H9M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| C | C1 | sing | 1.53Å | 1.52Å | |
| C1 | C3 | sing | 1.51Å | 1.51Å | |
| C3 | C30 | doub | 1.39Å | 1.42Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.41Å | Aromatic |
| C30 | C29 | sing | 1.36Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C29 | C6 | doub | 1.41Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.42Å | Aromatic |
| C5 | S | sing | 1.76Å | 1.70Å | Aromatic |
| C6 | N | sing | 1.35Å | 1.42Å | Aromatic |
| S | C7 | sing | 1.71Å | 1.78Å | Aromatic |
| N | C7 | doub | 1.28Å | 1.30Å | Aromatic |
| C7 | C8 | sing | 1.51Å | 1.47Å | |
| C11 | C10 | sing | 1.51Å | 1.52Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C10 | N1 | sing | 1.35Å | 1.40Å | |
| C10 | O | doub | 1.21Å | 1.21Å | |
| N1 | C9 | sing | 1.46Å | 1.47Å | |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| C9 | C13 | sing | 1.51Å | 1.55Å | |
| C13 | O2 | doub | 1.21Å | 1.23Å | |
| C13 | N2 | sing | 1.35Å | 1.38Å | |
| C22 | C17 | sing | 1.53Å | 1.52Å | |
| N2 | C14 | sing | 1.46Å | 1.49Å | |
| C28 | C27 | sing | 1.53Å | 1.51Å | |
| C28 | C23 | sing | 1.53Å | 1.56Å | |
| C17 | C18 | sing | 1.53Å | 1.55Å | |
| C17 | C16 | sing | 1.51Å | 1.52Å | |
| C27 | C26 | sing | 1.53Å | 1.52Å | |
| C14 | C23 | sing | 1.53Å | 1.57Å | |
| C14 | C15 | sing | 1.53Å | 1.59Å | |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| N3 | C16 | sing | 1.35Å | 1.39Å | |
| N3 | C15 | sing | 1.46Å | 1.45Å | |
| C18 | C19 | sing | 1.53Å | 1.56Å | |
| C16 | O1 | doub | 1.21Å | 1.24Å | |
| C19 | N4 | sing | 1.47Å | 1.50Å | |
| C26 | C25 | sing | 1.53Å | 1.53Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| N4 | C20 | sing | 1.47Å | 1.49Å | |
| N4 | C21 | sing | 1.47Å | 1.50Å | |
| C4 | H9 | sing | 1.08Å | 1.08Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C | H4 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H | sing | 1.09Å | 1.10Å | |
| C14 | H1 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| N2 | H18 | sing | 0.97Å | 1.00Å | |
| C23 | H34 | sing | 1.09Å | 1.10Å | |
| C28 | H44 | sing | 1.09Å | 1.10Å | |
| C28 | H43 | sing | 1.09Å | 1.10Å | |
| C27 | H42 | sing | 1.09Å | 1.10Å | |
| C27 | H41 | sing | 1.09Å | 1.10Å | |
| C26 | H39 | sing | 1.09Å | 1.10Å | |
| C26 | H40 | sing | 1.09Å | 1.10Å | |
| C25 | H37 | sing | 1.09Å | 1.10Å | |
| C25 | H38 | sing | 1.09Å | 1.10Å | |
| C24 | H36 | sing | 1.09Å | 1.10Å | |
| C24 | H35 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| N3 | H21 | sing | 0.97Å | 1.00Å | |
| C17 | H47 | sing | 1.09Å | 1.10Å | |
| C22 | H48 | sing | 1.09Å | 1.10Å | |
| C22 | H33 | sing | 1.09Å | 1.10Å | |
| C22 | H32 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C21 | H31 | sing | 1.09Å | 1.10Å | |
| C21 | H29 | sing | 1.09Å | 1.10Å | |
| C21 | H30 | sing | 1.09Å | 1.10Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| C20 | H28 | sing | 1.09Å | 1.10Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| N1 | H12 | sing | 0.97Å | 1.00Å | |
