V3D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| O33 | C32 | doub | 1.21Å | 1.22Å | |
| C5 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| N8 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| N8 | C9 | sing | 1.38Å | 1.37Å | Aromatic |
| C7 | C11 | doub | 1.41Å | 1.40Å | Aromatic |
| C32 | N31 | sing | 1.34Å | 1.38Å | |
| C32 | C27 | sing | 1.51Å | 1.52Å | |
| N31 | C30 | sing | 1.47Å | 1.45Å | |
| O13 | C12 | doub | 1.22Å | 1.22Å | |
| C4 | C3 | doub | 1.38Å | 1.41Å | Aromatic |
| C9 | C12 | sing | 1.47Å | 1.44Å | |
| C9 | C10 | doub | 1.36Å | 1.38Å | Aromatic |
| C11 | C3 | sing | 1.41Å | 1.41Å | Aromatic |
| C11 | C10 | sing | 1.41Å | 1.43Å | Aromatic |
| C12 | N14 | sing | 1.35Å | 1.37Å | |
| C3 | O2 | sing | 1.36Å | 1.39Å | |
| C27 | C26 | sing | 1.53Å | 1.52Å | |
| C27 | C29 | sing | 1.55Å | 1.56Å | |
| C30 | C29 | sing | 1.54Å | 1.53Å | |
| C26 | C24 | sing | 1.53Å | 1.52Å | |
| C19 | C18 | sing | 1.53Å | 1.51Å | |
| N14 | C15 | sing | 1.46Å | 1.46Å | |
| O2 | C1 | sing | 1.43Å | 1.44Å | |
| C15 | C21 | sing | 1.51Å | 1.51Å | |
| C15 | C17 | sing | 1.53Å | 1.52Å | |
| N23 | C21 | sing | 1.35Å | 1.39Å | |
| N23 | C24 | sing | 1.47Å | 1.46Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| C18 | C20 | sing | 1.53Å | 1.51Å | |
| C21 | O22 | doub | 1.21Å | 1.23Å | |
| C24 | C34 | sing | 1.51Å | 1.51Å | |
| C34 | O35 | doub | 1.21Å | 1.23Å | |
| C34 | C36 | sing | 1.51Å | 1.48Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| N8 | H7 | sing | 0.97Å | 1.00Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| N14 | H9 | sing | 0.97Å | 1.00Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | 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 | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| N23 | H20 | sing | 0.97Å | 1.00Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C26 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C29 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | H26 | sing | 1.09Å | 1.10Å | |
| C30 | H27 | sing | 1.09Å | 1.10Å | |
| C30 | H28 | sing | 1.09Å | 1.10Å | |
| N31 | H29 | sing | 0.97Å | 1.00Å | |
| C36 | H30 | sing | 1.09Å | 1.10Å | |
| C36 | H31 | sing | 1.09Å | 1.10Å | |
| C36 | O1 | sing | 1.45Å | 32.59Å | |
| O1 | C8 | sing | 1.35Å | 0.00Å | |
| C8 | C13 | sing | 1.48Å | 0.00Å | |
| C13 | C14 | sing | 1.39Å | 0.00Å | Aromatic |
| C14 | C16 | doub | 1.38Å | 0.00Å | Aromatic |
| C16 | C22 | sing | 1.38Å | 0.00Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 0.00Å | Aromatic |
