1J2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O32 | S30 | doub | 1.42Å | 1.43Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C25 | N16 | sing | 1.47Å | 1.48Å | |
| C26 | C27 | sing | 1.53Å | 1.54Å | |
| C14 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| O24 | C21 | sing | 1.43Å | 1.42Å | |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C27 | S30 | sing | 1.81Å | 1.83Å | |
| C27 | C28 | sing | 1.53Å | 1.55Å | |
| S30 | O31 | doub | 1.42Å | 1.43Å | |
| S30 | C33 | sing | 1.81Å | 1.82Å | |
| N16 | C15 | sing | 1.39Å | 1.42Å | |
| N16 | C29 | sing | 1.47Å | 1.48Å | |
| C15 | C10 | doub | 1.40Å | 1.41Å | Aromatic |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C12 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| C23 | C18 | sing | 1.53Å | 1.53Å | |
| C29 | C28 | sing | 1.53Å | 1.54Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.40Å | 1.41Å | Aromatic |
| C10 | C8 | sing | 1.47Å | 1.47Å | Aromatic |
| C11 | N7 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C18 | N17 | sing | 1.47Å | 1.47Å | |
| C8 | C9 | doub | 1.34Å | 1.34Å | Aromatic |
| N7 | C4 | sing | 1.39Å | 1.40Å | |
| N7 | C9 | sing | 1.37Å | 1.38Å | Aromatic |
| N17 | C2 | sing | 1.38Å | 1.39Å | |
| N3 | C4 | doub | 1.33Å | 1.34Å | Aromatic |
| N3 | C2 | sing | 1.33Å | 1.33Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| C2 | N1 | doub | 1.32Å | 1.32Å | Aromatic |
| N1 | C6 | sing | 1.32Å | 1.34Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H4 | sing | 1.08Å | 1.08Å | |
| C12 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C14 | H7 | sing | 1.08Å | 1.08Å | |
| N17 | H8 | sing | 0.97Å | 1.00Å | |
| C18 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| O24 | H19 | sing | 0.97Å | 0.95Å | |
| C25 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | 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 | |
| C28 | H25 | sing | 1.09Å | 1.10Å | |
| C28 | H26 | sing | 1.09Å | 1.10Å | |
| C29 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H28 | sing | 1.09Å | 1.10Å | |
| C33 | H29 | sing | 1.09Å | 1.10Å | |
| C33 | H30 | sing | 1.09Å | 1.10Å | |
| C33 | H31 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O32 | S30 | C27 | 108.2° | 108.6° |
| O32 | S30 | O31 | 118.3° | 119.2° |
| O32 | S30 | C33 | 108.0° | 108.6° |
| C26 | C25 | N16 | 108.3° | 109.5° |
| C25 | C26 | C27 | 109.4° | 109.3° |
| C26 | C25 | H20 | 109.7° | 109.5° |
| C26 | C25 | H21 | 109.8° | 109.4° |
| C25 | C26 | H22 | 109.5° | 109.4° |
| C25 | C26 | H23 | 109.5° | 109.5° |
| C25 | N16 | C15 | 116.7° | 111.0° |
| C25 | N16 | C29 | 112.1° | 111.2° |