| C29 | H45 | sing | 1.08Å | 1.08Å | |
| C30 | H46 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C | 109.4° | 109.5° |
| C2 | C1 | C3 | 110.7° | 109.5° |
| C1 | C2 | H7 | 109.5° | 109.5° |
| C1 | C2 | H6 | 109.5° | 109.4° |
| C1 | C2 | H8 | 109.4° | 109.5° |
| C2 | C1 | H5 | 107.5° | 109.5° |
| C | C1 | C3 | 114.3° | 109.5° |
| C | C1 | H5 | 107.3° | 109.5° |
| C1 | C | H4 | 109.5° | 109.5° |
| C1 | C | H2 | 109.5° | 109.4° |
| C1 | C | H3 | 109.4° | 109.4° |
| C1 | C3 | C30 | 118.3° | 120.0° |
| C1 | C3 | C4 | 122.1° | 120.0° |
| C3 | C1 | H5 | 107.4° | 109.4° |
| C30 | C3 | C4 | 119.6° | 120.1° |
| C3 | C30 | C29 | 121.7° | 120.8° |
| C3 | C30 | H46 | 119.1° | 119.6° |
| C3 | C4 | C5 | 118.4° | 119.9° |
| C3 | C4 | H9 | 120.8° | 120.0° |
| C30 | C29 | C6 | 118.3° | 120.4° |
| C30 | C29 | H45 | 120.8° | 119.8° |
| C29 | C30 | H46 | 119.2° | 119.6° |
| C4 | C5 | C6 | 121.6° | 120.3° |
| C4 | C5 | S | 128.2° | 131.7° |
| C5 | C4 | H9 | 120.8° | 120.0° |
| C29 | C6 | C5 | 120.4° | 118.5° |
| C29 | C6 | N | 124.2° | 129.7° |
| C6 | C29 | H45 | 120.8° | 119.8° |
| C6 | C5 | S | 110.2° | 108.0° |
| C5 | C6 | N | 115.4° | 111.8° |
| C5 | S | C7 | 89.0° | 90.8° |
| C6 | N | C7 | 108.6° | 117.9° |
| S | C7 | N | 116.8° | 111.5° |
| S | C7 | C8 | 116.9° | 124.2° |
| N | C7 | C8 | 126.2° | 124.2° |
| C7 | C8 | C9 | 110.6° | 109.5° |
| C7 | C8 | H11 | 109.2° | 109.4° |
| C7 | C8 | H10 | 109.2° | 109.5° |
| C10 | C11 | C12 | 106.8° | 109.5° |
| C11 | C10 | N1 | 118.4° | 120.0° |
| C11 | C10 | O | 119.7° | 120.1° |
| C10 | C11 | H14 | 110.1° | 109.5° |
| C10 | C11 | H13 | 110.1° | 109.5° |
| C11 | C12 | H16 | 109.5° | 109.4° |
| C11 | C12 | H17 | 109.4° | 109.4° |
| C11 | C12 | H15 | 109.5° | 109.5° |
| C12 | C11 | H14 | 110.1° | 109.5° |
| C12 | C11 | H13 | 110.2° | 109.4° |
| N1 | C10 | O | 121.9° | 120.0° |
| C10 | N1 | C9 | 124.3° | 120.0° |
| C10 | N1 | H12 | 117.9° | 120.0° |
| N1 | C9 | C8 | 110.6° | 109.5° |
| N1 | C9 | C13 | 106.2° | 109.5° |
| N1 | C9 | H | 111.3° | 109.5° |
| C9 | N1 | H12 | 117.9° | 120.0° |
| C8 | C9 | C13 | 108.0° | 109.4° |
| C9 | C8 | H11 | 109.2° | 109.5° |
| C9 | C8 | H10 | 109.2° | 109.5° |
| C8 | C9 | H | 110.3° | 109.5° |
| C9 | C13 | O2 | 121.8° | 120.0° |
| C9 | C13 | N2 | 115.1° | 120.1° |
| C13 | C9 | H | 110.2° | 109.5° |
| O2 | C13 | N2 | 123.0° | 120.0° |
| C13 | N2 | C14 | 124.6° | 120.1° |
| C13 | N2 | H18 | 117.7° | 119.9° |
| C22 | C17 | C18 | 114.7° | 109.5° |
| C22 | C17 | C16 | 110.6° | 109.5° |
| C22 | C17 | H47 | 104.9° | 109.5° |
| C17 | C22 | H48 | 109.5° | 109.5° |
| C17 | C22 | H33 | 109.5° | 109.5° |
| C17 | C22 | H32 | 109.5° | 109.4° |
| N2 | C14 | C23 | 105.1° | 109.5° |
| N2 | C14 | C15 | 111.8° | 109.5° |
| N2 | C14 | H1 | 108.5° | 109.4° |
| C14 | N2 | H18 | 117.7° | 120.0° |
| C27 | C28 | C23 | 112.6° | 109.5° |
| C28 | C27 | C26 | 108.0° | 109.5° |
| C27 | C28 | H44 | 108.7° | 109.5° |
