M9J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C11 | sing | 1.54Å | 1.53Å | |
| C14 | C13 | sing | 1.54Å | 1.55Å | |
| C22 | N4 | sing | 1.49Å | 1.47Å | |
| C22 | C23 | sing | 1.54Å | 1.52Å | |
| N4 | C21 | sing | 1.49Å | 1.45Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C20 | N3 | sing | 1.47Å | 1.46Å | |
| C18 | C17 | doub | 1.36Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.54Å | 1.54Å | |
| C9 | C8 | sing | 1.47Å | 1.47Å | |
| C9 | N1 | sing | 1.47Å | 1.46Å | |
| C10 | N1 | sing | 1.47Å | 1.47Å | |
| C13 | C12 | sing | 1.54Å | 1.55Å | |
| C21 | C24 | sing | 1.54Å | 1.52Å | |
| C17 | C16 | sing | 1.40Å | 1.40Å | Aromatic |
| N3 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| N3 | C25 | sing | 1.37Å | 1.38Å | Aromatic |
| C23 | C24 | sing | 1.54Å | 1.52Å | |
| C19 | C27 | doub | 1.41Å | 1.41Å | Aromatic |
| C8 | C7 | trip | 1.17Å | 1.19Å | |
| C7 | C6 | sing | 1.43Å | 1.41Å | |
| C2 | C3 | sing | 1.54Å | 1.52Å | |
| C2 | C1 | sing | 1.54Å | 1.45Å | |
| N2 | C6 | sing | 1.32Å | 1.38Å | Aromatic |
| N2 | C15 | doub | 1.30Å | 1.31Å | Aromatic |
| C25 | C26 | doub | 1.34Å | 1.35Å | Aromatic |
| C16 | C15 | sing | 1.48Å | 1.47Å | |
| C16 | C28 | doub | 1.39Å | 1.39Å | Aromatic |
| C27 | C28 | sing | 1.39Å | 1.40Å | Aromatic |
| C27 | C26 | sing | 1.46Å | 1.43Å | Aromatic |
| C3 | N | sing | 1.49Å | 1.47Å | |
| C6 | C5 | doub | 1.35Å | 1.37Å | Aromatic |
| C15 | S | sing | 1.76Å | 1.73Å | Aromatic |
| C1 | C | sing | 1.54Å | 1.51Å | |
| C5 | S | sing | 1.76Å | 1.72Å | Aromatic |
| C5 | C4 | sing | 1.51Å | 1.50Å | |
| N | C | sing | 1.49Å | 1.47Å | |
| N | C4 | sing | 1.47Å | 1.48Å | |
| C33 | C4 | sing | 1.53Å | 1.54Å | |
| C33 | C32 | sing | 1.53Å | 1.52Å | |
| C4 | C29 | sing | 1.53Å | 1.54Å | |
| C32 | C31 | sing | 1.53Å | 1.52Å | |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| C31 | C30 | sing | 1.53Å | 1.52Å | |
| C33 | H1 | sing | 1.09Å | 1.10Å | |
| C33 | H2 | sing | 1.09Å | 1.10Å | |
| C32 | H3 | sing | 1.09Å | 1.10Å | |
| C32 | H4 | sing | 1.09Å | 1.10Å | |
| C31 | H5 | sing | 1.09Å | 1.10Å | |
| C31 | H6 | sing | 1.09Å | 1.10Å | |
| C30 | H7 | sing | 1.09Å | 1.10Å | |
| C30 | H8 | sing | 1.09Å | 1.10Å | |
| C29 | H9 | sing | 1.09Å | 1.10Å | |
| C29 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | H14 | sing | 1.09Å | 1.10Å | |
| C2 | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| C1 | H17 | sing | 1.09Å | 1.10Å | |
| C | H18 | sing | 1.09Å | 1.10Å | |
| C | H19 | sing | 1.09Å | 1.10Å | |
| C9 | H20 | sing | 1.09Å | 1.10Å | |
| C9 | H21 | sing | 1.09Å | 1.10Å | |
| N1 | H22 | sing | 1.01Å | 1.00Å | |
| C10 | H24 | sing | 1.09Å | 1.10Å | |
| C10 | H25 | sing | 1.09Å | 1.10Å | |
| C11 | H26 | sing | 1.09Å | 1.10Å | |
| C14 | H27 | sing | 1.09Å | 1.10Å | |
| C14 | H28 | sing | 1.09Å | 1.10Å | |
| C13 | H29 | sing | 1.09Å | 1.10Å | |
| C13 | H30 | sing | 1.09Å | 1.10Å | |
| C12 | H31 | sing | 1.09Å | 1.10Å | |
| C12 | H32 | sing | 1.09Å | 1.10Å | |
| C28 | H33 | sing | 1.08Å | 1.08Å | |
| C18 | H34 | sing | 1.08Å | 1.08Å | |
| C17 | H35 | sing | 1.08Å | 1.08Å | |
| C26 | H36 | sing | 1.08Å | 1.08Å | |
| C25 | H37 | sing | 1.08Å | 1.08Å | |
| C20 | H38 | sing | 1.09Å | 1.10Å | |