| C23 | C25 | sing | 1.39Å | 0.00Å | Aromatic |
| C25 | C13 | doub | 1.41Å | 0.00Å | Aromatic |
| C8 | O3 | doub | 1.21Å | 0.00Å | |
| C25 | C2 | sing | 1.43Å | 0.00Å | |
| C2 | N1 | trip | 1.14Å | 0.00Å | |
| C14 | H32 | sing | 1.08Å | 0.00Å | |
| C16 | H33 | sing | 1.08Å | 0.00Å | |
| C22 | H34 | sing | 1.08Å | 0.00Å | |
| C23 | H35 | sing | 1.08Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C6 | C7 | 117.0° | 120.1° |
| C6 | C5 | C4 | 120.9° | 120.7° |
| C6 | C5 | H5 | 119.5° | 119.6° |
| C5 | C6 | H6 | 121.5° | 120.0° |
| C6 | C7 | N8 | 129.3° | 133.1° |
| C6 | C7 | C11 | 123.9° | 119.5° |
| C7 | C6 | H6 | 121.5° | 119.9° |
| O33 | C32 | N31 | 125.9° | 124.9° |
| O33 | C32 | C27 | 124.5° | 125.0° |
| C5 | C4 | C3 | 121.2° | 120.5° |
| C5 | C4 | H4 | 119.4° | 119.8° |
| C4 | C5 | H5 | 119.6° | 119.7° |
| C7 | N8 | C9 | 110.6° | 108.7° |
| N8 | C7 | C11 | 106.8° | 107.4° |
| C7 | N8 | H7 | 124.7° | 125.6° |
| N8 | C9 | C12 | 120.7° | 125.5° |
| N8 | C9 | C10 | 108.0° | 109.1° |
| C9 | N8 | H7 | 124.7° | 125.7° |
| C7 | C11 | C3 | 118.3° | 119.7° |
| C7 | C11 | C10 | 107.2° | 107.0° |
| N31 | C32 | C27 | 109.5° | 110.1° |
| C32 | N31 | C30 | 114.0° | 111.3° |
| C32 | N31 | H29 | 123.0° | 124.4° |
| C32 | C27 | C26 | 109.2° | 110.5° |
| C32 | C27 | C29 | 102.6° | 104.2° |
| C32 | C27 | H24 | 111.1° | 110.7° |
| N31 | C30 | C29 | 103.9° | 105.5° |
| N31 | C30 | H27 | 110.8° | 110.3° |
| N31 | C30 | H28 | 110.9° | 110.3° |
| C30 | N31 | H29 | 123.0° | 124.3° |
| O13 | C12 | C9 | 120.9° | 120.0° |
| O13 | C12 | N14 | 123.5° | 120.0° |
| C4 | C3 | C11 | 118.8° | 119.6° |
| C4 | C3 | O2 | 125.1° | 120.2° |
| C3 | C4 | H4 | 119.4° | 119.8° |
| C12 | C9 | C10 | 131.2° | 125.4° |
| C9 | C12 | N14 | 115.6° | 120.0° |
| C9 | C10 | C11 | 107.3° | 107.8° |
| C9 | C10 | H8 | 126.4° | 126.1° |
| C3 | C11 | C10 | 134.4° | 133.3° |
| C11 | C3 | O2 | 116.1° | 120.2° |
| C11 | C10 | H8 | 126.3° | 126.1° |
| C12 | N14 | C15 | 119.7° | 119.9° |
| C12 | N14 | H9 | 120.1° | 120.0° |
| C3 | O2 | C1 | 112.9° | 117.0° |
| C26 | C27 | C29 | 112.2° | 110.5° |
| C27 | C26 | C24 | 109.3° | 109.5° |
| C27 | C26 | H22 | 109.5° | 109.5° |
| C27 | C26 | H23 | 109.5° | 109.5° |
| C26 | C27 | H24 | 111.0° | 110.4° |
| C27 | C29 | C30 | 107.2° | 101.8° |
| C29 | C27 | H24 | 110.5° | 110.5° |
| C27 | C29 | H25 | 110.0° | 111.0° |
| C27 | C29 | H26 | 110.0° | 111.0° |
| C30 | C29 | H25 | 110.0° | 111.0° |
| C30 | C29 | H26 | 110.1° | 111.0° |
| C29 | C30 | H27 | 110.8° | 110.3° |