| C27 | C28 | H43 | 108.7° | 109.4° |
| C28 | C27 | H42 | 109.8° | 109.5° |
| C28 | C27 | H41 | 109.8° | 109.4° |
| C28 | C23 | C14 | 106.7° | 109.4° |
| C28 | C23 | C24 | 110.1° | 109.4° |
| C28 | C23 | H34 | 109.4° | 109.5° |
| C23 | C28 | H44 | 108.7° | 109.5° |
| C23 | C28 | H43 | 108.7° | 109.5° |
| C18 | C17 | C16 | 115.9° | 109.5° |
| C17 | C18 | C19 | 109.1° | 109.5° |
| C18 | C17 | H47 | 104.6° | 109.4° |
| C17 | C18 | H23 | 109.6° | 109.4° |
| C17 | C18 | H22 | 109.5° | 109.5° |
| C17 | C16 | N3 | 113.6° | 120.0° |
| C17 | C16 | O1 | 122.8° | 120.0° |
| C16 | C17 | H47 | 104.9° | 109.5° |
| C27 | C26 | C25 | 108.2° | 109.5° |
| C26 | C27 | H42 | 109.9° | 109.5° |
| C26 | C27 | H41 | 109.8° | 109.5° |
| C27 | C26 | H39 | 109.8° | 109.5° |
| C27 | C26 | H40 | 109.8° | 109.5° |
| C23 | C14 | C15 | 116.5° | 109.5° |
| C14 | C23 | C24 | 111.6° | 109.5° |
| C23 | C14 | H1 | 107.5° | 109.5° |
| C14 | C23 | H34 | 109.4° | 109.5° |
| C14 | C15 | N3 | 111.0° | 109.5° |
| C15 | C14 | H1 | 107.2° | 109.5° |
| C14 | C15 | H20 | 109.1° | 109.4° |
| C14 | C15 | H19 | 109.1° | 109.4° |
| C23 | C24 | C25 | 111.4° | 109.4° |
| C24 | C23 | H34 | 109.6° | 109.5° |
| C23 | C24 | H36 | 109.0° | 109.5° |
| C23 | C24 | H35 | 109.0° | 109.5° |
| C16 | N3 | C15 | 122.9° | 120.0° |
| N3 | C16 | O1 | 123.6° | 120.0° |
| C16 | N3 | H21 | 118.6° | 120.0° |
| N3 | C15 | H20 | 109.1° | 109.5° |
| N3 | C15 | H19 | 109.1° | 109.5° |
| C15 | N3 | H21 | 118.5° | 120.0° |
| C18 | C19 | N4 | 110.5° | 109.5° |
| C19 | C18 | H23 | 109.6° | 109.5° |
| C19 | C18 | H22 | 109.6° | 109.5° |
| C18 | C19 | H25 | 109.2° | 109.5° |
| C18 | C19 | H24 | 109.2° | 109.4° |
| C19 | N4 | C20 | 109.0° | 111.0° |
| C19 | N4 | C21 | 112.1° | 111.0° |
| N4 | C19 | H25 | 109.2° | 109.5° |
| N4 | C19 | H24 | 109.2° | 109.5° |
| C26 | C25 | C24 | 111.0° | 109.5° |
| C25 | C26 | H39 | 109.8° | 109.5° |
| C25 | C26 | H40 | 109.8° | 109.5° |
| C26 | C25 | H37 | 109.1° | 109.5° |
| C26 | C25 | H38 | 109.1° | 109.5° |
| C24 | C25 | H37 | 109.1° | 109.5° |
| C24 | C25 | H38 | 109.1° | 109.5° |
| C25 | C24 | H36 | 109.0° | 109.5° |
| C25 | C24 | H35 | 109.0° | 109.4° |
| C20 | N4 | C21 | 111.0° | 111.0° |
| N4 | C20 | H27 | 109.5° | 109.5° |
| N4 | C20 | H28 | 109.4° | 109.5° |
| N4 | C20 | H26 | 109.5° | 109.4° |
| N4 | C21 | H31 | 109.5° | 109.4° |
| N4 | C21 | H29 | 109.5° | 109.5° |
| N4 | C21 | H30 | 109.4° | 109.5° |
| H7 | C2 | H6 | 109.5° | 109.5° |
| H7 | C2 | H8 | 109.5° | 109.5° |
| H6 | C2 | H8 | 109.5° | 109.4° |
| H4 | C | H2 | 109.5° | 109.5° |
| H4 | C | H3 | 109.5° | 109.5° |
| H2 | C | H3 | 109.5° | 109.5° |
| H11 | C8 | H10 | 109.5° | 109.5° |
| H16 | C12 | H17 | 109.5° | 109.4° |
| H16 | C12 | H15 | 109.5° | 109.5° |
| H17 | C12 | H15 | 109.5° | 109.6° |
| H14 | C11 | H13 | 109.4° | 109.5° |
| H44 | C28 | H43 | 109.4° | 109.4° |
| H42 | C27 | H41 | 109.5° | 109.5° |
| H39 | C26 | H40 | 109.4° | 109.4° |
| H37 | C25 | H38 | 109.5° | 109.4° |