| C20 | H39 | sing | 1.09Å | 1.10Å | |
| C21 | H40 | sing | 1.09Å | 1.10Å | |
| C24 | H41 | sing | 1.09Å | 1.10Å | |
| C24 | H42 | sing | 1.09Å | 1.10Å | |
| C23 | H43 | sing | 1.09Å | 1.10Å | |
| C23 | H44 | sing | 1.09Å | 1.10Å | |
| C22 | H45 | sing | 1.09Å | 1.10Å | |
| C22 | H46 | sing | 1.09Å | 1.10Å | |
| N4 | H47 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C14 | C13 | 88.5° | 87.1° |
| C14 | C11 | C10 | 118.7° | 113.6° |
| C14 | C11 | C12 | 90.0° | 87.1° |
| C14 | C11 | H26 | 109.2° | 113.6° |
| C11 | C14 | H27 | 114.4° | 113.6° |
| C11 | C14 | H28 | 114.4° | 113.7° |
| C14 | C13 | C12 | 89.1° | 87.1° |
| C13 | C14 | H27 | 114.4° | 113.6° |
| C13 | C14 | H28 | 114.4° | 113.6° |
| C14 | C13 | H29 | 114.3° | 113.6° |
| C14 | C13 | H30 | 114.3° | 113.6° |
| N4 | C22 | C23 | 105.9° | 104.6° |
| C22 | N4 | C21 | 106.0° | 104.2° |
| N4 | C22 | H45 | 110.3° | 110.4° |
| N4 | C22 | H46 | 110.4° | 110.4° |
| C22 | N4 | H47 | 110.3° | 111.0° |
| C22 | C23 | C24 | 104.4° | 105.1° |
| C22 | C23 | H43 | 110.7° | 110.3° |
| C22 | C23 | H44 | 110.7° | 110.4° |
| C23 | C22 | H45 | 110.4° | 110.4° |
| C23 | C22 | H46 | 110.4° | 110.4° |
| N4 | C21 | C20 | 109.3° | 110.4° |
| N4 | C21 | C24 | 102.2° | 104.6° |
| N4 | C21 | H40 | 111.7° | 110.5° |
| C21 | N4 | H47 | 110.4° | 111.0° |
| C21 | C20 | N3 | 110.2° | 109.4° |
| C20 | C21 | C24 | 112.5° | 110.4° |
| C21 | C20 | H38 | 109.3° | 109.4° |
| C21 | C20 | H39 | 109.3° | 109.4° |
| C20 | C21 | H40 | 110.4° | 110.4° |
| C20 | N3 | C19 | 126.3° | 125.0° |
| C20 | N3 | C25 | 125.5° | 125.0° |
| N3 | C20 | H38 | 109.3° | 109.5° |
| N3 | C20 | H39 | 109.3° | 109.5° |
| C17 | C18 | C19 | 118.7° | 120.3° |
| C18 | C17 | C16 | 121.1° | 120.7° |
| C17 | C18 | H34 | 120.7° | 119.9° |
| C18 | C17 | H35 | 119.5° | 119.7° |
| C18 | C19 | N3 | 130.9° | 133.3° |
| C18 | C19 | C27 | 121.5° | 119.6° |
| C19 | C18 | H34 | 120.7° | 119.9° |
| C10 | C11 | C12 | 118.7° | 113.6° |
| C11 | C10 | N1 | 108.9° | 109.5° |
| C11 | C10 | H24 | 109.6° | 109.5° |
| C11 | C10 | H25 | 109.6° | 109.5° |
| C10 | C11 | H26 | 109.4° | 112.8° |
| C11 | C12 | C13 | 88.5° | 87.1° |
| C12 | C11 | H26 | 109.2° | 113.7° |
| C11 | C12 | H31 | 114.4° | 113.6° |
| C11 | C12 | H32 | 114.5° | 113.6° |
| C8 | C9 | N1 | 113.4° | 109.4° |
| C9 | C8 | C7 | 176.8° | 180.0° |
| C8 | C9 | H20 | 108.5° | 109.5° |
| C8 | C9 | H21 | 108.5° | 109.5° |
| C9 | N1 | C10 | 112.7° | 111.0° |
| N1 | C9 | H20 | 108.5° | 109.5° |
| N1 | C9 | H21 | 108.5° | 109.5° |
| C9 | N1 | H22 | 108.6° | 111.0° |
| C10 | N1 | H22 | 108.7° | 111.0° |
| N1 | C10 | H24 | 109.6° | 109.4° |
| N1 | C10 | H25 | 109.6° | 109.5° |
| C12 | C13 | H29 | 114.3° | 113.7° |
| C12 | C13 | H30 | 114.3° | 113.6° |
| C13 | C12 | H31 | 114.4° | 113.6° |
| C13 | C12 | H32 | 114.4° | 113.6° |
| C21 | C24 | C23 | 104.9° | 105.1° |
| C24 | C21 | H40 | 110.5° | 110.4° |
| C21 | C24 | H41 | 110.6° | 110.3° |
| C21 | C24 | H42 | 110.6° | 110.3° |
| C17 | C16 | C15 | 120.2° | 120.0° |
| C17 | C16 | C28 | 119.8° | 120.0° |
| C16 | C17 | H35 | 119.4° | 119.6° |
| C19 | N3 | C25 | 108.2° | 110.0° |
| N3 | C19 | C27 | 107.6° | 107.1° |
| N3 | C25 | C26 | 110.4° | 110.0° |
| N3 | C25 | H37 | 124.8° | 125.0° |