| N16 | C25 | H20 | 109.8° | 109.5° |
| N16 | C25 | H21 | 109.8° | 109.5° |
| C26 | C27 | S30 | 110.6° | 109.5° |
| C26 | C27 | C28 | 110.2° | 109.2° |
| C27 | C26 | H22 | 109.5° | 109.5° |
| C27 | C26 | H23 | 109.5° | 109.6° |
| C26 | C27 | H24 | 109.1° | 109.5° |
| C13 | C14 | C15 | 120.6° | 120.4° |
| C14 | C13 | C12 | 121.1° | 120.7° |
| C14 | C13 | H6 | 119.5° | 119.7° |
| C13 | C14 | H7 | 119.7° | 119.8° |
| C14 | C15 | N16 | 121.3° | 120.3° |
| C14 | C15 | C10 | 118.2° | 119.4° |
| C15 | C14 | H7 | 119.7° | 119.8° |
| C13 | C12 | C11 | 120.1° | 120.1° |
| C13 | C12 | H5 | 120.0° | 120.0° |
| C12 | C13 | H6 | 119.4° | 119.6° |
| O24 | C21 | C22 | 108.7° | 109.5° |
| O24 | C21 | C20 | 107.3° | 109.4° |
| O24 | C21 | H14 | 111.2° | 109.4° |
| C21 | O24 | H19 | 109.5° | 114.0° |
| C21 | C22 | C23 | 110.5° | 109.5° |
| C22 | C21 | C20 | 110.1° | 109.5° |
| C22 | C21 | H14 | 109.7° | 109.5° |
| C21 | C22 | H15 | 109.2° | 109.5° |
| C21 | C22 | H16 | 109.2° | 109.5° |
| C22 | C23 | C18 | 109.6° | 109.5° |
| C23 | C22 | H15 | 109.2° | 109.5° |
| C23 | C22 | H16 | 109.2° | 109.4° |
| C22 | C23 | H17 | 109.5° | 109.5° |
| C22 | C23 | H18 | 109.4° | 109.5° |
| S30 | C27 | C28 | 111.8° | 109.5° |
| C27 | S30 | O31 | 111.1° | 108.6° |
| C27 | S30 | C33 | 101.3° | 101.9° |
| S30 | C27 | H24 | 106.0° | 109.5° |
| C27 | C28 | C29 | 110.1° | 109.3° |
| C28 | C27 | H24 | 109.1° | 109.6° |
| C27 | C28 | H25 | 109.3° | 109.6° |
| C27 | C28 | H26 | 109.3° | 109.5° |
| O31 | S30 | C33 | 108.5° | 108.6° |
| S30 | C33 | H29 | 109.5° | 109.5° |
| S30 | C33 | H30 | 109.5° | 109.5° |
| S30 | C33 | H31 | 109.5° | 109.4° |
| C15 | N16 | C29 | 116.0° | 111.0° |
| N16 | C15 | C10 | 120.5° | 120.3° |
| N16 | C29 | C28 | 107.6° | 109.5° |
| N16 | C29 | H27 | 109.9° | 109.5° |
| N16 | C29 | H28 | 109.9° | 109.4° |
| C15 | C10 | C11 | 121.2° | 119.9° |
| C15 | C10 | C8 | 133.2° | 133.9° |
| C21 | C20 | C19 | 110.7° | 109.4° |
| C21 | C20 | H12 | 109.1° | 109.5° |
| C21 | C20 | H13 | 109.1° | 109.4° |
| C20 | C21 | H14 | 109.7° | 109.4° |
| C12 | C11 | C10 | 118.8° | 119.5° |
| C12 | C11 | N7 | 133.7° | 133.4° |
| C11 | C12 | H5 | 120.0° | 119.9° |
| C23 | C18 | C19 | 110.7° | 109.5° |
| C23 | C18 | N17 | 109.4° | 109.5° |
| C23 | C18 | H9 | 108.6° | 109.5° |
| C18 | C23 | H17 | 109.4° | 109.5° |
| C18 | C23 | H18 | 109.4° | 109.4° |
| C29 | C28 | H25 | 109.3° | 109.5° |
| C29 | C28 | H26 | 109.3° | 109.5° |
| C28 | C29 | H27 | 109.9° | 109.5° |
| C28 | C29 | H28 | 109.9° | 109.5° |
| C20 | C19 | C18 | 110.7° | 109.5° |
| C20 | C19 | H10 | 109.2° | 109.5° |