| H36 | C24 | H35 | 109.4° | 109.5° |
| H20 | C15 | H19 | 109.5° | 109.5° |
| H48 | C22 | H33 | 109.5° | 109.5° |
| H48 | C22 | H32 | 109.4° | 109.5° |
| H33 | C22 | H32 | 109.5° | 109.5° |
| H23 | C18 | H22 | 109.4° | 109.5° |
| H25 | C19 | H24 | 109.5° | 109.5° |
| H31 | C21 | H29 | 109.5° | 109.5° |
| H31 | C21 | H30 | 109.5° | 109.5° |
| H29 | C21 | H30 | 109.5° | 109.4° |
| H27 | C20 | H28 | 109.5° | 109.5° |
| H27 | C20 | H26 | 109.4° | 109.5° |
| H28 | C20 | H26 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C | C3 | 124.7° | 120.0° |
| C2 | C1 | C | H5 | 116.3° | 120.0° |
| C2 | C1 | C3 | H5 | 117.0° | 120.0° |
| C2 | C1 | C3 | C30 | 86.8° | 60.0° |
| C2 | C1 | C3 | C4 | 93.2° | 120.0° |
| C1 | C2 | H7 | H6 | 120.0° | 120.0° |
| C1 | C2 | H7 | H8 | 120.0° | 120.0° |
| C1 | C2 | H6 | H8 | 120.0° | 120.0° |
| C2 | C1 | C | H4 | 180.0° | 180.0° |
| C2 | C1 | C | H2 | 60.0° | 60.0° |
| C2 | C1 | C | H3 | 60.0° | 60.0° |
| C | C1 | C3 | H5 | 119.0° | 120.0° |
| C | C1 | C3 | C30 | 149.3° | 60.0° |
| C | C1 | C3 | C4 | 30.8° | 120.0° |
| C | C1 | C2 | H7 | 180.0° | 60.0° |
| C | C1 | C2 | H6 | 60.0° | 60.0° |
| C | C1 | C2 | H8 | 60.0° | 180.0° |
| C1 | C | H4 | H2 | 120.0° | 120.0° |
| C1 | C | H4 | H3 | 120.0° | 120.0° |
| C1 | C | H2 | H3 | 120.0° | 119.9° |
| C1 | C3 | C30 | C4 | 180.0° | 180.0° |
| C1 | C3 | C30 | C29 | 179.9° | 179.9° |
| C1 | C3 | C4 | C5 | 179.3° | 180.0° |
| C1 | C3 | C4 | H9 | 0.7° | 0.0° |
| C3 | C1 | C2 | H7 | 53.3° | 60.0° |
| C3 | C1 | C2 | H6 | 66.8° | 179.9° |
| C3 | C1 | C2 | H8 | 173.2° | 60.0° |
| C3 | C1 | C | H4 | 55.3° | 60.0° |
| C3 | C1 | C | H2 | 175.3° | 180.0° |
| C3 | C1 | C | H3 | 64.7° | 60.0° |
| C1 | C3 | C30 | H46 | 0.1° | 0.0° |
| C3 | C30 | C29 | H46 | 180.0° | 179.9° |
| C30 | C3 | C4 | C5 | 0.7° | 0.1° |
| C3 | C30 | C29 | C6 | 0.6° | 0.1° |
| C30 | C3 | C4 | H9 | 179.3° | 180.0° |
| C30 | C3 | C1 | H5 | 30.3° | 180.0° |
| C3 | C30 | C29 | H45 | 179.4° | 179.9° |
| C4 | C3 | C30 | C29 | 0.2° | 0.1° |
| C3 | C4 | C5 | H9 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.4° | 0.0° |
| C3 | C4 | C5 | S | 177.7° | 180.0° |
| C4 | C3 | C1 | H5 | 149.8° | 0.0° |
| C4 | C3 | C30 | H46 | 179.8° | 180.0° |
| C30 | C29 | C6 | H45 | 180.0° | 179.8° |
| C30 | C29 | C6 | C5 | 0.9° | 0.1° |
| C30 | C29 | C6 | N | 177.6° | 180.0° |
| C4 | C5 | C6 | C29 | 0.4° | 0.0° |
| C4 | C5 | C6 | S | 178.5° | 179.9° |
| C4 | C5 | C6 | N | 178.2° | 180.0° |
| C4 | C5 | S | C7 | 177.7° | 180.0° |
| C29 | C6 | C5 | N | 178.6° | 180.0° |
| C29 | C6 | C5 | S | 178.9° | 180.0° |
| C29 | C6 | N | C7 | 178.1° | 180.0° |
| C6 | C29 | C30 | H46 | 179.4° | 180.0° |
| C6 | C5 | S | C7 | 0.6° | 0.0° |
| C5 | C6 | N | C7 | 0.5° | 0.0° |
| C6 | C5 | C4 | H9 | 179.6° | 180.0° |
| C5 | C6 | C29 | H45 | 179.1° | 179.9° |
| S | C5 | C6 | N | 0.2° | 0.0° |
| C5 | S | C7 | N | 1.0° | 0.0° |
| C5 | S | C7 | C8 | 177.5° | 180.0° |
| S | C5 | C4 | H9 | 2.3° | 0.1° |