| C23 | C24 | H41 | 110.6° | 110.4° |
| C23 | C24 | H42 | 110.6° | 110.4° |
| C24 | C23 | H43 | 110.7° | 110.3° |
| C24 | C23 | H44 | 110.7° | 110.3° |
| C19 | C27 | C28 | 119.0° | 120.0° |
| C19 | C27 | C26 | 106.8° | 106.1° |
| C8 | C7 | C6 | 177.7° | 180.0° |
| C7 | C6 | N2 | 115.8° | 122.3° |
| C7 | C6 | C5 | 128.4° | 122.4° |
| C3 | C2 | C1 | 103.8° | 105.1° |
| C2 | C3 | N | 104.8° | 104.6° |
| C2 | C3 | H12 | 110.6° | 110.4° |
| C2 | C3 | H13 | 110.6° | 110.5° |
| C3 | C2 | H14 | 110.9° | 110.3° |
| C3 | C2 | H15 | 110.9° | 110.3° |
| C2 | C1 | C | 103.2° | 105.1° |
| C1 | C2 | H14 | 110.9° | 110.3° |
| C1 | C2 | H15 | 110.9° | 110.4° |
| C2 | C1 | H16 | 111.0° | 110.3° |
| C2 | C1 | H17 | 111.0° | 110.3° |
| C6 | N2 | C15 | 110.9° | 117.1° |
| N2 | C6 | C5 | 115.8° | 115.3° |
| N2 | C15 | C16 | 123.6° | 125.3° |
| N2 | C15 | S | 114.2° | 109.4° |
| C25 | C26 | C27 | 107.0° | 106.9° |
| C25 | C26 | H36 | 126.5° | 126.5° |
| C26 | C25 | H37 | 124.8° | 125.0° |
| C15 | C16 | C28 | 119.9° | 119.9° |
| C16 | C15 | S | 122.1° | 125.3° |
| C16 | C28 | C27 | 119.9° | 119.4° |
| C16 | C28 | H33 | 120.0° | 120.3° |
| C28 | C27 | C26 | 134.2° | 133.9° |
| C27 | C28 | H33 | 120.1° | 120.3° |
| C27 | C26 | H36 | 126.5° | 126.6° |
| C3 | N | C | 108.1° | 104.2° |
| C3 | N | C4 | 118.0° | 111.0° |
| N | C3 | H12 | 110.6° | 110.4° |
| N | C3 | H13 | 110.6° | 110.4° |
| C6 | C5 | S | 109.3° | 108.2° |
| C6 | C5 | C4 | 135.7° | 125.9° |
| C15 | S | C5 | 89.8° | 90.0° |
| C1 | C | N | 104.4° | 104.6° |
| C | C1 | H16 | 111.1° | 110.3° |
| C | C1 | H17 | 111.1° | 110.3° |
| C1 | C | H18 | 110.7° | 110.4° |
| C1 | C | H19 | 110.7° | 110.5° |
| S | C5 | C4 | 115.0° | 125.9° |
| C5 | C4 | N | 108.2° | 109.5° |
| C5 | C4 | C33 | 110.1° | 109.5° |
| C5 | C4 | C29 | 110.1° | 109.5° |
| C | N | C4 | 116.1° | 111.0° |
| N | C | H18 | 110.7° | 110.4° |
| N | C | H19 | 110.7° | 110.4° |
| N | C4 | C33 | 109.9° | 109.4° |
| N | C4 | C29 | 109.9° | 109.4° |
| C4 | C33 | C32 | 112.8° | 109.5° |
| C33 | C4 | C29 | 108.6° | 109.5° |
| C4 | C33 | H1 | 108.6° | 109.5° |
| C4 | C33 | H2 | 108.7° | 109.4° |
| C33 | C32 | C31 | 111.2° | 109.5° |
| C32 | C33 | H1 | 108.7° | 109.5° |
| C32 | C33 | H2 | 108.6° | 109.5° |
| C33 | C32 | H3 | 109.0° | 109.5° |
| C33 | C32 | H4 | 109.1° | 109.4° |
| C4 | C29 | C30 | 112.8° | 109.5° |
| C4 | C29 | H9 | 108.6° | 109.4° |
| C4 | C29 | H10 | 108.6° | 109.5° |
| C32 | C31 | C30 | 110.8° | 109.5° |
| C31 | C32 | H3 | 109.0° | 109.5° |
| C31 | C32 | H4 | 109.0° | 109.5° |
| C32 | C31 | H5 | 109.2° | 109.5° |
| C32 | C31 | H6 | 109.1° | 109.5° |
| C29 | C30 | C31 | 111.2° | 109.5° |
| C29 | C30 | H7 | 109.1° | 109.5° |
| C29 | C30 | H8 | 109.0° | 109.5° |
| C30 | C29 | H9 | 108.6° | 109.5° |
| C30 | C29 | H10 | 108.7° | 109.5° |
| C30 | C31 | H5 | 109.1° | 109.5° |
| C30 | C31 | H6 | 109.1° | 109.5° |
| C31 | C30 | H7 | 109.0° | 109.4° |
| C31 | C30 | H8 | 109.0° | 109.5° |
| H1 | C33 | H2 | 109.5° | 109.4° |
| H3 | C32 | H4 | 109.5° | 109.4° |
| H5 | C31 | H6 | 109.5° | 109.4° |
| H7 | C30 | H8 | 109.5° | 109.5° |
| H9 | C29 | H10 | 109.5° | 109.4° |
| H12 | C3 | H13 | 109.5° | 110.4° |
| H14 | C2 | H15 | 109.5° | 110.4° |