| C20 | C19 | H11 | 109.1° | 109.4° |
| C19 | C20 | H12 | 109.2° | 109.5° |
| C19 | C20 | H13 | 109.2° | 109.5° |
| C11 | C10 | C8 | 105.6° | 106.2° |
| C10 | C11 | N7 | 107.5° | 107.1° |
| C10 | C8 | C9 | 107.5° | 107.1° |
| C10 | C8 | H3 | 126.3° | 126.5° |
| C11 | N7 | C4 | 127.4° | 125.1° |
| C11 | N7 | C9 | 109.2° | 109.8° |
| C19 | C18 | N17 | 110.0° | 109.5° |
| C19 | C18 | H9 | 108.6° | 109.5° |
| C18 | C19 | H10 | 109.2° | 109.5° |
| C18 | C19 | H11 | 109.2° | 109.5° |
| C18 | N17 | C2 | 120.0° | 120.0° |
| C18 | N17 | H8 | 106.8° | 120.0° |
| N17 | C18 | H9 | 109.5° | 109.5° |
| C8 | C9 | N7 | 110.2° | 109.9° |
| C9 | C8 | H3 | 126.3° | 126.5° |
| C8 | C9 | H4 | 124.9° | 125.0° |
| C4 | N7 | C9 | 123.3° | 125.1° |
| N7 | C4 | N3 | 121.2° | 120.5° |
| N7 | C4 | C5 | 120.5° | 120.5° |
| N7 | C9 | H4 | 124.9° | 125.1° |
| N17 | C2 | N3 | 119.9° | 119.2° |
| N17 | C2 | N1 | 119.2° | 119.2° |
| C2 | N17 | H8 | 106.8° | 120.0° |
| C4 | N3 | C2 | 122.0° | 120.6° |
| N3 | C4 | C5 | 118.2° | 119.1° |
| N3 | C2 | N1 | 120.9° | 121.6° |
| C4 | C5 | C6 | 118.1° | 118.5° |
| C4 | C5 | H1 | 121.0° | 120.7° |
| C2 | N1 | C6 | 120.5° | 120.9° |
| N1 | C6 | C5 | 120.3° | 119.3° |
| N1 | C6 | H2 | 119.9° | 120.4° |
| C6 | C5 | H1 | 121.0° | 120.8° |
| C5 | C6 | H2 | 119.9° | 120.3° |
| H10 | C19 | H11 | 109.5° | 109.5° |
| H12 | C20 | H13 | 109.5° | 109.5° |
| H15 | C22 | H16 | 109.5° | 109.4° |
| H17 | C23 | H18 | 109.5° | 109.4° |
| H20 | C25 | H21 | 109.5° | 109.5° |
| H22 | C26 | H23 | 109.4° | 109.5° |
| H25 | C28 | H26 | 109.4° | 109.4° |
| H27 | C29 | H28 | 109.5° | 109.5° |
| H29 | C33 | H30 | 109.5° | 109.5° |
| H29 | C33 | H31 | 109.5° | 109.5° |
| H30 | C33 | H31 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O32 | S30 | C27 | C26 | 53.6° | 70.5° |
| O32 | S30 | C27 | O31 | 131.5° | 131.0° |
| O32 | S30 | C27 | C33 | 113.4° | 114.5° |
| O32 | S30 | C27 | C28 | 176.9° | 169.8° |
| O32 | S30 | O31 | C33 | 123.5° | 125.0° |
| O32 | S30 | C27 | H24 | 64.4° | 49.6° |
| O32 | S30 | C33 | H29 | 180.0° | 174.5° |
| O32 | S30 | C33 | H30 | 60.0° | 65.5° |
| O32 | S30 | C33 | H31 | 60.0° | 54.5° |
| C26 | C25 | N16 | H20 | 119.8° | 120.0° |
| C26 | C25 | N16 | H21 | 119.8° | 120.0° |
| C25 | C26 | C27 | H22 | 120.0° | 119.9° |
| C25 | C26 | C27 | H23 | 120.0° | 120.0° |
| C25 | C26 | C27 | S30 | 179.7° | 177.6° |
| C25 | C26 | C27 | C28 | 55.6° | 57.7° |
| C26 | C25 | N16 | C15 | 158.2° | 174.2° |
| C26 | C25 | N16 | C29 | 64.7° | 61.7° |
| C26 | C25 | H20 | H21 | 120.5° | 120.0° |
| C25 | C26 | H22 | H23 | 120.0° | 120.1° |