| C6 | N | C7 | S | 1.0° | 0.0° |
| C6 | N | C7 | C8 | 177.4° | 180.0° |
| N | C6 | C29 | H45 | 2.4° | 0.1° |
| S | C7 | N | C8 | 178.4° | 180.0° |
| S | C7 | C8 | C9 | 90.8° | 90.0° |
| S | C7 | C8 | H11 | 149.0° | 30.0° |
| S | C7 | C8 | H10 | 29.4° | 150.0° |
| N | C7 | C8 | C9 | 90.8° | 90.0° |
| N | C7 | C8 | H11 | 29.4° | 150.0° |
| N | C7 | C8 | H10 | 149.0° | 30.1° |
| C7 | C8 | C9 | N1 | 53.8° | 65.0° |
| C7 | C8 | C9 | H11 | 120.2° | 120.0° |
| C7 | C8 | C9 | H10 | 120.2° | 120.0° |
| C7 | C8 | C9 | C13 | 169.6° | 175.0° |
| C7 | C8 | H11 | H10 | 119.4° | 119.9° |
| C7 | C8 | C9 | H | 69.9° | 55.0° |
| C10 | C11 | C12 | H14 | 119.6° | 120.0° |
| C10 | C11 | C12 | H13 | 119.6° | 120.0° |
| C11 | C10 | N1 | O | 179.4° | 180.0° |
| C11 | C10 | N1 | C9 | 179.0° | 180.0° |
| C10 | C11 | C12 | H16 | 180.0° | 60.0° |
| C10 | C11 | C12 | H17 | 60.0° | 59.9° |
| C10 | C11 | C12 | H15 | 60.0° | 180.0° |
| C10 | C11 | H14 | H13 | 121.2° | 120.1° |
| C11 | C10 | N1 | H12 | 1.0° | 0.1° |
| C12 | C11 | C10 | N1 | 111.8° | 180.0° |
| C12 | C11 | C10 | O | 68.8° | 0.0° |
| C11 | C12 | H16 | H17 | 120.0° | 119.9° |
| C11 | C12 | H16 | H15 | 120.0° | 120.0° |
| C11 | C12 | H17 | H15 | 120.0° | 120.0° |
| C12 | C11 | H14 | H13 | 121.2° | 119.9° |
| C10 | N1 | C9 | H12 | 180.0° | 179.9° |
| C10 | N1 | C9 | C8 | 142.0° | 60.0° |
| C10 | N1 | C9 | C13 | 101.0° | 60.0° |
| C10 | N1 | C9 | H | 19.0° | 180.0° |
| N1 | C10 | C11 | H14 | 7.8° | 60.0° |
| N1 | C10 | C11 | H13 | 128.6° | 60.1° |
| O | C10 | N1 | C9 | 1.6° | 0.0° |
| O | C10 | C11 | H14 | 171.6° | 120.0° |
| O | C10 | C11 | H13 | 50.8° | 119.9° |
| O | C10 | N1 | H12 | 178.4° | 179.9° |
| N1 | C9 | C8 | C13 | 115.9° | 120.0° |
| N1 | C9 | C8 | H | 123.6° | 120.0° |
| N1 | C9 | C13 | H | 120.7° | 120.0° |
| N1 | C9 | C13 | O2 | 66.5° | 20.0° |
| N1 | C9 | C13 | N2 | 112.1° | 160.0° |
| N1 | C9 | C8 | H11 | 174.0° | 175.0° |
| N1 | C9 | C8 | H10 | 66.4° | 55.0° |
| C8 | C9 | C13 | H | 120.6° | 120.0° |
| C8 | C9 | C13 | O2 | 52.2° | 100.0° |
| C8 | C9 | C13 | N2 | 129.1° | 80.0° |
| C9 | C8 | H11 | H10 | 119.5° | 120.1° |
| C8 | C9 | N1 | H12 | 38.0° | 119.9° |
| C9 | C13 | O2 | N2 | 178.5° | 179.9° |
| C9 | C13 | N2 | C14 | 176.6° | 180.0° |
| C13 | C9 | C8 | H11 | 70.2° | 55.0° |
| C13 | C9 | C8 | H10 | 49.5° | 65.0° |
| C9 | C13 | N2 | H18 | 3.4° | 0.1° |
| C13 | C9 | N1 | H12 | 79.0° | 120.1° |
| O2 | C13 | N2 | C14 | 2.0° | 0.0° |
| O2 | C13 | C9 | H | 172.8° | 140.0° |
| O2 | C13 | N2 | H18 | 178.0° | 180.0° |
| C13 | N2 | C14 | H18 | 180.0° | 180.0° |
| C13 | N2 | C14 | C23 | 121.6° | 85.0° |
| C13 | N2 | C14 | C15 | 111.2° | 155.0° |
| N2 | C13 | C9 | H | 8.6° | 40.0° |
| C13 | N2 | C14 | H1 | 6.9° | 35.0° |
| C22 | C17 | C18 | C16 | 130.7° | 120.0° |
| C22 | C17 | C18 | H47 | 114.3° | 120.0° |
| C22 | C17 | C16 | H47 | 112.5° | 120.0° |
| C22 | C17 | C16 | N3 | 72.4° | 60.0° |
| C22 | C17 | C18 | C19 | 125.6° | 65.0° |
| C22 | C17 | C16 | O1 | 107.0° | 120.0° |