| H16 | C1 | H17 | 109.4° | 110.4° |
| H18 | C | H19 | 109.5° | 110.5° |
| H20 | C9 | H21 | 109.4° | 109.4° |
| H24 | C10 | H25 | 109.5° | 109.5° |
| H27 | C14 | H28 | 109.5° | 112.9° |
| H29 | C13 | H30 | 109.5° | 112.9° |
| H31 | C12 | H32 | 109.5° | 112.9° |
| H38 | C20 | H39 | 109.5° | 109.5° |
| H41 | C24 | H42 | 109.5° | 110.3° |
| H43 | C23 | H44 | 109.4° | 110.3° |
| H45 | C22 | H46 | 109.5° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C14 | C13 | H27 | 116.3° | 114.5° |
| C11 | C14 | C13 | H28 | 116.3° | 114.6° |
| C14 | C11 | C10 | C12 | 107.5° | 97.5° |
| C14 | C11 | C10 | H26 | 126.3° | 131.2° |
| C14 | C11 | C12 | H26 | 110.4° | 114.6° |
| C14 | C11 | C10 | N1 | 166.6° | 87.5° |
| C11 | C14 | C13 | C12 | 14.7° | 25.4° |
| C14 | C11 | C10 | H24 | 46.7° | 152.5° |
| C14 | C11 | C10 | H25 | 73.5° | 32.5° |
| C11 | C14 | H27 | H28 | 130.0° | 131.3° |
| C11 | C14 | C13 | H29 | 131.1° | 140.0° |
| C11 | C14 | C13 | H30 | 101.7° | 89.1° |
| C14 | C11 | C12 | H31 | 131.1° | 140.0° |
| C14 | C11 | C12 | H32 | 101.4° | 89.2° |
| C13 | C14 | C11 | C10 | 138.0° | 140.0° |
| C14 | C13 | C12 | H29 | 116.4° | 114.6° |
| C14 | C13 | C12 | H30 | 116.4° | 114.5° |
| C13 | C14 | C11 | H26 | 95.6° | 89.2° |
| C13 | C14 | H27 | H28 | 129.9° | 131.2° |
| C14 | C13 | H29 | H30 | 129.7° | 131.2° |
| C14 | C13 | C12 | H31 | 131.0° | 140.0° |
| C14 | C13 | C12 | H32 | 101.6° | 89.2° |
| N4 | C22 | C23 | H45 | 119.4° | 118.7° |
| N4 | C22 | C23 | H46 | 119.4° | 118.8° |
| C22 | N4 | C21 | H47 | 119.5° | 119.5° |
| C22 | N4 | C21 | C20 | 78.1° | 158.3° |
| C22 | N4 | C21 | C24 | 41.3° | 39.5° |
| N4 | C22 | C23 | C24 | 7.7° | 23.9° |
| C22 | N4 | C21 | H40 | 159.4° | 79.3° |
| N4 | C22 | C23 | H43 | 111.5° | 95.0° |
| N4 | C22 | C23 | H44 | 126.9° | 142.8° |
| N4 | C22 | H45 | H46 | 121.6° | 122.4° |
| C23 | C22 | N4 | C21 | 31.1° | 39.5° |
| C22 | C23 | C24 | C21 | 16.9° | 0.0° |
| C22 | C23 | C24 | H43 | 119.2° | 118.9° |
| C22 | C23 | C24 | H44 | 119.2° | 119.0° |
| C22 | C23 | C24 | H41 | 136.2° | 118.9° |
| C22 | C23 | C24 | H42 | 102.3° | 118.9° |
| C22 | C23 | H43 | H44 | 122.4° | 122.2° |
| C23 | C22 | H45 | H46 | 121.7° | 122.5° |
| C23 | C22 | N4 | H47 | 150.6° | 80.1° |
| N4 | C21 | C20 | C24 | 112.8° | 115.1° |
| N4 | C21 | C20 | H40 | 123.2° | 122.5° |
| N4 | C21 | C20 | N3 | 147.1° | 69.8° |
| N4 | C21 | C24 | H40 | 118.9° | 118.9° |
| N4 | C21 | C24 | C23 | 35.7° | 23.8° |
| N4 | C21 | C20 | H38 | 27.0° | 50.2° |
| N4 | C21 | C20 | H39 | 92.9° | 170.1° |
| N4 | C21 | C24 | H41 | 154.9° | 95.1° |
| N4 | C21 | C24 | H42 | 83.6° | 142.8° |
| C21 | N4 | C22 | H45 | 150.6° | 158.2° |
| C21 | N4 | C22 | H46 | 88.3° | 79.3° |
| C21 | C20 | N3 | H38 | 120.1° | 120.0° |
| C21 | C20 | N3 | H39 | 120.1° | 120.0° |
| C20 | C21 | C24 | H40 | 123.9° | 122.4° |
| C21 | C20 | N3 | C19 | 86.2° | 85.0° |
| C21 | C20 | N3 | C25 | 93.9° | 95.1° |
| C20 | C21 | C24 | C23 | 81.4° | 142.6° |
| C21 | C20 | H38 | H39 | 119.7° | 119.9° |
| C20 | C21 | C24 | H41 | 37.8° | 23.7° |
| C20 | C21 | C24 | H42 | 159.3° | 98.4° |
| C20 | C21 | N4 | H47 | 41.3° | 38.7° |
| C20 | N3 | C19 | C18 | 0.0° | 0.1° |
| N3 | C20 | C21 | C24 | 34.3° | 175.0° |
