HL7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | N4 | doub | 1.32Å | 1.34Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| N4 | C24 | sing | 1.32Å | 1.34Å | Aromatic |
| C22 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| C21 | S | sing | 1.76Å | 1.76Å | |
| O2 | S | doub | 1.42Å | 1.44Å | |
| S | C20 | sing | 1.76Å | 1.76Å | |
| S | O3 | doub | 1.42Å | 1.44Å | |
| C19 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
| C20 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | N3 | sing | 1.40Å | 1.37Å | |
| C17 | C27 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | N3 | sing | 1.48Å | 1.46Å | |
| C16 | C15 | sing | 1.54Å | 1.56Å | |
| N3 | C28 | sing | 1.48Å | 1.47Å | |
| C15 | C28 | sing | 1.53Å | 1.56Å | |
| C15 | C14 | sing | 1.53Å | 1.50Å | |
| C7 | N1 | sing | 1.47Å | 1.45Å | |
| C14 | N2 | sing | 1.47Å | 1.47Å | |
| C13 | N2 | sing | 1.47Å | 1.47Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| N1 | C6 | sing | 1.35Å | 1.33Å | |
| N2 | C29 | sing | 1.47Å | 1.47Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| O | C6 | sing | 1.35Å | 1.36Å | |
| O | C5 | sing | 1.45Å | 1.46Å | |
| C6 | O1 | doub | 1.22Å | 1.22Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C11 | C30 | sing | 1.53Å | 1.53Å | |
| C11 | C3 | sing | 1.53Å | 1.60Å | |
| C8 | C5 | sing | 1.54Å | 1.52Å | |
| C8 | C9 | sing | 1.55Å | 1.53Å | |
| C5 | C4 | sing | 1.54Å | 1.53Å | |
| C4 | C3 | sing | 1.53Å | 1.61Å | |
| C4 | C10 | sing | 1.54Å | 1.54Å | |
| C9 | C10 | sing | 1.55Å | 1.51Å | |
| C3 | C2 | sing | 1.53Å | 1.61Å | |
| C3 | C31 | sing | 1.51Å | 1.57Å | |
| C2 | N | sing | 1.47Å | 1.45Å | |
| C | N | sing | 1.47Å | 1.46Å | |
| N | C1 | sing | 1.47Å | 1.46Å | |
| C31 | C36 | doub | 1.39Å | 1.39Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.41Å | Aromatic |
| C36 | C35 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | C32 | sing | 1.50Å | 1.52Å | |
| C32 | C33 | doub | 1.39Å | 1.39Å | Aromatic |
| C35 | C34 | doub | 1.38Å | 1.38Å | Aromatic |
| C33 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| N1 | H16 | sing | 0.97Å | 1.00Å | |
| C5 | H17 | sing | 1.09Å | 1.10Å | |
| C4 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.08Å | 1.08Å | |
| C24 | H20 | sing | 1.08Å | 1.08Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C1 | H23 | sing | 1.09Å | 1.10Å | |
| C1 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C14 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| C16 | H28 | sing | 1.09Å | 1.10Å | |