| C29 | C30 | H28 | 110.8° | 110.3° |
| C26 | C24 | N23 | 112.4° | 109.5° |
| C26 | C24 | C34 | 109.2° | 109.5° |
| C26 | C24 | H21 | 107.5° | 109.5° |
| C24 | C26 | H22 | 109.5° | 109.5° |
| C24 | C26 | H23 | 109.5° | 109.5° |
| C19 | C18 | C17 | 112.2° | 109.5° |
| C19 | C18 | C20 | 108.9° | 109.5° |
| C19 | C18 | H13 | 109.0° | 109.4° |
| C18 | C19 | H14 | 109.5° | 109.4° |
| C18 | C19 | H15 | 109.5° | 109.4° |
| C18 | C19 | H16 | 109.5° | 109.5° |
| N14 | C15 | C21 | 107.2° | 109.5° |
| N14 | C15 | C17 | 111.6° | 109.5° |
| C15 | N14 | H9 | 120.2° | 120.0° |
| N14 | C15 | H10 | 110.4° | 109.5° |
| O2 | C1 | H1 | 109.5° | 109.4° |
| O2 | C1 | H2 | 109.4° | 109.5° |
| O2 | C1 | H3 | 109.5° | 109.4° |
| C21 | C15 | C17 | 108.4° | 109.4° |
| C15 | C21 | N23 | 112.8° | 120.0° |
| C15 | C21 | O22 | 123.5° | 120.0° |
| C21 | C15 | H10 | 109.7° | 109.5° |
| C15 | C17 | C18 | 112.8° | 109.5° |
| C17 | C15 | H10 | 109.6° | 109.5° |
| C15 | C17 | H11 | 108.6° | 109.5° |
| C15 | C17 | H12 | 108.6° | 109.5° |
| C21 | N23 | C24 | 120.2° | 120.0° |
| N23 | C21 | O22 | 123.7° | 120.0° |
| C21 | N23 | H20 | 119.9° | 120.0° |
| N23 | C24 | C34 | 111.7° | 109.5° |
| C24 | N23 | H20 | 119.9° | 120.0° |
| N23 | C24 | H21 | 108.2° | 109.4° |
| C17 | C18 | C20 | 108.9° | 109.5° |
| C18 | C17 | H11 | 108.6° | 109.5° |
| C18 | C17 | H12 | 108.6° | 109.4° |
| C17 | C18 | H13 | 108.9° | 109.5° |
| C20 | C18 | H13 | 109.0° | 109.4° |
| C18 | C20 | H17 | 109.5° | 109.5° |
| C18 | C20 | H18 | 109.5° | 109.5° |
| C18 | C20 | H19 | 109.5° | 109.5° |
| C24 | C34 | O35 | 121.8° | 120.0° |
| C24 | C34 | C36 | 119.5° | 120.0° |
| C34 | C24 | H21 | 107.6° | 109.5° |
| O35 | C34 | C36 | 118.7° | 120.0° |
| C34 | C36 | H30 | 120.5° | 109.5° |
| C34 | C36 | H31 | 120.5° | 109.5° |
| C34 | C36 | O1 | 56.9° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.4° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H11 | C17 | H12 | 109.5° | 109.5° |
| H14 | C19 | H15 | 109.5° | 109.5° |
| H14 | C19 | H16 | 109.5° | 109.5° |
| H15 | C19 | H16 | 109.4° | 109.5° |
| H17 | C20 | H18 | 109.4° | 109.5° |
| H17 | C20 | H19 | 109.4° | 109.5° |
| H18 | C20 | H19 | 109.5° | 109.4° |
| H22 | C26 | H23 | 109.4° | 109.5° |
| H25 | C29 | H26 | 109.5° | 110.8° |
| H27 | C30 | H28 | 109.5° | 110.2° |
| H30 | C36 | H31 | 109.5° | 109.5° |
| H30 | C36 | O1 | 120.5° | 109.4° |
| H31 | C36 | O1 | 120.5° | 109.4° |
| C36 | O1 | C8 | 90.0° | 117.0° |
| O1 | C8 | C13 | 90.0° | 120.0° |
| O1 | C8 | O3 | 90.0° | 120.0° |
| C8 | C13 | C14 | 90.0° | 120.2° |