| C20 | N3 | C19 | C25 | 180.0° | 179.9° |
| C20 | N3 | C19 | C27 | 179.9° | 179.9° |
| C20 | N3 | C25 | C26 | 179.9° | 179.9° |
| C20 | N3 | C25 | H37 | 0.0° | 0.1° |
| N3 | C20 | H38 | H39 | 119.6° | 120.1° |
| N3 | C20 | C21 | H40 | 89.8° | 52.6° |
| C17 | C18 | C19 | H34 | 180.0° | 179.5° |
| C18 | C17 | C16 | H35 | 180.0° | 179.4° |
| C17 | C18 | C19 | N3 | 180.0° | 179.7° |
| C17 | C18 | C19 | C27 | 0.0° | 0.3° |
| C18 | C17 | C16 | C15 | 179.9° | 179.7° |
| C18 | C17 | C16 | C28 | 0.0° | 0.6° |
| C19 | C18 | C17 | C16 | 0.0° | 0.6° |
| C18 | C19 | N3 | C27 | 180.0° | 180.0° |
| C18 | C19 | N3 | C25 | 180.0° | 180.0° |
| C18 | C19 | C27 | C28 | 0.0° | 0.0° |
| C18 | C19 | C27 | C26 | 180.0° | 180.0° |
| C19 | C18 | C17 | H35 | 180.0° | 180.0° |
| C10 | C11 | C12 | H26 | 126.4° | 130.9° |
| C11 | C10 | N1 | C9 | 135.4° | 180.0° |
| C11 | C10 | N1 | H24 | 119.9° | 120.0° |
| C11 | C10 | N1 | H25 | 119.9° | 120.1° |
| C10 | C11 | C12 | C13 | 138.0° | 139.9° |
| C11 | C10 | N1 | H22 | 14.9° | 56.1° |
| C11 | C10 | H24 | H25 | 120.3° | 120.0° |
| C10 | C11 | C14 | H27 | 21.8° | 25.4° |
| C10 | C11 | C14 | H28 | 105.7° | 105.4° |
| C10 | C11 | C12 | H31 | 105.7° | 105.5° |
| C10 | C11 | C12 | H32 | 21.8° | 25.4° |
| C12 | C11 | C10 | N1 | 86.0° | 175.0° |
| C11 | C12 | C13 | H31 | 116.3° | 114.6° |
| C11 | C12 | C13 | H32 | 116.3° | 114.6° |
| C12 | C11 | C10 | H24 | 154.1° | 55.0° |
| C12 | C11 | C10 | H25 | 34.0° | 65.0° |
| C12 | C11 | C14 | H27 | 101.4° | 89.2° |
| C12 | C11 | C14 | H28 | 131.1° | 140.0° |
| C11 | C12 | C13 | H29 | 131.1° | 140.0° |
| C11 | C12 | C13 | H30 | 101.7° | 89.1° |
| C11 | C12 | H31 | H32 | 130.0° | 131.2° |
| C8 | C9 | N1 | H20 | 120.6° | 120.0° |
| C8 | C9 | N1 | H21 | 120.6° | 120.0° |
| C8 | C9 | N1 | C10 | 165.5° | 180.0° |
| C9 | C8 | C7 | C6 | 0.3° | 134.6° |
| C8 | C9 | H20 | H21 | 118.2° | 120.0° |
| C8 | C9 | N1 | H22 | 45.1° | 56.1° |
| C9 | N1 | C10 | H22 | 120.5° | 123.9° |
| N1 | C9 | C8 | C7 | 0.6° | 137.3° |
| N1 | C9 | H20 | H21 | 118.2° | 120.0° |
| C9 | N1 | C10 | H24 | 15.5° | 60.0° |
| C9 | N1 | C10 | H25 | 104.6° | 60.0° |
| C10 | N1 | C9 | H20 | 73.9° | 60.0° |
| C10 | N1 | C9 | H21 | 45.0° | 60.0° |
| N1 | C10 | H24 | H25 | 120.2° | 120.0° |
| N1 | C10 | C11 | H26 | 40.3° | 43.7° |
| C13 | C12 | C11 | H26 | 95.6° | 89.2° |
| C12 | C13 | C14 | H27 | 101.6° | 89.1° |
| C12 | C13 | C14 | H28 | 131.0° | 140.0° |
| C12 | C13 | H29 | H30 | 129.7° | 131.3° |
| C13 | C12 | H31 | H32 | 129.9° | 131.2° |
| C21 | C24 | C23 | H41 | 119.3° | 118.9° |
| C21 | C24 | C23 | H42 | 119.3° | 118.9° |
| C24 | C21 | C20 | H38 | 85.8° | 64.9° |
| C24 | C21 | C20 | H39 | 154.4° | 55.0° |
| C21 | C24 | H41 | H42 | 122.1° | 122.1° |
| C21 | C24 | C23 | H43 | 136.1° | 118.9° |
| C21 | C24 | C23 | H44 | 102.3° | 119.0° |
| C24 | C21 | N4 | H47 | 160.7° | 80.0° |
| C17 | C16 | C15 | N2 | 8.3° | 179.7° |
| C17 | C16 | C15 | C28 | 179.9° | 179.7° |
| C17 | C16 | C28 | C27 | 0.0° | 0.3° |
| C17 | C16 | C15 | S | 171.7° | 0.3° |
| C17 | C16 | C28 | H33 | 180.0° | 179.7° |
| C16 | C17 | C18 | H34 | 180.0° | 179.9° |
| C19 | N3 | C25 | C26 | 0.0° | 0.0° |
| N3 | C19 | C27 | C28 | 180.0° | 180.0° |