| C15 | H29 | sing | 1.09Å | 1.10Å | |
| C18 | H30 | sing | 1.08Å | 1.08Å | |
| C22 | H31 | sing | 1.08Å | 1.08Å | |
| C19 | H32 | sing | 1.08Å | 1.08Å | |
| C25 | H33 | sing | 1.08Å | 1.08Å | |
| C26 | H34 | sing | 1.08Å | 1.08Å | |
| C27 | H35 | sing | 1.08Å | 1.08Å | |
| C28 | H36 | sing | 1.09Å | 1.10Å | |
| C28 | H37 | sing | 1.09Å | 1.10Å | |
| C29 | H38 | sing | 1.09Å | 1.10Å | |
| C29 | H39 | sing | 1.09Å | 1.10Å | |
| C30 | H40 | sing | 1.09Å | 1.10Å | |
| C30 | H41 | sing | 1.09Å | 1.10Å | |
| C | H43 | sing | 1.09Å | 1.10Å | |
| C | H44 | sing | 1.09Å | 1.10Å | |
| C | H45 | sing | 1.09Å | 1.10Å | |
| C36 | H46 | sing | 1.08Å | 1.08Å | |
| C35 | H47 | sing | 1.08Å | 1.08Å | |
| C34 | H48 | sing | 1.08Å | 1.08Å | |
| C33 | H49 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N4 | C23 | C22 | 123.9° | 120.8° |
| C23 | N4 | C24 | 117.3° | 121.7° |
| N4 | C23 | H19 | 118.0° | 119.6° |
| C23 | C22 | C21 | 117.1° | 119.1° |
| C22 | C23 | H19 | 118.1° | 119.6° |
| C23 | C22 | H31 | 121.4° | 120.4° |
| N4 | C24 | C25 | 124.0° | 120.8° |
| N4 | C24 | H20 | 118.0° | 119.6° |
| C22 | C21 | C25 | 120.7° | 118.5° |
| C22 | C21 | S | 119.5° | 120.8° |
| C21 | C22 | H31 | 121.4° | 120.4° |
| C24 | C25 | C21 | 117.0° | 119.1° |
| C25 | C24 | H20 | 118.0° | 119.6° |
| C24 | C25 | H33 | 121.5° | 120.4° |
| C25 | C21 | S | 119.6° | 120.8° |
| C21 | C25 | H33 | 121.5° | 120.5° |
| C21 | S | O2 | 108.2° | 106.4° |
| C21 | S | C20 | 104.2° | 107.2° |
| C21 | S | O3 | 108.3° | 106.4° |
| O2 | S | C20 | 108.1° | 106.4° |
| O2 | S | O3 | 119.0° | 123.1° |
| C20 | S | O3 | 108.1° | 106.4° |
| S | C20 | C19 | 119.7° | 119.9° |
| S | C20 | C26 | 119.5° | 119.9° |
| C18 | C19 | C20 | 119.5° | 120.1° |
| C19 | C18 | C17 | 120.7° | 119.9° |
| C19 | C18 | H30 | 119.6° | 120.1° |
| C18 | C19 | H32 | 120.3° | 120.0° |
| C19 | C20 | C26 | 120.8° | 120.1° |
| C20 | C19 | H32 | 120.3° | 119.9° |
| C18 | C17 | N3 | 120.6° | 120.1° |
| C18 | C17 | C27 | 118.9° | 119.8° |
| C17 | C18 | H30 | 119.7° | 120.0° |
| C20 | C26 | C27 | 119.5° | 120.1° |
| C20 | C26 | H34 | 120.2° | 119.9° |
| N3 | C17 | C27 | 120.5° | 120.1° |
| C17 | N3 | C16 | 129.8° | 111.0° |
| C17 | N3 | C28 | 134.4° | 111.0° |
| C17 | C27 | C26 | 120.7° | 119.9° |
| C17 | C27 | H35 | 119.7° | 120.0° |
| C27 | C26 | H34 | 120.3° | 120.0° |
| C26 | C27 | H35 | 119.6° | 120.0° |
| N3 | C16 | C15 | 87.7° | 87.9° |
| C16 | N3 | C28 | 95.8° | 87.8° |
| N3 | C16 | H27 | 114.6° | 113.5° |