| C25 | C26 | C27 | H24 | 64.1° | 62.4° |
| N16 | C25 | C26 | C27 | 58.6° | 59.2° |
| C25 | N16 | C15 | C14 | 18.8° | 64.2° |
| C25 | N16 | C15 | C29 | 135.5° | 124.2° |
| C25 | N16 | C15 | C10 | 161.1° | 115.8° |
| C25 | N16 | C29 | C28 | 64.0° | 61.7° |
| N16 | C25 | H20 | H21 | 120.6° | 120.0° |
| N16 | C25 | C26 | H22 | 61.4° | 60.8° |
| N16 | C25 | C26 | H23 | 178.6° | 179.2° |
| C25 | N16 | C29 | H27 | 55.7° | 58.3° |
| C25 | N16 | C29 | H28 | 176.3° | 178.2° |
| C26 | C27 | S30 | C28 | 123.2° | 119.7° |
| C26 | C27 | S30 | H24 | 118.1° | 120.1° |
| C26 | C27 | C28 | H24 | 119.7° | 120.0° |
| C26 | C27 | S30 | O31 | 77.9° | 60.5° |
| C26 | C27 | S30 | C33 | 167.0° | 175.0° |
| C26 | C27 | C28 | C29 | 55.7° | 57.7° |
| C27 | C26 | C25 | H20 | 61.2° | 179.2° |
| C27 | C26 | C25 | H21 | 178.4° | 60.9° |
| C27 | C26 | H22 | H23 | 120.0° | 120.2° |
| C26 | C27 | C28 | H25 | 64.4° | 62.3° |
| C26 | C27 | C28 | H26 | 175.8° | 177.7° |
| C13 | C14 | C15 | H7 | 180.0° | 179.9° |
| C14 | C13 | C12 | H6 | 180.0° | 180.0° |
| C13 | C14 | C15 | N16 | 179.7° | 180.0° |
| C13 | C14 | C15 | C10 | 0.2° | 0.0° |
| C14 | C13 | C12 | C11 | 0.2° | 0.0° |
| C14 | C13 | C12 | H5 | 179.9° | 179.9° |
| C15 | C14 | C13 | C12 | 0.4° | 0.0° |
| C14 | C15 | N16 | C10 | 179.8° | 180.0° |
| C14 | C15 | N16 | C29 | 116.7° | 59.9° |
| C14 | C15 | C10 | C11 | 0.2° | 0.0° |
| C14 | C15 | C10 | C8 | 179.9° | 180.0° |
| C15 | C14 | C13 | H6 | 179.6° | 180.0° |
| C13 | C12 | C11 | H5 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 0.2° | 0.0° |
| C13 | C12 | C11 | N7 | 179.8° | 179.8° |
| C12 | C13 | C14 | H7 | 179.6° | 179.9° |
| O24 | C21 | C22 | C20 | 117.3° | 120.0° |
| O24 | C21 | C22 | H14 | 121.9° | 120.0° |
| O24 | C21 | C22 | C23 | 176.3° | 180.0° |
| O24 | C21 | C20 | H14 | 121.0° | 119.9° |
| O24 | C21 | C20 | C19 | 175.4° | 180.0° |
| O24 | C21 | C20 | H12 | 55.2° | 60.0° |
| O24 | C21 | C20 | H13 | 64.4° | 60.1° |
| O24 | C21 | C22 | H15 | 63.6° | 60.0° |
| O24 | C21 | C22 | H16 | 56.1° | 60.0° |
| C21 | C22 | C23 | H15 | 120.2° | 120.1° |
| C21 | C22 | C23 | H16 | 120.2° | 120.0° |
| C22 | C21 | C20 | H14 | 120.8° | 120.0° |
| C21 | C22 | C23 | C18 | 59.2° | 60.0° |
| C22 | C21 | C20 | C19 | 57.2° | 60.0° |
| C22 | C21 | C20 | H12 | 63.0° | 180.0° |
| C22 | C21 | C20 | H13 | 177.4° | 60.0° |
| C21 | C22 | H15 | H16 | 119.5° | 120.0° |
| C21 | C22 | C23 | H17 | 60.8° | 180.0° |
| C21 | C22 | C23 | H18 | 179.2° | 60.0° |
| C22 | C21 | O24 | H19 | 180.0° | 60.0° |
| C23 | C22 | C21 | C20 | 59.0° | 60.0° |
| C22 | C23 | C18 | H17 | 120.0° | 120.1° |