| C8 | C13 | C25 | 90.0° | 120.2° |
| C13 | C8 | O3 | 90.0° | 120.0° |
| C13 | C14 | C16 | 90.0° | 120.0° |
| C14 | C13 | C25 | 90.0° | 119.6° |
| C13 | C14 | H32 | 90.0° | 120.0° |
| C14 | C16 | C22 | 90.0° | 120.4° |
| C16 | C14 | H32 | 90.0° | 120.0° |
| C14 | C16 | H33 | 90.0° | 119.8° |
| C16 | C22 | C23 | 90.0° | 120.5° |
| C22 | C16 | H33 | 90.0° | 119.8° |
| C16 | C22 | H34 | 90.0° | 119.8° |
| C22 | C23 | C25 | 90.0° | 120.0° |
| C23 | C22 | H34 | 90.0° | 119.7° |
| C22 | C23 | H35 | 90.0° | 120.0° |
| C23 | C25 | C13 | 90.0° | 119.6° |
| C23 | C25 | C2 | 90.0° | 120.2° |
| C25 | C23 | H35 | 90.0° | 120.0° |
| C13 | C25 | C2 | 90.0° | 120.2° |
| C25 | C2 | N1 | 90.0° | 180.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C6 | C5 | C4 | H5 | 180.0° | 179.9° |
| C5 | C6 | C7 | N8 | 179.2° | 180.0° |
| C5 | C6 | C7 | C11 | 1.6° | 0.3° |
| C6 | C5 | C4 | C3 | 1.1° | 0.1° |
| C6 | C5 | C4 | H4 | 178.9° | 180.0° |
| C7 | C6 | C5 | C4 | 0.0° | 0.1° |
| C6 | C7 | N8 | C11 | 177.9° | 179.7° |
| C6 | C7 | N8 | C9 | 179.4° | 180.0° |
| C6 | C7 | C11 | C3 | 2.1° | 0.6° |
| C6 | C7 | C11 | C10 | 179.4° | 179.8° |
| C7 | C6 | C5 | H5 | 180.0° | 180.0° |
| C6 | C7 | N8 | H7 | 0.6° | 0.0° |
| O33 | C32 | N31 | C27 | 176.4° | 180.0° |
| O33 | C32 | N31 | C30 | 179.2° | 179.6° |
| O33 | C32 | C27 | C26 | 52.2° | 45.1° |
| O33 | C32 | C27 | C29 | 171.5° | 163.7° |
| O33 | C32 | C27 | H24 | 70.4° | 77.5° |
| O33 | C32 | N31 | H29 | 0.8° | 0.4° |
| C5 | C4 | C3 | H4 | 180.0° | 179.9° |
| C5 | C4 | C3 | C11 | 0.6° | 0.2° |
| C5 | C4 | C3 | O2 | 179.1° | 179.9° |
| C4 | C5 | C6 | H6 | 180.0° | 180.0° |
| C7 | N8 | C9 | H7 | 180.0° | 180.0° |
| C7 | N8 | C9 | C12 | 177.9° | 180.0° |
| C7 | N8 | C9 | C10 | 1.0° | 0.0° |
| N8 | C7 | C11 | C3 | 179.8° | 179.6° |
| N8 | C7 | C11 | C10 | 1.3° | 0.4° |
| N8 | C7 | C6 | H6 | 0.8° | 0.0° |
| C9 | N8 | C7 | C11 | 1.4° | 0.3° |
| N8 | C9 | C12 | O13 | 1.6° | 180.0° |
| N8 | C9 | C12 | C10 | 178.7° | 180.0° |
| N8 | C9 | C10 | C11 | 0.2° | 0.3° |
| N8 | C9 | C12 | N14 | 175.8° | 0.0° |
| N8 | C9 | C10 | H8 | 179.9° | 180.0° |
| C7 | C11 | C3 | C4 | 0.9° | 0.6° |
| C7 | C11 | C10 | C9 | 0.7° | 0.4° |
| C7 | C11 | C3 | C10 | 178.0° | 178.9° |
| C7 | C11 | C3 | O2 | 179.3° | 179.7° |
| C11 | C7 | C6 | H6 | 178.4° | 179.7° |
| C11 | C7 | N8 | H7 | 178.5° | 179.8° |
| C7 | C11 | C10 | H8 | 179.2° | 179.9° |
| C32 | N31 | C30 | H29 | 180.0° | 180.0° |
| N31 | C32 | C27 | C26 | 131.3° | 134.9° |
| N31 | C32 | C27 | C29 | 12.0° | 16.3° |
