° | 109.5° |
| H28 | C5 | H29 | 109.4° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C14 | C16 | C12 | 119.0° | 120.0° |
| C15 | C14 | C16 | C17 | 118.5° | 120.0° |
| C15 | C14 | C12 | C17 | 122.0° | 120.1° |
| C15 | C14 | C12 | C10 | 64.5° | 174.9° |
| C15 | C14 | C12 | N13 | 178.1° | 65.1° |
| C15 | C14 | C12 | H4 | 56.9° | 54.8° |
| C14 | C15 | H5 | H6 | 120.0° | 120.0° |
| C14 | C15 | H5 | H7 | 120.0° | 120.0° |
| C14 | C15 | H6 | H7 | 120.0° | 119.9° |
| C15 | C14 | C16 | H8 | 180.0° | 180.0° |
| C15 | C14 | C16 | H9 | 60.0° | 60.1° |
| C15 | C14 | C16 | H10 | 60.0° | 60.0° |
| C15 | C14 | C17 | H11 | 180.0° | 55.1° |
| C15 | C14 | C17 | H12 | 60.0° | 65.0° |
| C15 | C14 | C17 | H13 | 60.0° | 175.1° |
| C16 | C14 | C12 | C17 | 119.9° | 120.0° |
| C16 | C14 | C12 | C10 | 177.4° | 65.2° |
| C16 | C14 | C12 | N13 | 60.0° | 54.9° |
| C16 | C14 | C12 | H4 | 61.2° | 174.8° |
| C16 | C14 | C15 | H5 | 180.0° | 60.0° |
| C16 | C14 | C15 | H6 | 60.0° | 60.1° |
| C16 | C14 | C15 | H7 | 60.0° | 180.0° |
| C14 | C16 | H8 | H9 | 120.0° | 119.9° |
| C14 | C16 | H8 | H10 | 120.0° | 120.0° |
| C14 | C16 | H9 | H10 | 120.0° | 120.0° |
| C16 | C14 | C17 | H11 | 61.7° | 175.1° |
| C16 | C14 | C17 | H12 | 178.3° | 55.0° |
| C16 | C14 | C17 | H13 | 58.3° | 64.9° |
| C4 | C5 | N1 | H28 | 119.2° | 118.9° |
| C4 | C5 | N1 | H29 | 119.2° | 118.8° |
| C5 | C4 | O7 | C3 | 116.2° | 112.2° |
| C5 | C4 | O7 | H27 | 121.6° | 124.0° |
| C5 | C4 | C3 | H27 | 115.1° | 118.1° |
| C5 | C4 | C3 | C2 | 38.0° | 35.5° |
| C4 | C5 | N1 | C10 | 146.8° | 155.9° |
| C4 | C5 | N1 | C2 | 6.8° | 24.0° |
| C5 | C4 | C3 | H2 | 156.9° | 153.8° |
| C5 | C4 | C3 | H3 | 80.8° | 82.9° |
| C4 | C5 | H28 | H29 | 122.4° | 122.3° |
| C5 | C4 | O7 | H33 | 180.0° | 67.8° |
| N1 | C5 | C4 | O7 | 93.9° | 155.0° |
| N1 | C5 | C4 | C3 | 27.9° | 37.0° |
| C5 | N1 | C10 | C12 | 27.3° | 4.5° |
| C5 | N1 | C2 | C3 | 17.2° | 0.9° |
| C5 | N1 | C10 | C2 | 151.8° | 179.8° |
| C5 | N1 | C10 | O11 | 152.4° | 175.4° |
| C5 | N1 | C2 | C6 | 133.2° | 120.4° |
| C5 | N1 | C2 | H1 | 102.4° | 118.6° |
| N1 | C5 | C4 | H27 | 143.1° | 81.1° |
| N1 | C5 | H28 | H29 | 122.5° | 122.2° |
| C14 | C12 | C10 | N13 | 120.2° | 120.0° |
| C14 | C12 | C10 | H4 | 121.2° | 120.0° |
| C14 | C12 | N13 | H4 | 120.5° | 119.9° |
| C14 | C12 | C10 | N1 | 92.4° | 99.2° |
| C14 | C12 | N13 | C18 | 129.4° | 85.0° |
| C14 | C12 | C10 | O11 | 87.9° | 80.7° |
| C12 | C14 | C15 | H5 | 62.6° | 60.0° |
| C12 | C14 | C15 | H6 | 57.4° | 180.0° |
| C12 | C14 | C15 | H7 | 177.4° | 60.1° |
| C12 | C14 | C16 | H8 | 61.0° | 60.0° |
| C12 | C14 | C16 | H9 | 179.0° | 180.0° |
| C12 | C14 | C16 | H10 | 58.9° | 60.0° |