| C22 | C23 | C18 | H18 | 120.0° | 120.0° |
| C22 | C23 | C18 | C19 | 57.8° | 60.0° |
| C22 | C23 | C18 | N17 | 179.2° | 180.0° |
| C22 | C23 | C18 | H9 | 61.3° | 60.0° |
| C23 | C22 | C21 | H14 | 61.8° | 60.0° |
| C23 | C22 | H15 | H16 | 119.5° | 119.9° |
| C22 | C23 | H17 | H18 | 120.0° | 120.0° |
| S30 | C27 | C28 | H24 | 116.8° | 120.2° |
| C27 | S30 | O31 | C33 | 110.5° | 110.1° |
| S30 | C27 | C28 | C29 | 179.2° | 177.6° |
| S30 | C27 | C26 | H22 | 59.7° | 57.7° |
| S30 | C27 | C26 | H23 | 60.2° | 62.5° |
| S30 | C27 | C28 | H25 | 59.1° | 57.6° |
| S30 | C27 | C28 | H26 | 60.7° | 62.5° |
| C27 | S30 | C33 | H29 | 66.5° | 60.0° |
| C27 | S30 | C33 | H30 | 173.5° | 180.0° |
| C27 | S30 | C33 | H31 | 53.5° | 60.0° |
| C28 | C27 | S30 | O31 | 45.4° | 59.2° |
| C28 | C27 | S30 | C33 | 69.7° | 55.3° |
| C27 | C28 | C29 | N16 | 58.3° | 59.2° |
| C27 | C28 | C29 | H25 | 120.1° | 120.0° |
| C27 | C28 | C29 | H26 | 120.1° | 120.0° |
| C28 | C27 | C26 | H22 | 64.4° | 62.2° |
| C28 | C27 | C26 | H23 | 175.6° | 177.6° |
| C27 | C28 | H25 | H26 | 119.7° | 120.1° |
| C27 | C28 | C29 | H27 | 61.4° | 60.8° |
| C27 | C28 | C29 | H28 | 178.0° | 179.1° |
| O31 | S30 | C27 | H24 | 164.1° | 179.4° |
| O31 | S30 | C33 | H29 | 50.5° | 54.5° |
| O31 | S30 | C33 | H30 | 69.5° | 65.5° |
| O31 | S30 | C33 | H31 | 170.6° | 174.5° |
| C33 | S30 | C27 | H24 | 49.0° | 64.9° |
| S30 | C33 | H29 | H30 | 120.0° | 120.0° |
| S30 | C33 | H29 | H31 | 120.0° | 119.9° |
| S30 | C33 | H30 | H31 | 120.0° | 120.0° |
| C15 | N16 | C29 | C28 | 158.5° | 174.2° |
| N16 | C15 | C10 | C11 | 179.9° | 180.0° |
| N16 | C15 | C10 | C8 | 0.3° | 0.0° |
| N16 | C15 | C14 | H7 | 0.3° | 0.1° |
| C15 | N16 | C25 | H20 | 82.0° | 54.2° |
| C15 | N16 | C25 | H21 | 38.4° | 65.8° |
| C15 | N16 | C29 | H27 | 81.8° | 65.8° |
| C15 | N16 | C29 | H28 | 38.9° | 54.2° |
| C29 | N16 | C15 | C10 | 63.5° | 120.0° |
| N16 | C29 | C28 | H27 | 119.7° | 120.0° |
| N16 | C29 | C28 | H28 | 119.7° | 119.9° |
| C29 | N16 | C25 | H20 | 55.1° | 178.3° |
| C29 | N16 | C25 | H21 | 175.5° | 58.3° |
| N16 | C29 | C28 | H25 | 61.8° | 60.8° |
| N16 | C29 | C28 | H26 | 178.4° | 179.2° |
| N16 | C29 | H27 | H28 | 120.9° | 119.9° |
| C15 | C10 | C11 | C12 | 0.4° | 0.0° |
| C15 | C10 | C11 | C8 | 179.7° | 180.0° |
| C15 | C10 | C11 | N7 | 179.9° | 179.9° |
| C15 | C10 | C8 | C9 | 179.5° | 180.0° |
| C15 | C10 | C8 | H3 | 0.5° | 0.1° |
| C10 | C15 | C14 | H7 | 179.8° | 180.0° |
| C21 | C20 | C19 | H12 | 120.2° | 120.0° |
| C21 | C20 | C19 | H13 | 120.2° | 119.9° |
| C21 | C20 | C19 | C18 | 56.0° | 60.0° |