| C32 | N31 | C30 | C29 | 8.1° | 17.0° |
| N31 | C32 | C27 | H24 | 106.0° | 102.5° |
| C32 | N31 | C30 | H27 | 111.0° | 136.1° |
| C32 | N31 | C30 | H28 | 127.2° | 102.0° |
| C27 | C32 | N31 | C30 | 2.8° | 0.4° |
| C32 | C27 | C26 | C29 | 113.1° | 114.8° |
| C32 | C27 | C26 | H24 | 122.7° | 122.7° |
| C32 | C27 | C29 | H24 | 118.5° | 118.9° |
| C32 | C27 | C29 | C30 | 16.6° | 24.8° |
| C32 | C27 | C26 | C24 | 177.3° | 68.7° |
| C32 | C27 | C26 | H22 | 62.7° | 51.4° |
| C32 | C27 | C26 | H23 | 57.3° | 171.4° |
| C32 | C27 | C29 | H25 | 103.0° | 93.3° |
| C32 | C27 | C29 | H26 | 136.3° | 143.0° |
| C27 | C32 | N31 | H29 | 177.2° | 179.6° |
| N31 | C30 | C29 | C27 | 15.3° | 25.4° |
| N31 | C30 | C29 | H27 | 119.1° | 119.1° |
| N31 | C30 | C29 | H28 | 119.1° | 119.0° |
| N31 | C30 | C29 | H25 | 104.3° | 92.7° |
| N31 | C30 | C29 | H26 | 134.9° | 143.6° |
| N31 | C30 | H27 | H28 | 122.6° | 122.0° |
| O13 | C12 | C9 | N14 | 177.4° | 180.0° |
| O13 | C12 | C9 | C10 | 179.8° | 0.0° |
| O13 | C12 | N14 | C15 | 0.3° | 0.1° |
| O13 | C12 | N14 | H9 | 179.7° | 180.0° |
| C4 | C3 | C11 | O2 | 179.8° | 179.7° |
| C4 | C3 | C11 | C10 | 179.0° | 179.5° |
| C4 | C3 | O2 | C1 | 6.2° | 0.0° |
| C3 | C4 | C5 | H5 | 178.9° | 180.0° |
| C12 | C9 | C10 | C11 | 178.6° | 179.7° |
| C9 | C12 | N14 | C15 | 177.6° | 180.0° |
| C12 | C9 | N8 | H7 | 2.1° | 0.0° |
| C12 | C9 | C10 | H8 | 1.3° | 0.0° |
| C9 | C12 | N14 | H9 | 2.4° | 0.0° |
| C9 | C10 | C11 | C3 | 178.9° | 179.5° |
| C9 | C10 | C11 | H8 | 180.0° | 179.7° |
| C10 | C9 | C12 | N14 | 2.9° | 180.0° |
| C10 | C9 | N8 | H7 | 179.0° | 180.0° |
| C11 | C3 | O2 | C1 | 174.1° | 179.7° |
| C11 | C3 | C4 | H4 | 179.4° | 179.7° |
| C3 | C11 | C10 | H8 | 1.1° | 0.8° |
| C10 | C11 | C3 | O2 | 1.3° | 0.8° |
| C12 | N14 | C15 | H9 | 180.0° | 179.9° |
| C12 | N14 | C15 | C21 | 73.4° | 155.0° |
| C12 | N14 | C15 | C17 | 168.2° | 85.0° |
| C12 | N14 | C15 | H10 | 46.0° | 35.0° |
| C3 | O2 | C1 | H1 | 180.0° | 60.0° |
| C3 | O2 | C1 | H2 | 60.0° | 60.0° |
| C3 | O2 | C1 | H3 | 60.0° | 180.0° |
| O2 | C3 | C4 | H4 | 0.9° | 0.0° |
| C26 | C27 | C29 | H24 | 124.5° | 122.5° |
| C26 | C27 | C29 | C30 | 133.7° | 143.5° |
| C27 | C26 | C24 | H22 | 120.0° | 120.0° |
| C27 | C26 | C24 | H23 | 120.0° | 120.0° |
| C27 | C26 | C24 | N23 | 71.2° | 172.0° |
| C27 | C26 | C24 | C34 | 164.2° | 68.0° |
| C27 | C26 | C24 | H21 | 47.7° | 52.1° |
| C27 | C26 | H22 | H23 | 120.1° | 120.0° |
| C26 | C27 | C29 | H25 | 14.1° | 25.3° |