| C12 | C14 | C17 | H11 | 57.5° | 65.0° |
| C12 | C14 | C17 | H12 | 62.5° | 175.0° |
| C12 | C14 | C17 | H13 | 177.5° | 55.0° |
| C14 | C12 | N13 | H30 | 50.6° | 95.0° |
| C17 | C14 | C12 | C10 | 57.5° | 54.8° |
| C17 | C14 | C12 | N13 | 59.9° | 174.8° |
| C17 | C14 | C12 | H4 | 178.8° | 65.2° |
| C17 | C14 | C15 | H5 | 61.7° | 180.0° |
| C17 | C14 | C15 | H6 | 178.3° | 60.0° |
| C17 | C14 | C15 | H7 | 58.3° | 60.0° |
| C17 | C14 | C16 | H8 | 61.5° | 60.0° |
| C17 | C14 | C16 | H9 | 58.5° | 60.0° |
| C17 | C14 | C16 | H10 | 178.5° | 180.0° |
| C14 | C17 | H11 | H12 | 120.0° | 120.0° |
| C14 | C17 | H11 | H13 | 120.0° | 120.0° |
| C14 | C17 | H12 | H13 | 120.0° | 120.0° |
| O7 | C4 | C3 | H27 | 123.4° | 123.8° |
| O7 | C4 | C3 | C2 | 83.5° | 153.6° |
| O7 | C4 | C3 | H2 | 35.4° | 88.1° |
| O7 | C4 | C3 | H3 | 157.6° | 35.2° |
| O7 | C4 | C5 | H28 | 146.9° | 86.1° |
| O7 | C4 | C5 | H29 | 25.2° | 36.2° |
| C4 | C3 | C2 | H2 | 118.9° | 118.4° |
| C4 | C3 | C2 | H3 | 118.9° | 118.6° |
| C4 | C3 | C2 | N1 | 34.0° | 22.3° |
| C4 | C3 | C2 | C6 | 152.7° | 97.2° |
| C4 | C3 | C2 | H1 | 86.1° | 141.7° |
| C4 | C3 | H2 | H3 | 123.3° | 123.4° |
| C3 | C4 | C5 | H28 | 91.2° | 155.9° |
| C3 | C4 | C5 | H29 | 147.1° | 81.8° |
| C3 | C4 | O7 | H33 | 63.8° | 180.0° |
| C10 | C12 | N13 | H4 | 117.9° | 120.0° |
| C12 | C10 | N1 | O11 | 179.7° | 179.9° |
| C12 | C10 | N1 | C2 | 179.1° | 175.6° |
| C10 | C12 | N13 | C18 | 108.9° | 155.0° |
| C10 | C12 | N13 | H30 | 71.1° | 25.0° |
| C12 | N13 | C18 | O20 | 0.5° | 0.0° |
| N13 | C12 | C10 | N1 | 147.4° | 140.7° |
| C12 | N13 | C18 | H30 | 180.0° | 180.0° |
| C12 | N13 | C18 | C19 | 179.7° | 180.0° |
| N13 | C12 | C10 | O11 | 32.3° | 39.3° |
| O20 | C18 | N13 | C19 | 179.8° | 180.0° |
| O20 | C18 | C19 | H14 | 0.0° | 90.0° |
| O20 | C18 | C19 | H15 | 120.0° | 30.0° |
| O20 | C18 | C19 | H16 | 120.0° | 149.9° |
| O20 | C18 | N13 | H30 | 179.5° | 180.0° |
| C3 | C2 | N1 | C10 | 172.6° | 178.9° |
| C3 | C2 | N1 | C6 | 116.1° | 119.5° |
| C3 | C2 | N1 | H1 | 119.6° | 119.5° |
| C3 | C2 | C6 | O8 | 92.4° | 118.3° |
| C3 | C2 | C6 | H1 | 121.2° | 121.1° |
| C3 | C2 | C6 | N9 | 87.8° | 61.8° |
| C2 | C3 | H2 | H3 | 123.3° | 123.1° |
| C2 | C3 | C4 | H27 | 153.1° | 82.6° |
| C10 | N1 | C2 | C6 | 71.3° | 59.5° |
| C10 | N1 | C2 | H1 | 53.0° | 61.6° |
| N1 | C10 | C12 | H4 | 28.8° | 20.7° |
| C10 | N1 | C5 | H28 | 94.0° | 37.0° |
| C10 | N1 | C5 | H29 | 27.7° | 85.3° |
| N1 | C2 | C6 | O8 | 21.5° | 0.4° |
| C2 | N1 | C10 | O11 | 0.6° | 4.4° |
| N1 | C2 | C6 | H1 | 124.8° | 121.0° |
| N1 | C2 | C6 | N9 | 158.2° | 179.7° |
| N1 | C2 | C3 | H2 | 152.9° | 140.6° |
| N1 | C2 | C3 | H3 | 84.8° | 96.3° |