| C21 | C20 | C19 | H10 | 176.3° | 60.0° |
| C21 | C20 | C19 | H11 | 64.1° | 180.0° |
| C21 | C20 | H12 | H13 | 119.4° | 120.0° |
| C20 | C21 | C22 | H15 | 179.1° | 180.0° |
| C20 | C21 | C22 | H16 | 61.2° | 60.0° |
| C20 | C21 | O24 | H19 | 60.9° | 180.0° |
| C12 | C11 | C10 | N7 | 179.7° | 179.8° |
| C12 | C11 | C10 | C8 | 179.8° | 180.0° |
| C12 | C11 | N7 | C4 | 1.4° | 0.3° |
| C12 | C11 | N7 | C9 | 180.0° | 180.0° |
| C11 | C12 | C13 | H6 | 179.8° | 180.0° |
| C23 | C18 | C19 | C20 | 56.6° | 60.0° |
| C23 | C18 | C19 | N17 | 121.0° | 120.0° |
| C23 | C18 | C19 | H9 | 119.2° | 120.0° |
| C23 | C18 | N17 | H9 | 118.9° | 120.0° |
| C23 | C18 | N17 | C2 | 155.5° | 85.0° |
| C23 | C18 | N17 | H8 | 83.0° | 95.0° |
| C23 | C18 | C19 | H10 | 176.8° | 60.0° |
| C23 | C18 | C19 | H11 | 63.6° | 180.0° |
| C18 | C23 | C22 | H15 | 179.4° | 180.0° |
| C18 | C23 | C22 | H16 | 60.9° | 60.1° |
| C18 | C23 | H17 | H18 | 119.9° | 119.9° |
| C29 | C28 | C27 | H24 | 64.0° | 62.3° |
| C29 | C28 | H25 | H26 | 119.7° | 120.0° |
| C28 | C29 | H27 | H28 | 120.8° | 120.0° |
| C20 | C19 | C18 | H10 | 120.2° | 120.0° |
| C20 | C19 | C18 | H11 | 120.2° | 119.9° |
| C20 | C19 | C18 | N17 | 177.6° | 180.0° |
| C20 | C19 | C18 | H9 | 62.6° | 60.0° |
| C20 | C19 | H10 | H11 | 119.4° | 120.0° |
| C19 | C20 | H12 | H13 | 119.4° | 120.1° |
| C19 | C20 | C21 | H14 | 63.7° | 60.0° |
| C11 | C10 | C8 | C9 | 0.2° | 0.0° |
| C10 | C11 | N7 | C4 | 178.9° | 179.9° |
| C10 | C11 | N7 | C9 | 0.4° | 0.2° |
| C11 | C10 | C8 | H3 | 179.8° | 179.9° |
| C10 | C11 | C12 | H5 | 179.7° | 180.0° |
| C8 | C10 | C11 | N7 | 0.2° | 0.1° |
| C10 | C8 | C9 | H3 | 180.0° | 179.9° |
| C10 | C8 | C9 | N7 | 0.4° | 0.2° |
| C10 | C8 | C9 | H4 | 179.6° | 179.9° |
| C11 | N7 | C9 | C8 | 0.5° | 0.3° |
| C11 | N7 | C4 | C9 | 178.3° | 179.6° |
| C11 | N7 | C4 | N3 | 16.1° | 0.3° |
| C11 | N7 | C4 | C5 | 166.6° | 179.7° |
| C11 | N7 | C9 | H4 | 179.5° | 179.8° |
| N7 | C11 | C12 | H5 | 0.1° | 0.3° |
| C19 | C18 | N17 | H9 | 119.2° | 120.0° |
| C19 | C18 | N17 | C2 | 82.7° | 155.0° |
| C19 | C18 | N17 | H8 | 38.8° | 25.0° |
| C18 | C19 | H10 | H11 | 119.4° | 120.0° |
| C18 | C19 | C20 | H12 | 64.1° | 180.0° |
| C18 | C19 | C20 | H13 | 176.2° | 59.9° |
| C19 | C18 | C23 | H17 | 62.2° | 179.9° |
| C19 | C18 | C23 | H18 | 177.8° | 60.0° |
| C18 | N17 | C2 | H8 | 121.5° | 180.0° |
| C18 | N17 | C2 | N3 | 5.4° | 179.9° |
| C18 | N17 | C2 | N1 | 174.4° | 0.0° |
| N17 | C18 | C19 | H10 | 62.2° | 60.0° |
| N17 | C18 | C19 | H11 | 57.4° | 60.0° |
| N17 | C18 | C23 | H17 | 59.2° | 59.9° |