| N3 | C19 | C27 | C26 | 0.0° | 0.1° |
| N3 | C19 | C18 | H34 | 0.0° | 0.3° |
| C19 | N3 | C25 | H37 | 180.0° | 180.0° |
| C19 | N3 | C20 | H38 | 33.9° | 155.0° |
| C19 | N3 | C20 | H39 | 153.7° | 34.9° |
| C25 | N3 | C19 | C27 | 0.0° | 0.0° |
| N3 | C25 | C26 | H37 | 180.0° | 180.0° |
| N3 | C25 | C26 | C27 | 0.0° | 0.0° |
| N3 | C25 | C26 | H36 | 180.0° | 179.9° |
| C25 | N3 | C20 | H38 | 146.0° | 24.9° |
| C25 | N3 | C20 | H39 | 26.3° | 145.0° |
| C23 | C24 | C21 | H40 | 154.6° | 95.0° |
| C23 | C24 | H41 | H42 | 122.1° | 122.3° |
| C24 | C23 | H43 | H44 | 122.3° | 122.1° |
| C24 | C23 | C22 | H45 | 127.1° | 142.6° |
| C24 | C23 | C22 | H46 | 111.8° | 94.9° |
| C19 | C27 | C26 | C25 | 0.0° | 0.1° |
| C19 | C27 | C28 | C16 | 0.0° | 0.1° |
| C19 | C27 | C28 | C26 | 180.0° | 179.9° |
| C19 | C27 | C28 | H33 | 180.0° | 180.0° |
| C27 | C19 | C18 | H34 | 180.0° | 179.8° |
| C19 | C27 | C26 | H36 | 180.0° | 179.9° |
| C8 | C7 | C6 | N2 | 179.5° | 91.9° |
| C8 | C7 | C6 | C5 | 0.5° | 87.6° |
| C7 | C8 | C9 | H20 | 121.2° | 102.7° |
| C7 | C8 | C9 | H21 | 120.0° | 17.3° |
| C7 | C6 | N2 | C5 | 180.0° | 179.6° |
| C7 | C6 | N2 | C15 | 180.0° | 180.0° |
| C7 | C6 | C5 | S | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 0.1° | 0.3° |
| C3 | C2 | C1 | H14 | 119.1° | 118.8° |
| C3 | C2 | C1 | H15 | 119.1° | 118.9° |
| C2 | C3 | N | H12 | 119.2° | 118.8° |
| C2 | C3 | N | H13 | 119.3° | 118.9° |
| C3 | C2 | C1 | C | 39.7° | 0.0° |
| C2 | C3 | N | C | 7.8° | 39.5° |
| C2 | C3 | N | C4 | 142.2° | 159.0° |
| C2 | C3 | H12 | H13 | 122.2° | 122.5° |
| C3 | C2 | H14 | H15 | 122.7° | 122.2° |
| C3 | C2 | C1 | H16 | 79.3° | 118.9° |
| C3 | C2 | C1 | H17 | 158.8° | 118.9° |
| C1 | C2 | C3 | N | 29.9° | 23.9° |
| C2 | C1 | C | H16 | 119.0° | 118.9° |
| C2 | C1 | C | H17 | 119.0° | 118.9° |
| C2 | C1 | C | N | 35.0° | 23.9° |
| C1 | C2 | C3 | H12 | 149.2° | 94.9° |
| C1 | C2 | C3 | H13 | 89.3° | 142.7° |
| C1 | C2 | H14 | H15 | 122.6° | 122.2° |
| C2 | C1 | H16 | H17 | 122.9° | 122.2° |
| C2 | C1 | C | H18 | 154.2° | 142.6° |
| C2 | C1 | C | H19 | 84.2° | 94.9° |
| C6 | N2 | C15 | C16 | 180.0° | 179.8° |
| C6 | N2 | C15 | S | 0.0° | 0.2° |
| N2 | C6 | C5 | S | 0.0° | 0.4° |
| N2 | C6 | C5 | C4 | 180.0° | 179.8° |
| N2 | C15 | C16 | S | 180.0° | 180.0° |
| N2 | C15 | C16 | C28 | 171.6° | 0.0° |
| C15 | N2 | C6 | C5 | 0.0° | 0.5° |
| N2 | C15 | S | C5 | 0.0° | 0.0° |
| C25 | C26 | C27 | C28 | 180.0° | 180.0° |
| C25 | C26 | C27 | H36 | 180.0° | 179.9° |
| C15 | C16 | C28 | C27 | 179.9° | 180.0° |
| C16 | C15 | S | C5 | 180.0° | 180.0° |
| C15 | C16 | C28 | H33 | 0.1° | 0.0° |
| C15 | C16 | C17 | H35 | 0.1° | 0.3° |
| C16 | C28 | C27 | H33 | 180.0° | 180.0° |
| C16 | C28 | C27 | C26 | 180.0° | 179.9° |
| C28 | C16 | C15 | S | 8.4° | 180.0° |
| C28 | C16 | C17 | H35 | 180.0° | 180.0° |
| C28 | C27 | C26 | H36 | 0.0° | 0.2° |
| C26 | C27 | C28 | H33 | 0.0° | 0.1° |
| C27 | C26 | C25 | H37 | 180.0° | 180.0° |
| C3 | N | C | C1 | 16.3° | 39.5° |
| C3 | N | C4 | C5 | 24.0° | 57.3° |
| C3 | N | C | C4 | 135.3° | 119.5° |
| C3 | N | C4 | C33 | 96.2° | 177.3° |
| C3 | N | C4 | C29 | 144.3° | 62.7° |
| N | C3 | H12 | H13 | 122.2° | 122.4° |
| N | C3 | C2 | H14 | 149.0° | 142.7° |