| C17 | C22 | H48 | H33 | 120.0° | 120.0° |
| C17 | C22 | H48 | H32 | 120.0° | 119.9° |
| C17 | C22 | H33 | H32 | 120.0° | 120.0° |
| C22 | C17 | C18 | H23 | 5.7° | 55.0° |
| C22 | C17 | C18 | H22 | 114.4° | 175.0° |
| N2 | C14 | C23 | C28 | 65.7° | 60.0° |
| N2 | C14 | C23 | C15 | 124.4° | 120.0° |
| N2 | C14 | C23 | H1 | 115.4° | 120.0° |
| N2 | C14 | C15 | H1 | 118.8° | 120.0° |
| N2 | C14 | C23 | C24 | 174.0° | 60.0° |
| N2 | C14 | C15 | N3 | 34.3° | 55.0° |
| N2 | C14 | C23 | H34 | 52.5° | 180.0° |
| N2 | C14 | C15 | H20 | 86.0° | 175.0° |
| N2 | C14 | C15 | H19 | 154.5° | 65.0° |
| C27 | C28 | C23 | H44 | 120.5° | 120.1° |
| C27 | C28 | C23 | H43 | 120.5° | 119.9° |
| C28 | C27 | C26 | H42 | 119.7° | 120.0° |
| C28 | C27 | C26 | H41 | 119.8° | 120.0° |
| C27 | C28 | C23 | C14 | 174.1° | 180.0° |
| C27 | C28 | C23 | C24 | 52.9° | 60.0° |
| C28 | C27 | C26 | C25 | 64.2° | 60.0° |
| C27 | C28 | C23 | H34 | 67.6° | 60.0° |
| C27 | C28 | H44 | H43 | 118.6° | 119.9° |
| C28 | C27 | H42 | H41 | 120.7° | 120.0° |
| C28 | C27 | C26 | H39 | 55.7° | 60.0° |
| C28 | C27 | C26 | H40 | 176.0° | 180.0° |
| C23 | C28 | C27 | C26 | 60.4° | 60.0° |
| C28 | C23 | C14 | C24 | 120.3° | 119.9° |
| C28 | C23 | C14 | H34 | 118.2° | 120.0° |
| C28 | C23 | C14 | C15 | 169.9° | 60.0° |
| C28 | C23 | C24 | H34 | 120.4° | 120.0° |
| C28 | C23 | C24 | C25 | 49.5° | 60.0° |
| C28 | C23 | C14 | H1 | 49.7° | 179.9° |
| C23 | C28 | H44 | H43 | 118.6° | 120.0° |
| C23 | C28 | C27 | H42 | 179.8° | 179.9° |
| C23 | C28 | C27 | H41 | 59.3° | 60.0° |
| C28 | C23 | C24 | H36 | 169.8° | 180.0° |
| C28 | C23 | C24 | H35 | 70.8° | 59.9° |
| C18 | C17 | C16 | H47 | 114.8° | 120.0° |
| C18 | C17 | C16 | N3 | 155.0° | 180.0° |
| C17 | C18 | C19 | H23 | 120.0° | 120.0° |
| C17 | C18 | C19 | H22 | 119.9° | 120.0° |
| C18 | C17 | C16 | O1 | 25.6° | 0.0° |
| C17 | C18 | C19 | N4 | 155.5° | 180.0° |
| C18 | C17 | C22 | H48 | 180.0° | 59.9° |
| C18 | C17 | C22 | H33 | 60.0° | 179.9° |
| C18 | C17 | C22 | H32 | 60.0° | 60.0° |
| C17 | C18 | H23 | H22 | 120.1° | 120.0° |
| C17 | C18 | C19 | H25 | 35.4° | 60.0° |
| C17 | C18 | C19 | H24 | 84.3° | 60.0° |
| C17 | C16 | N3 | O1 | 179.4° | 180.0° |
| C17 | C16 | N3 | C15 | 176.4° | 180.0° |
| C16 | C17 | C18 | C19 | 103.6° | 175.0° |
| C17 | C16 | N3 | H21 | 3.5° | 0.0° |
| C16 | C17 | C22 | H48 | 46.8° | 180.0° |
| C16 | C17 | C22 | H33 | 73.3° | 60.0° |
| C16 | C17 | C22 | H32 | 166.7° | 60.0° |
| C16 | C17 | C18 | H23 | 136.4° | 65.0° |
| C16 | C17 | C18 | H22 | 16.3° | 54.9° |
| C27 | C26 | C25 | H39 | 119.8° | 120.0° |
| C27 | C26 | C25 | H40 | 119.8° | 120.0° |
| C27 | C26 | C25 | C24 | 63.2° | 60.0° |
| C26 | C27 | C28 | H44 | 179.1° | 60.1° |
| C26 | C27 | C28 | H43 | 60.1° | 180.0° |
| C26 | C27 | H42 | H41 | 120.7° | 120.0° |
| C27 | C26 | H39 | H40 | 120.6° | 120.0° |
| C27 | C26 | C25 | H37 | 176.5° | 180.0° |
| C27 | C26 | C25 | H38 | 57.0° | 60.0° |