| C26 | C27 | C29 | H26 | 106.6° | 98.4° |
| C27 | C29 | C30 | H25 | 119.6° | 118.2° |
| C27 | C29 | C30 | H26 | 119.6° | 118.1° |
| C29 | C27 | C26 | C24 | 69.6° | 176.6° |
| C29 | C27 | C26 | H22 | 50.4° | 63.4° |
| C29 | C27 | C26 | H23 | 170.4° | 56.6° |
| C27 | C29 | H25 | H26 | 121.0° | 123.8° |
| C27 | C29 | C30 | H27 | 103.8° | 144.5° |
| C27 | C29 | C30 | H28 | 134.4° | 93.6° |
| C30 | C29 | C27 | H24 | 101.8° | 94.1° |
| C30 | C29 | H25 | H26 | 121.1° | 123.8° |
| C29 | C30 | H27 | H28 | 122.6° | 121.9° |
| C29 | C30 | N31 | H29 | 171.9° | 163.0° |
| C26 | C24 | N23 | C21 | 125.8° | 88.3° |
| C26 | C24 | N23 | C34 | 123.2° | 120.0° |
| C26 | C24 | N23 | H21 | 118.5° | 119.9° |
| C26 | C24 | C34 | H21 | 116.4° | 120.0° |
| C26 | C24 | C34 | O35 | 39.6° | 87.3° |
| C26 | C24 | C34 | C36 | 143.3° | 92.8° |
| C26 | C24 | N23 | H20 | 54.2° | 91.7° |
| C24 | C26 | H22 | H23 | 120.1° | 120.0° |
| C24 | C26 | C27 | H24 | 54.6° | 54.1° |
| C19 | C18 | C17 | C15 | 75.7° | 175.0° |
| C19 | C18 | C17 | C20 | 120.6° | 120.1° |
| C19 | C18 | C17 | H13 | 120.7° | 120.0° |
| C19 | C18 | C20 | H13 | 118.7° | 119.9° |
| C19 | C18 | C17 | H11 | 163.8° | 55.0° |
| C19 | C18 | C17 | H12 | 44.8° | 65.0° |
| C18 | C19 | H14 | H15 | 120.0° | 119.9° |
| C18 | C19 | H14 | H16 | 120.0° | 120.0° |
| C18 | C19 | H15 | H16 | 120.0° | 120.0° |
| C19 | C18 | C20 | H17 | 180.0° | 180.0° |
| C19 | C18 | C20 | H18 | 60.0° | 60.0° |
| C19 | C18 | C20 | H19 | 60.0° | 60.0° |
| N14 | C15 | C21 | C17 | 120.5° | 120.0° |
| N14 | C15 | C21 | H10 | 119.9° | 120.0° |
| N14 | C15 | C17 | H10 | 122.6° | 120.0° |
| N14 | C15 | C21 | N23 | 140.0° | 180.0° |
| N14 | C15 | C17 | C18 | 68.4° | 65.0° |
| N14 | C15 | C21 | O22 | 40.8° | 0.0° |
| N14 | C15 | C17 | H11 | 52.1° | 54.9° |
| N14 | C15 | C17 | H12 | 171.1° | 175.0° |
| O2 | C1 | H1 | H2 | 120.0° | 120.0° |
| O2 | C1 | H1 | H3 | 120.0° | 119.9° |
| O2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C21 | C15 | C17 | H10 | 119.6° | 120.0° |
| C15 | C21 | N23 | O22 | 179.2° | 180.0° |
| C15 | C21 | N23 | C24 | 177.2° | 174.8° |
| C21 | C15 | C17 | C18 | 173.8° | 175.0° |
| C21 | C15 | N14 | H9 | 106.6° | 25.0° |
| C21 | C15 | C17 | H11 | 65.6° | 65.0° |
| C21 | C15 | C17 | H12 | 53.4° | 55.0° |
| C15 | C21 | N23 | H20 | 2.9° | 5.2° |
| C17 | C15 | C21 | N23 | 99.5° | 60.0° |
| C15 | C17 | C18 | H11 | 120.5° | 120.0° |
| C15 | C17 | C18 | H12 | 120.5° | 120.0° |
| C15 | C17 | C18 | C20 | 163.7° | 65.0° |
| C17 | C15 | C21 | O22 | 79.8° | 120.0° |