| C2 | N1 | C5 | H28 | 112.3° | 142.9° |
| C2 | N1 | C5 | H29 | 126.0° | 94.8° |
| C30 | C29 | C28 | H21 | 180.0° | 179.9° |
| C29 | C30 | N31 | H22 | 180.0° | 180.0° |
| C30 | C29 | C28 | C26 | 179.9° | 180.0° |
| C30 | C29 | C28 | N32 | 0.1° | 0.3° |
| C29 | C30 | N31 | N32 | 0.1° | 0.2° |
| C29 | C30 | N31 | H31 | 179.9° | 180.0° |
| C28 | C29 | C30 | N31 | 0.0° | 0.0° |
| C29 | C28 | C26 | N32 | 179.9° | 179.6° |
| C29 | C28 | N32 | N31 | 0.1° | 0.4° |
| C29 | C28 | C26 | C27 | 50.9° | 47.6° |
| C29 | C28 | C26 | C25 | 128.5° | 133.1° |
| C28 | C29 | C30 | H22 | 180.0° | 180.0° |
| C30 | N31 | N32 | C28 | 0.1° | 0.4° |
| C30 | N31 | N32 | H31 | 180.0° | 179.8° |
| N31 | C30 | C29 | H21 | 180.0° | 180.0° |
| O8 | C6 | C2 | N9 | 179.7° | 180.0° |
| O8 | C6 | N9 | C21 | 0.4° | 0.0° |
| O8 | C6 | C2 | H1 | 146.3° | 120.7° |
| O8 | C6 | N9 | H32 | 179.6° | 180.0° |
| C18 | N13 | C12 | H4 | 9.0° | 34.9° |
| N13 | C18 | C19 | H14 | 179.8° | 90.0° |
| N13 | C18 | C19 | H15 | 59.8° | 150.0° |
| N13 | C18 | C19 | H16 | 60.2° | 30.0° |
| C18 | C19 | H14 | H15 | 120.0° | 120.0° |
| C18 | C19 | H14 | H16 | 120.0° | 120.1° |
| C18 | C19 | H15 | H16 | 120.0° | 120.0° |
| C19 | C18 | N13 | H30 | 0.3° | 0.0° |
| O11 | C10 | C12 | H4 | 150.9° | 159.3° |
| C2 | C6 | N9 | C21 | 179.9° | 180.0° |
| C6 | C2 | C3 | H2 | 88.5° | 21.2° |
| C6 | C2 | C3 | H3 | 33.8° | 144.2° |
| C2 | C6 | N9 | H32 | 0.1° | 0.0° |
| C6 | N9 | C21 | H32 | 180.0° | 180.0° |
| C6 | N9 | C21 | C22 | 104.6° | 180.0° |
| N9 | C6 | C2 | H1 | 33.4° | 59.3° |
| C6 | N9 | C21 | H17 | 15.2° | 60.0° |
| C6 | N9 | C21 | H18 | 135.6° | 60.0° |
| C26 | C28 | N32 | N31 | 180.0° | 179.9° |
| C28 | C26 | C27 | C25 | 179.4° | 179.3° |
| C28 | C26 | C27 | C23 | 179.1° | 179.8° |
| C28 | C26 | C25 | C36 | 1.0° | 0.0° |
| C28 | C26 | C25 | C24 | 179.1° | 180.0° |
| C28 | C26 | C27 | H20 | 0.8° | 0.7° |
| C26 | C28 | C29 | H21 | 0.0° | 0.1° |
| N32 | C28 | C26 | C27 | 129.0° | 132.1° |
| N32 | C28 | C26 | C25 | 51.6° | 47.3° |
| N32 | C28 | C29 | H21 | 179.9° | 179.8° |
| C28 | N32 | N31 | H31 | 179.9° | 179.8° |
| N32 | N31 | C30 | H22 | 179.9° | 179.8° |
| C26 | C27 | C23 | H20 | 180.0° | 179.1° |
| C26 | C27 | C23 | C22 | 0.0° | 0.6° |
| C27 | C26 | C25 | C36 | 179.7° | 179.4° |
| C27 | C26 | C25 | C24 | 0.2° | 0.6° |
| C26 | C27 | C23 | H19 | 180.0° | 179.4° |
| C23 | C27 | C26 | C25 | 0.3° | 0.9° |
| C27 | C23 | C22 | H19 | 180.0° | 180.0° |
| C27 | C23 | C22 | C24 | 0.3° | 0.0° |
| C27 | C23 | C22 | C21 | 179.1° | 179.7° |
| C26 | C25 | C36 | C24 | 179.9° | 180.0° |
| C26 | C25 | C36 | C35 | 179.9° | 180.0° |
| C26 | C25 | C24 | C22 | 0.1° | 0.0° |
| C26 | C25 | C24 | C33 | 179.9° | 180.0° |