| N | C3 | C2 | H15 | 89.1° | 95.1° |
| C3 | N | C | H18 | 135.4° | 158.3° |
| C3 | N | C | H19 | 102.9° | 79.3° |
| C6 | C5 | S | C15 | 0.0° | 0.2° |
| C6 | C5 | S | C4 | 180.0° | 179.7° |
| C6 | C5 | C4 | N | 105.5° | 179.0° |
| C6 | C5 | C4 | C33 | 14.6° | 61.1° |
| C6 | C5 | C4 | C29 | 134.4° | 59.0° |
| C15 | S | C5 | C4 | 180.0° | 180.0° |
| C1 | C | N | H18 | 119.2° | 118.8° |
| C1 | C | N | H19 | 119.2° | 118.8° |
| C1 | C | N | C4 | 119.0° | 159.0° |
| C | C1 | C2 | H14 | 158.8° | 118.8° |
| C | C1 | C2 | H15 | 79.4° | 118.9° |
| C | C1 | H16 | H17 | 122.9° | 122.1° |
| C1 | C | H18 | H19 | 122.4° | 122.5° |
| S | C5 | C4 | N | 74.4° | 1.3° |
| S | C5 | C4 | C33 | 165.5° | 118.6° |
| S | C5 | C4 | C29 | 45.7° | 121.3° |
| C5 | C4 | N | C | 154.8° | 58.1° |
| C5 | C4 | N | C33 | 120.3° | 120.0° |
| C5 | C4 | N | C29 | 120.2° | 120.0° |
| C5 | C4 | C33 | C29 | 120.7° | 120.1° |
| C5 | C4 | C33 | C32 | 66.7° | 180.0° |
| C5 | C4 | C29 | C30 | 66.7° | 180.0° |
| C5 | C4 | C33 | H1 | 53.8° | 59.9° |
| C5 | C4 | C33 | H2 | 172.8° | 60.0° |
| C5 | C4 | C29 | H9 | 172.8° | 60.0° |
| C5 | C4 | C29 | H10 | 53.8° | 59.9° |
| C | N | C4 | C33 | 34.5° | 61.9° |
| C | N | C4 | C29 | 85.0° | 178.1° |
| C | N | C3 | H12 | 127.1° | 79.3° |
| C | N | C3 | H13 | 111.4° | 158.4° |
| N | C | C1 | H16 | 84.0° | 142.8° |
| N | C | C1 | H17 | 154.0° | 95.1° |
| N | C | H18 | H19 | 122.4° | 122.4° |
| N | C4 | C33 | C29 | 120.2° | 120.0° |
| N | C4 | C33 | C32 | 174.3° | 60.0° |
| N | C4 | C29 | C30 | 174.2° | 60.0° |
| N | C4 | C33 | H1 | 65.2° | 60.0° |
| N | C4 | C33 | H2 | 53.7° | 180.0° |
| N | C4 | C29 | H9 | 53.7° | 180.0° |
| N | C4 | C29 | H10 | 65.3° | 60.0° |
| C4 | N | C3 | H12 | 98.6° | 40.2° |
| C4 | N | C3 | H13 | 22.9° | 82.1° |
| C4 | N | C | H18 | 0.2° | 82.2° |
| C4 | N | C | H19 | 121.8° | 40.2° |
| C4 | C33 | C32 | H1 | 120.5° | 120.1° |
| C4 | C33 | C32 | H2 | 120.5° | 120.0° |
| C4 | C33 | C32 | C31 | 56.2° | 59.9° |
| C33 | C4 | C29 | C30 | 54.0° | 60.0° |
| C4 | C33 | H1 | H2 | 118.5° | 120.0° |
| C4 | C33 | C32 | H3 | 64.0° | 180.0° |
| C4 | C33 | C32 | H4 | 176.5° | 60.1° |
| C33 | C4 | C29 | H9 | 66.5° | 60.1° |
| C33 | C4 | C29 | H10 | 174.5° | 180.0° |
| C32 | C33 | C4 | C29 | 54.0° | 59.9° |
| C33 | C32 | C31 | H3 | 120.2° | 120.1° |
| C33 | C32 | C31 | H4 | 120.3° | 120.0° |
| C33 | C32 | C31 | C30 | 56.0° | 60.0° |
| C32 | C33 | H1 | H2 | 118.5° | 120.0° |
| C33 | C32 | H3 | H4 | 119.2° | 119.9° |
| C33 | C32 | C31 | H5 | 176.2° | 60.1° |
| C33 | C32 | C31 | H6 | 64.2° | 180.0° |
| C4 | C29 | C30 | H9 | 120.5° | 120.0° |
| C4 | C29 | C30 | H10 | 120.5° | 120.0° |
| C4 | C29 | C30 | C31 | 56.2° | 60.0° |
| C29 | C4 | C33 | H1 | 174.5° | 180.0° |
| C29 | C4 | C33 | H2 | 66.5° | 60.1° |
| C4 | C29 | C30 | H7 | 176.4° | 179.9° |
| C4 | C29 | C30 | H8 | 64.0° | 60.0° |
| C4 | C29 | H9 | H10 | 118.5° | 120.0° |
| C32 | C31 | C30 | C29 | 55.9° | 60.0° |
| C32 | C31 | C30 | H5 | 120.2° | 120.0° |
| C32 | C31 | C30 | H6 | 120.2° | 120.0° |
| C31 | C32 | C33 | H1 | 176.7° | 180.0° |
| C31 | C32 | C33 | H2 | 64.3° | 60.1° |
| C31 | C32 | H3 | H4 | 119.2° | 120.0° |
| C32 | C31 | H5 | H6 | 119.4° | 119.9° |