| C17 | C15 | N14 | H9 | 11.9° | 94.9° |
| C15 | C17 | H11 | H12 | 118.5° | 120.0° |
| C15 | C17 | C18 | H13 | 45.0° | 55.0° |
| C21 | N23 | C24 | H20 | 180.0° | 180.0° |
| C21 | N23 | C24 | C34 | 111.0° | 151.7° |
| N23 | C21 | C15 | H10 | 20.1° | 60.0° |
| C21 | N23 | C24 | H21 | 7.3° | 31.6° |
| C24 | N23 | C21 | O22 | 2.1° | 5.2° |
| N23 | C24 | C34 | H21 | 118.7° | 120.0° |
| N23 | C24 | C34 | O35 | 164.6° | 32.8° |
| N23 | C24 | C34 | C36 | 18.3° | 147.2° |
| N23 | C24 | C26 | H22 | 168.8° | 52.0° |
| N23 | C24 | C26 | H23 | 48.8° | 68.0° |
| C17 | C18 | C20 | H13 | 118.7° | 120.0° |
| C18 | C17 | C15 | H10 | 54.2° | 55.0° |
| C18 | C17 | H11 | H12 | 118.5° | 120.0° |
| C17 | C18 | C19 | H14 | 180.0° | 60.0° |
| C17 | C18 | C19 | H15 | 60.0° | 180.0° |
| C17 | C18 | C19 | H16 | 60.0° | 60.0° |
| C17 | C18 | C20 | H17 | 57.4° | 60.0° |
| C17 | C18 | C20 | H18 | 62.6° | 180.0° |
| C17 | C18 | C20 | H19 | 177.3° | 60.1° |
| C20 | C18 | C17 | H11 | 43.2° | 175.0° |
| C20 | C18 | C17 | H12 | 75.8° | 55.0° |
| C20 | C18 | C19 | H14 | 59.4° | 60.0° |
| C20 | C18 | C19 | H15 | 60.6° | 60.0° |
| C20 | C18 | C19 | H16 | 179.4° | 180.0° |
| C18 | C20 | H17 | H18 | 120.0° | 120.0° |
| C18 | C20 | H17 | H19 | 120.0° | 120.0° |
| C18 | C20 | H18 | H19 | 120.0° | 120.0° |
| O22 | C21 | C15 | H10 | 160.7° | 120.0° |
| O22 | C21 | N23 | H20 | 177.9° | 174.8° |
| C24 | C34 | O35 | C36 | 177.1° | 180.0° |
| C34 | C24 | N23 | H20 | 69.0° | 28.4° |
| C34 | C24 | C26 | H22 | 44.2° | 172.0° |
| C34 | C24 | C26 | H23 | 75.8° | 52.0° |
| C24 | C34 | C36 | H30 | 21.1° | 62.6° |
| C24 | C34 | C36 | H31 | 163.8° | 57.5° |
| C24 | C34 | C36 | O1 | 87.6° | 177.5° |
| O35 | C34 | C24 | H21 | 76.7° | 152.7° |
| O35 | C34 | C36 | H30 | 156.1° | 117.4° |
| O35 | C34 | C36 | H31 | 13.4° | 122.5° |
| O35 | C34 | C36 | O1 | 95.2° | 2.5° |
| C36 | C34 | C24 | H21 | 100.4° | 27.2° |
| C34 | C36 | H30 | H31 | 146.4° | 120.1° |
| C34 | C36 | H30 | O1 | 67.1° | 120.0° |
| C34 | C36 | H31 | O1 | 67.1° | 120.0° |
| C34 | C36 | O1 | C8 | 90.0° | 180.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H4 | C4 | C5 | H5 | 1.1° | 0.1° |
| H5 | C5 | C6 | H6 | 0.0° | 0.0° |
| H9 | N14 | C15 | H10 | 134.0° | 145.0° |
| H10 | C15 | C17 | H11 | 174.7° | 175.0° |
| H10 | C15 | C17 | H12 | 66.3° | 65.0° |
| H11 | C17 | C18 | H13 | 75.5° | 65.0° |
| H12 | C17 | C18 | H13 | 165.5° | 175.0° |
| H13 | C18 | C19 | H14 | 59.3° | 180.0° |
| H13 | C18 | C19 | H15 | 179.3° | 60.0° |
| H13 | C18 | C19 | H16 | 60.7° | 60.0° |