| N17 | C18 | C23 | H18 | 60.8° | 60.0° |
| C8 | C9 | N7 | C4 | 179.1° | 179.9° |
| C8 | C9 | N7 | H4 | 180.0° | 179.9° |
| N7 | C4 | N3 | C5 | 177.3° | 180.0° |
| N7 | C4 | N3 | C2 | 178.8° | 180.0° |
| N7 | C4 | C5 | C6 | 179.1° | 180.0° |
| N7 | C4 | C5 | H1 | 0.9° | 0.0° |
| C4 | N7 | C9 | H4 | 0.9° | 0.1° |
| C9 | N7 | C4 | N3 | 162.2° | 180.0° |
| C9 | N7 | C4 | C5 | 15.0° | 0.0° |
| N7 | C9 | C8 | H3 | 179.6° | 179.9° |
| N17 | C2 | N3 | C4 | 179.5° | 180.0° |
| N17 | C2 | N3 | N1 | 179.8° | 179.9° |
| N17 | C2 | N1 | C6 | 180.0° | 180.0° |
| C2 | N17 | C18 | H9 | 36.5° | 35.0° |
| C4 | N3 | C2 | N1 | 0.7° | 0.1° |
| N3 | C4 | C5 | C6 | 1.8° | 0.0° |
| N3 | C4 | C5 | H1 | 178.2° | 180.0° |
| C2 | N3 | C4 | C5 | 1.5° | 0.0° |
| N3 | C2 | N1 | C6 | 0.1° | 0.1° |
| N3 | C2 | N17 | H8 | 126.9° | 0.0° |
| C4 | C5 | C6 | N1 | 1.2° | 0.0° |
| C4 | C5 | C6 | H1 | 180.0° | 180.0° |
| C4 | C5 | C6 | H2 | 178.8° | 179.9° |
| C2 | N1 | C6 | C5 | 0.4° | 0.1° |
| C2 | N1 | C6 | H2 | 179.6° | 180.0° |
| N1 | C2 | N17 | H8 | 52.9° | 180.0° |
| N1 | C6 | C5 | H2 | 180.0° | 179.9° |
| N1 | C6 | C5 | H1 | 178.7° | 180.0° |
| H1 | C5 | C6 | H2 | 1.3° | 0.1° |
| H3 | C8 | C9 | H4 | 0.4° | 0.0° |
| H5 | C12 | C13 | H6 | 0.2° | 0.0° |
| H6 | C13 | C14 | H7 | 0.4° | 0.0° |
| H8 | N17 | C18 | H9 | 158.0° | 144.9° |
| H9 | C18 | C19 | H10 | 57.6° | 180.0° |
| H9 | C18 | C19 | H11 | 177.2° | 59.9° |
| H9 | C18 | C23 | H17 | 178.6° | 60.1° |
| H9 | C18 | C23 | H18 | 58.6° | 180.0° |
| H10 | C19 | C20 | H12 | 56.1° | 60.0° |
| H10 | C19 | C20 | H13 | 63.6° | 180.0° |
| H11 | C19 | C20 | H12 | 175.7° | 60.0° |
| H11 | C19 | C20 | H13 | 56.0° | 60.0° |
| H12 | C20 | C21 | H14 | 176.1° | 60.0° |
| H13 | C20 | C21 | H14 | 56.5° | 180.0° |
| H14 | C21 | C22 | H15 | 58.3° | 60.0° |
| H14 | C21 | C22 | H16 | 178.0° | 180.0° |
| H14 | C21 | O24 | H19 | 59.0° | 60.0° |
| H15 | C22 | C23 | H17 | 59.4° | 59.9° |
| H15 | C22 | C23 | H18 | 60.6° | 60.1° |
| H16 | C22 | C23 | H17 | 179.1° | 60.0° |
| H16 | C22 | C23 | H18 | 59.0° | 180.0° |
| H20 | C25 | C26 | H22 | 178.8° | 59.2° |
| H20 | C25 | C26 | H23 | 58.8° | 60.8° |
| H21 | C25 | C26 | H22 | 58.4° | 179.2° |
| H21 | C25 | C26 | H23 | 61.6° | 59.1° |
| H22 | C26 | C27 | H24 | 175.9° | 177.8° |
| H23 | C26 | C27 | H24 | 55.9° | 57.6° |
| H24 | C27 | C28 | H25 | 175.9° | 177.8° |
| H24 | C27 | C28 | H26 | 56.1° | 57.7° |
| H25 | C28 | C29 | H27 | 178.5° | 179.2° |
| H25 | C28 | C29 | H28 | 57.9° | 59.1° |
| H26 | C28 | C29 | H27 | 58.7° | 59.2° |
| H26 | C28 | C29 | H28 | 61.9° | 60.8° |
| H29 | C33 | H30 | H31 | 120.0° | 120.0° |