| C23 | C14 | C15 | H1 | 120.3° | 120.0° |
| C14 | C23 | C24 | H34 | 121.3° | 120.0° |
| C23 | C14 | C15 | N3 | 86.6° | 175.0° |
| C14 | C23 | C24 | C25 | 167.8° | 180.0° |
| C23 | C14 | N2 | H18 | 58.4° | 95.0° |
| C14 | C23 | C28 | H44 | 65.4° | 59.9° |
| C14 | C23 | C28 | H43 | 53.7° | 60.1° |
| C14 | C23 | C24 | H36 | 71.8° | 60.0° |
| C14 | C23 | C24 | H35 | 47.5° | 60.0° |
| C23 | C14 | C15 | H20 | 153.1° | 65.0° |
| C23 | C14 | C15 | H19 | 33.6° | 55.0° |
| C15 | C14 | C23 | C24 | 49.6° | 180.0° |
| C14 | C15 | N3 | C16 | 148.7° | 180.0° |
| C14 | C15 | N3 | H20 | 120.3° | 119.9° |
| C14 | C15 | N3 | H19 | 120.2° | 120.0° |
| C15 | C14 | N2 | H18 | 68.8° | 25.0° |
| C15 | C14 | C23 | H34 | 71.9° | 60.0° |
| C14 | C15 | H20 | H19 | 119.3° | 119.9° |
| C14 | C15 | N3 | H21 | 31.2° | 0.0° |
| C23 | C24 | C25 | C26 | 56.1° | 60.0° |
| C23 | C24 | C25 | H36 | 120.3° | 120.0° |
| C23 | C24 | C25 | H35 | 120.3° | 120.0° |
| C24 | C23 | C14 | H1 | 70.6° | 60.0° |
| C24 | C23 | C28 | H44 | 173.3° | 60.0° |
| C24 | C23 | C28 | H43 | 67.6° | 180.0° |
| C23 | C24 | C25 | H37 | 176.3° | 180.0° |
| C23 | C24 | C25 | H38 | 64.1° | 60.0° |
| C23 | C24 | H36 | H35 | 119.1° | 120.0° |
| C16 | N3 | C15 | H21 | 180.0° | 180.0° |
| C16 | N3 | C15 | H20 | 28.5° | 60.1° |
| C16 | N3 | C15 | H19 | 91.1° | 60.0° |
| N3 | C16 | C17 | H47 | 40.2° | 60.0° |
| C15 | N3 | C16 | O1 | 3.0° | 0.0° |
| N3 | C15 | C14 | H1 | 153.0° | 65.0° |
| N3 | C15 | H20 | H19 | 119.3° | 120.1° |
| C18 | C19 | N4 | H25 | 120.1° | 120.0° |
| C18 | C19 | N4 | H24 | 120.2° | 120.0° |
| C18 | C19 | N4 | C20 | 161.0° | 170.0° |
| C18 | C19 | N4 | C21 | 75.7° | 66.0° |
| C19 | C18 | C17 | H47 | 11.3° | 55.0° |
| C19 | C18 | H23 | H22 | 120.2° | 120.0° |
| C18 | C19 | H25 | H24 | 119.5° | 119.9° |
| O1 | C16 | N3 | H21 | 177.1° | 180.0° |
| O1 | C16 | C17 | H47 | 140.4° | 120.0° |
| C19 | N4 | C20 | C21 | 123.9° | 124.0° |
| N4 | C19 | C18 | H23 | 84.5° | 60.0° |
| N4 | C19 | C18 | H22 | 35.6° | 60.0° |
| N4 | C19 | H25 | H24 | 119.6° | 120.0° |
| C19 | N4 | C21 | H31 | 180.0° | 60.0° |
| C19 | N4 | C21 | H29 | 60.0° | 180.0° |
| C19 | N4 | C21 | H30 | 60.0° | 60.0° |
| C19 | N4 | C20 | H27 | 180.0° | 60.0° |
| C19 | N4 | C20 | H28 | 60.0° | 180.0° |
| C19 | N4 | C20 | H26 | 60.0° | 60.0° |
| C26 | C25 | C24 | H37 | 120.3° | 120.0° |
| C26 | C25 | C24 | H38 | 120.2° | 120.0° |
| C25 | C26 | C27 | H42 | 176.1° | 180.0° |
| C25 | C26 | C27 | H41 | 55.6° | 60.0° |
| C25 | C26 | H39 | H40 | 120.6° | 120.0° |
| C26 | C25 | H37 | H38 | 119.3° | 120.0° |
| C26 | C25 | C24 | H36 | 176.4° | 180.0° |
| C26 | C25 | C24 | H35 | 64.2° | 60.0° |
| C25 | C24 | C23 | H34 | 70.8° | 60.0° |
| C24 | C25 | C26 | H39 | 56.6° | 60.0° |
| C24 | C25 | C26 | H40 | 176.9° | 180.0° |
| C24 | C25 | H37 | H38 | 119.3° | 120.0° |
| C25 | C24 | H36 | H35 | 119.1° | 120.0° |
| C20 | N4 | C19 | H25 | 78.8° | 70.0° |
| C20 | N4 | C19 | H24 | 40.9° | 50.0° |
| C20 | N4 | C21 | H31 | 57.9° | 64.0° |