| H13 | C18 | C20 | H17 | 61.3° | 60.0° |
| H13 | C18 | C20 | H18 | 178.7° | 60.0° |
| H13 | C18 | C20 | H19 | 58.7° | 179.9° |
| H14 | C19 | H15 | H16 | 120.0° | 120.1° |
| H17 | C20 | H18 | H19 | 119.9° | 120.0° |
| H20 | N23 | C24 | H21 | 172.7° | 148.4° |
| H21 | C24 | C26 | H22 | 72.2° | 67.9° |
| H21 | C24 | C26 | H23 | 167.7° | 172.1° |
| H22 | C26 | C27 | H24 | 174.6° | 174.1° |
| H23 | C26 | C27 | H24 | 65.4° | 65.9° |
| H24 | C27 | C29 | H25 | 138.5° | 147.8° |
| H24 | C27 | C29 | H26 | 17.8° | 24.1° |
| H25 | C29 | C30 | H27 | 136.5° | 26.3° |
| H25 | C29 | C30 | H28 | 14.8° | 148.2° |
| H26 | C29 | C30 | H27 | 15.8° | 97.4° |
| H26 | C29 | C30 | H28 | 106.0° | 24.5° |
| H27 | C30 | N31 | H29 | 69.0° | 44.0° |
| H28 | C30 | N31 | H29 | 52.9° | 78.0° |
| H30 | C36 | H31 | O1 | 146.5° | 119.9° |
| H30 | C36 | O1 | C8 | 90.0° | 60.1° |
| H31 | C36 | O1 | C8 | 90.0° | 59.9° |
| C36 | O1 | C8 | C13 | 90.0° | 180.0° |
| C36 | O1 | C8 | O3 | 90.0° | 0.1° |
| O1 | C8 | C13 | O3 | 90.0° | 180.0° |
| O1 | C8 | C13 | C14 | 90.0° | 0.0° |
| O1 | C8 | C13 | C25 | 90.0° | 179.7° |
| C8 | C13 | C14 | C25 | 90.0° | 179.7° |
| C8 | C13 | C14 | C16 | 90.0° | 180.0° |
| C8 | C13 | C25 | C23 | 90.0° | 179.7° |
| C8 | C13 | C25 | C2 | 90.0° | 0.3° |
| C8 | C13 | C14 | H32 | 90.0° | 0.1° |
| C13 | C14 | C16 | H32 | 90.0° | 179.9° |
| C13 | C14 | C16 | C22 | 90.0° | 0.0° |
| C14 | C13 | C25 | C23 | 90.0° | 0.6° |
| C14 | C13 | C8 | O3 | 90.0° | 180.0° |
| C14 | C13 | C25 | C2 | 90.0° | 180.0° |
| C13 | C14 | C16 | H33 | 90.0° | 180.0° |
| C14 | C16 | C22 | H33 | 90.0° | 180.0° |
| C14 | C16 | C22 | C23 | 90.0° | 0.0° |
| C16 | C14 | C13 | C25 | 90.0° | 0.3° |
| C14 | C16 | C22 | H34 | 90.0° | 179.9° |
| C16 | C22 | C23 | H34 | 90.0° | 179.9° |
| C16 | C22 | C23 | C25 | 90.0° | 0.3° |
| C22 | C16 | C14 | H32 | 90.0° | 179.9° |
| C16 | C22 | C23 | H35 | 90.0° | 180.0° |
| C22 | C23 | C25 | H35 | 90.0° | 179.7° |
| C22 | C23 | C25 | C13 | 90.0° | 0.6° |
| C22 | C23 | C25 | C2 | 90.0° | 180.0° |
| C23 | C22 | C16 | H33 | 90.0° | 180.0° |
| C23 | C25 | C13 | C2 | 90.0° | 179.4° |
| C23 | C25 | C2 | N1 | 90.0° | 140.5° |
| C25 | C23 | C22 | H34 | 90.0° | 179.8° |
| C25 | C13 | C8 | O3 | 90.0° | 0.3° |
| C13 | C25 | C2 | N1 | 90.0° | 40.1° |
| C25 | C13 | C14 | H32 | 90.0° | 179.8° |
| C13 | C25 | C23 | H35 | 90.0° | 179.7° |
| C2 | C25 | C23 | H35 | 90.0° | 0.3° |
| H32 | C14 | C16 | H33 | 90.0° | 0.1° |
| H33 | C16 | C22 | H34 | 90.0° | 0.1° |
| H34 | C22 | C23 | H35 | 90.0° | 0.1° |