| C25 | C26 | C27 | H20 | 179.8° | 180.0° |
| C26 | C25 | C36 | H26 | 0.1° | 0.0° |
| C23 | C22 | C24 | C25 | 0.3° | 0.3° |
| C23 | C22 | C21 | N9 | 9.6° | 99.7° |
| C23 | C22 | C24 | C21 | 179.4° | 179.7° |
| C23 | C22 | C24 | C33 | 179.6° | 179.7° |
| C23 | C22 | C21 | H17 | 129.4° | 20.3° |
| C23 | C22 | C21 | H18 | 110.2° | 140.3° |
| C22 | C23 | C27 | H20 | 179.9° | 179.7° |
| C25 | C36 | C35 | H26 | 180.0° | 180.0° |
| C36 | C25 | C24 | C22 | 180.0° | 180.0° |
| C36 | C25 | C24 | C33 | 0.0° | 0.1° |
| C25 | C36 | C35 | C34 | 0.0° | 0.0° |
| C25 | C36 | C35 | H25 | 180.0° | 180.0° |
| C24 | C25 | C36 | C35 | 0.1° | 0.0° |
| C25 | C24 | C22 | C33 | 179.9° | 180.0° |
| C25 | C24 | C22 | C21 | 179.1° | 180.0° |
| C25 | C24 | C33 | C34 | 0.0° | 0.1° |
| C25 | C24 | C33 | H23 | 180.0° | 180.0° |
| C24 | C25 | C36 | H26 | 180.0° | 179.9° |
| C36 | C35 | C34 | H25 | 180.0° | 180.0° |
| C36 | C35 | C34 | C33 | 0.1° | 0.0° |
| C36 | C35 | C34 | H24 | 179.9° | 180.0° |
| N9 | C21 | C22 | C24 | 169.8° | 80.0° |
| N9 | C21 | C22 | H17 | 119.8° | 120.0° |
| N9 | C21 | C22 | H18 | 119.8° | 120.0° |
| N9 | C21 | H17 | H18 | 120.5° | 120.0° |
| C22 | C24 | C33 | C34 | 179.9° | 180.0° |
| C24 | C22 | C21 | H17 | 50.0° | 160.0° |
| C24 | C22 | C21 | H18 | 70.3° | 40.0° |
| C24 | C22 | C23 | H19 | 179.7° | 180.0° |
| C22 | C24 | C33 | H23 | 0.1° | 0.1° |
| C21 | C22 | C24 | C33 | 1.0° | 0.0° |
| C22 | C21 | H17 | H18 | 120.5° | 120.0° |
| C21 | C22 | C23 | H19 | 0.9° | 0.3° |
| C22 | C21 | N9 | H32 | 75.4° | 0.0° |
| C24 | C33 | C34 | C35 | 0.1° | 0.0° |
| C24 | C33 | C34 | H23 | 180.0° | 179.9° |
| C24 | C33 | C34 | H24 | 179.9° | 180.0° |
| C35 | C34 | C33 | H24 | 180.0° | 180.0° |
| C35 | C34 | C33 | H23 | 179.9° | 179.9° |
| C34 | C35 | C36 | H26 | 180.0° | 180.0° |
| C33 | C34 | C35 | H25 | 179.9° | 180.0° |
| H1 | C2 | C3 | H2 | 32.7° | 99.9° |
| H1 | C2 | C3 | H3 | 155.0° | 23.2° |
| H2 | C3 | C4 | H27 | 88.0° | 35.7° |
| H3 | C3 | C4 | H27 | 34.2° | 158.9° |
| H4 | C12 | N13 | H30 | 171.0° | 145.0° |
| H5 | C15 | H6 | H7 | 120.0° | 120.1° |
| H8 | C16 | H9 | H10 | 119.9° | 120.0° |
| H11 | C17 | H12 | H13 | 120.0° | 120.0° |
| H14 | C19 | H15 | H16 | 120.0° | 119.9° |
| H17 | C21 | N9 | H32 | 164.8° | 120.0° |
| H18 | C21 | N9 | H32 | 44.4° | 120.0° |
| H19 | C23 | C27 | H20 | 0.0° | 0.3° |
| H21 | C29 | C30 | H22 | 0.0° | 0.0° |
| H22 | C30 | N31 | H31 | 0.1° | 0.0° |
| H23 | C33 | C34 | H24 | 0.1° | 0.1° |
| H24 | C34 | C35 | H25 | 0.1° | 0.0° |
| H25 | C35 | C36 | H26 | 0.0° | 0.0° |
| H27 | C4 | C5 | H28 | 23.9° | 37.8° |
| H27 | C4 | C5 | H29 | 97.7° | 160.1° |
| H27 | C4 | O7 | H33 | 58.4° | 56.2° |