| C32 | C31 | C30 | H7 | 176.2° | 180.0° |
| C32 | C31 | C30 | H8 | 64.3° | 60.0° |
| C29 | C30 | C31 | H7 | 120.3° | 120.0° |
| C29 | C30 | C31 | H8 | 120.2° | 120.0° |
| C29 | C30 | C31 | H5 | 176.1° | 60.0° |
| C29 | C30 | C31 | H6 | 64.3° | 180.0° |
| C29 | C30 | H7 | H8 | 119.2° | 120.1° |
| C30 | C29 | H9 | H10 | 118.5° | 120.0° |
| C30 | C31 | C32 | H3 | 64.3° | 180.0° |
| C30 | C31 | C32 | H4 | 176.3° | 60.0° |
| C30 | C31 | H5 | H6 | 119.4° | 120.0° |
| C31 | C30 | H7 | H8 | 119.2° | 120.0° |
| C31 | C30 | C29 | H9 | 64.3° | 60.0° |
| C31 | C30 | C29 | H10 | 176.7° | 180.0° |
| H1 | C33 | C32 | H3 | 56.5° | 59.9° |
| H1 | C33 | C32 | H4 | 63.0° | 60.0° |
| H2 | C33 | C32 | H3 | 175.5° | 60.0° |
| H2 | C33 | C32 | H4 | 56.0° | 179.9° |
| H3 | C32 | C31 | H5 | 55.9° | 60.0° |
| H3 | C32 | C31 | H6 | 175.5° | 59.9° |
| H4 | C32 | C31 | H5 | 63.6° | 180.0° |
| H4 | C32 | C31 | H6 | 56.1° | 60.0° |
| H5 | C31 | C30 | H7 | 63.6° | 60.0° |
| H5 | C31 | C30 | H8 | 55.9° | 180.0° |
| H6 | C31 | C30 | H7 | 56.0° | 60.0° |
| H6 | C31 | C30 | H8 | 175.5° | 60.0° |
| H7 | C30 | C29 | H9 | 56.0° | 60.0° |
| H7 | C30 | C29 | H10 | 63.1° | 60.0° |
| H8 | C30 | C29 | H9 | 175.5° | 180.0° |
| H8 | C30 | C29 | H10 | 56.4° | 60.0° |
| H12 | C3 | C2 | H14 | 91.7° | 23.9° |
| H12 | C3 | C2 | H15 | 30.1° | 146.2° |
| H13 | C3 | C2 | H14 | 29.8° | 98.5° |
| H13 | C3 | C2 | H15 | 151.6° | 23.8° |
| H14 | C2 | C1 | H16 | 39.8° | 0.0° |
| H14 | C2 | C1 | H17 | 82.1° | 122.3° |
| H15 | C2 | C1 | H16 | 161.6° | 122.3° |
| H15 | C2 | C1 | H17 | 39.7° | 0.0° |
| H16 | C1 | C | H18 | 35.2° | 98.5° |
| H16 | C1 | C | H19 | 156.8° | 24.0° |
| H17 | C1 | C | H18 | 86.8° | 23.7° |
| H17 | C1 | C | H19 | 34.9° | 146.2° |
| H20 | C9 | N1 | H22 | 165.7° | 176.1° |
| H21 | C9 | N1 | H22 | 75.5° | 64.0° |
| H22 | N1 | C10 | H24 | 105.0° | 176.1° |
| H22 | N1 | C10 | H25 | 134.9° | 63.9° |
| H24 | C10 | C11 | H26 | 79.6° | 76.2° |
| H25 | C10 | C11 | H26 | 160.2° | 163.7° |
| H26 | C11 | C14 | H27 | 148.1° | 156.3° |
| H26 | C11 | C14 | H28 | 20.6° | 25.4° |
| H26 | C11 | C12 | H31 | 20.7° | 25.4° |
| H26 | C11 | C12 | H32 | 148.1° | 156.3° |
| H27 | C14 | C13 | H29 | 14.8° | 25.5° |
| H27 | C14 | C13 | H30 | 142.0° | 156.3° |
| H28 | C14 | C13 | H29 | 112.7° | 105.4° |
| H28 | C14 | C13 | H30 | 14.6° | 25.5° |
| H29 | C13 | C12 | H31 | 112.7° | 105.5° |
| H29 | C13 | C12 | H32 | 14.8° | 25.4° |
| H30 | C13 | C12 | H31 | 14.6° | 25.5° |
| H30 | C13 | C12 | H32 | 142.0° | 156.3° |
| H34 | C18 | C17 | H35 | 0.0° | 0.5° |
| H36 | C26 | C25 | H37 | 0.0° | 0.1° |
| H38 | C20 | C21 | H40 | 150.2° | 172.7° |
| H39 | C20 | C21 | H40 | 30.3° | 67.4° |
| H40 | C21 | C24 | H41 | 86.1° | 146.1° |
| H40 | C21 | C24 | H42 | 35.3° | 24.0° |
| H40 | C21 | N4 | H47 | 81.1° | 161.1° |
| H41 | C24 | C23 | H43 | 104.6° | 0.0° |
| H41 | C24 | C23 | H44 | 17.0° | 122.2° |
| H42 | C24 | C23 | H43 | 16.9° | 122.2° |
| H42 | C24 | C23 | H44 | 138.4° | 0.1° |
| H43 | C23 | C22 | H45 | 7.9° | 23.7° |
| H43 | C23 | C22 | H46 | 129.0° | 146.2° |
| H44 | C23 | C22 | H45 | 113.7° | 98.5° |
| H44 | C23 | C22 | H46 | 7.4° | 24.0° |
| H45 | C22 | N4 | H47 | 90.0° | 38.7° |
| H46 | C22 | N4 | H47 | 31.1° | 161.1° |