| C20 | N4 | C21 | H29 | 177.9° | 56.0° |
| C20 | N4 | C21 | H30 | 62.2° | 176.0° |
| N4 | C20 | H27 | H28 | 120.0° | 120.0° |
| N4 | C20 | H27 | H26 | 120.0° | 120.0° |
| N4 | C20 | H28 | H26 | 120.0° | 119.9° |
| C21 | N4 | C19 | H25 | 44.4° | 54.0° |
| C21 | N4 | C19 | H24 | 164.2° | 174.0° |
| N4 | C21 | H31 | H29 | 120.0° | 120.0° |
| N4 | C21 | H31 | H30 | 120.0° | 120.0° |
| N4 | C21 | H29 | H30 | 120.0° | 120.0° |
| C21 | N4 | C20 | H27 | 56.1° | 176.0° |
| C21 | N4 | C20 | H28 | 63.9° | 56.0° |
| C21 | N4 | C20 | H26 | 176.1° | 63.9° |
| H7 | C2 | H6 | H8 | 120.0° | 120.0° |
| H7 | C2 | C1 | H5 | 63.8° | 180.0° |
| H6 | C2 | C1 | H5 | 176.2° | 60.0° |
| H8 | C2 | C1 | H5 | 56.2° | 59.9° |
| H5 | C1 | C | H4 | 63.8° | 60.0° |
| H5 | C1 | C | H2 | 56.3° | 60.0° |
| H5 | C1 | C | H3 | 176.3° | 180.0° |
| H4 | C | H2 | H3 | 120.0° | 120.0° |
| H11 | C8 | C9 | H | 50.3° | 65.0° |
| H10 | C8 | C9 | H | 170.0° | 175.0° |
| H | C9 | N1 | H12 | 161.0° | 0.1° |
| H1 | C14 | N2 | H18 | 173.1° | 145.0° |
| H1 | C14 | C23 | H34 | 167.9° | 60.0° |
| H1 | C14 | C15 | H20 | 32.8° | 55.0° |
| H1 | C14 | C15 | H19 | 86.8° | 175.0° |
| H16 | C12 | H17 | H15 | 120.0° | 120.1° |
| H16 | C12 | C11 | H14 | 60.4° | 60.0° |
| H16 | C12 | C11 | H13 | 60.4° | 179.9° |
| H17 | C12 | C11 | H14 | 179.6° | 179.9° |
| H17 | C12 | C11 | H13 | 59.6° | 60.1° |
| H15 | C12 | C11 | H14 | 59.6° | 60.0° |
| H15 | C12 | C11 | H13 | 179.6° | 60.0° |
| H34 | C23 | C28 | H44 | 52.9° | 180.0° |
| H34 | C23 | C28 | H43 | 171.9° | 60.0° |
| H34 | C23 | C24 | H36 | 49.5° | 60.0° |
| H34 | C23 | C24 | H35 | 168.8° | 180.0° |
| H44 | C28 | C27 | H42 | 59.3° | 60.0° |
| H44 | C28 | C27 | H41 | 61.2° | 180.0° |
| H43 | C28 | C27 | H42 | 59.7° | 60.0° |
| H43 | C28 | C27 | H41 | 179.8° | 60.0° |
| H42 | C27 | C26 | H39 | 64.1° | 60.0° |
| H42 | C27 | C26 | H40 | 56.3° | 60.0° |
| H41 | C27 | C26 | H39 | 175.4° | 180.0° |
| H41 | C27 | C26 | H40 | 64.2° | 60.0° |
| H39 | C26 | C25 | H37 | 63.7° | 60.0° |
| H39 | C26 | C25 | H38 | 176.8° | 179.9° |
| H40 | C26 | C25 | H37 | 56.7° | 59.9° |
| H40 | C26 | C25 | H38 | 62.8° | 60.0° |
| H37 | C25 | C24 | H36 | 63.3° | 60.0° |
| H37 | C25 | C24 | H35 | 56.0° | 60.0° |
| H38 | C25 | C24 | H36 | 56.2° | 60.0° |
| H38 | C25 | C24 | H35 | 175.5° | 180.0° |
| H20 | C15 | N3 | H21 | 151.5° | 119.9° |
| H19 | C15 | N3 | H21 | 89.0° | 120.0° |
| H47 | C17 | C22 | H48 | 65.8° | 60.0° |
| H47 | C17 | C22 | H33 | 174.1° | 60.0° |
| H47 | C17 | C22 | H32 | 54.1° | 180.0° |
| H47 | C17 | C18 | H23 | 108.6° | 175.0° |
| H47 | C17 | C18 | H22 | 131.3° | 65.1° |
| H48 | C22 | H33 | H32 | 120.0° | 120.0° |
| H23 | C18 | C19 | H25 | 155.3° | 179.9° |
| H23 | C18 | C19 | H24 | 35.7° | 60.0° |
| H22 | C18 | C19 | H25 | 84.5° | 60.1° |
| H22 | C18 | C19 | H24 | 155.8° | 180.0° |
| H31 | C21 | H29 | H30 | 120.0° | 120.0° |
| H27 | C20 | H28 | H26 | 120.0° | 120.1° |
| H45 | C29 | C30 | H46 | 0.6° | 0.2° |