| N3 | C16 | H28 | 114.6° | 113.5° |
| C16 | C15 | C28 | 88.5° | 83.6° |
| C16 | C15 | C14 | 112.9° | 114.2° |
| C15 | C16 | H27 | 114.6° | 113.4° |
| C15 | C16 | H28 | 114.6° | 113.5° |
| C16 | C15 | H29 | 112.6° | 114.1° |
| N3 | C28 | C15 | 87.4° | 87.9° |
| N3 | C28 | H36 | 114.7° | 113.4° |
| N3 | C28 | H37 | 114.7° | 113.5° |
| C28 | C15 | C14 | 114.4° | 114.2° |
| C28 | C15 | H29 | 112.6° | 114.2° |
| C15 | C28 | H36 | 114.7° | 113.4° |
| C15 | C28 | H37 | 114.7° | 113.5° |
| C15 | C14 | N2 | 112.8° | 109.5° |
| C15 | C14 | H25 | 108.6° | 109.5° |
| C15 | C14 | H26 | 108.6° | 109.5° |
| C14 | C15 | H29 | 113.5° | 113.4° |
| C7 | N1 | C6 | 122.2° | 120.0° |
| N1 | C7 | H6 | 109.5° | 109.5° |
| N1 | C7 | H7 | 109.5° | 109.4° |
| N1 | C7 | H8 | 109.5° | 109.5° |
| C7 | N1 | H16 | 118.9° | 120.0° |
| C14 | N2 | C13 | 107.9° | 111.0° |
| C14 | N2 | C29 | 107.4° | 111.0° |
| N2 | C14 | H25 | 108.6° | 109.5° |
| N2 | C14 | H26 | 108.6° | 109.5° |
| N2 | C13 | C12 | 111.1° | 109.5° |
| C13 | N2 | C29 | 109.4° | 111.2° |
| N2 | C13 | H1 | 109.1° | 109.5° |
| N2 | C13 | H2 | 109.0° | 109.5° |
| C13 | C12 | C11 | 109.9° | 109.2° |
| C12 | C13 | H1 | 109.1° | 109.4° |
| C12 | C13 | H2 | 109.0° | 109.4° |
| C13 | C12 | H3 | 109.4° | 109.5° |
| C13 | C12 | H4 | 109.4° | 109.5° |
| N1 | C6 | O | 109.1° | 120.0° |
| N1 | C6 | O1 | 126.6° | 120.0° |
| C6 | N1 | H16 | 118.9° | 120.0° |
| N2 | C29 | C30 | 111.9° | 109.5° |
| N2 | C29 | H38 | 108.9° | 109.5° |
| N2 | C29 | H39 | 108.9° | 109.5° |
| C12 | C11 | C30 | 108.5° | 109.2° |
| C12 | C11 | C3 | 115.8° | 109.5° |
| C11 | C12 | H3 | 109.4° | 109.5° |
| C11 | C12 | H4 | 109.4° | 109.5° |
| C12 | C11 | H5 | 104.3° | 109.5° |
| C6 | O | C5 | 117.9° | 117.0° |
| O | C6 | O1 | 124.4° | 120.0° |
| O | C5 | C8 | 108.6° | 110.0° |
| O | C5 | C4 | 111.2° | 110.0° |
| O | C5 | H17 | 111.6° | 110.0° |
| C29 | C30 | C11 | 111.4° | 109.2° |
| C30 | C29 | H38 | 108.8° | 109.5° |
| C30 | C29 | H39 | 108.8° | 109.5° |
| C29 | C30 | H40 | 109.0° | 109.5° |
| C29 | C30 | H41 | 109.0° | 109.5° |
| C30 | C11 | C3 | 118.3° | 109.5° |
| C30 | C11 | H5 | 104.4° | 109.6° |
| C11 | C30 | H40 | 109.0° | 109.5° |
| C11 | C30 | H41 | 109.0° | 109.6° |
| C11 | C3 | C4 | 116.1° | 109.4° |
| C11 | C3 | C2 | 106.5° | 109.4° |
| C11 | C3 | C31 | 109.2° | 109.4° |
| C3 | C11 | H5 | 103.7° | 109.5° |
| C5 | C8 | C9 | 105.8° | 104.2° |
| C8 | C5 | C4 | 104.1° | 106.7° |
| C5 | C8 | H13 | 110.4° | 110.5° |
| C5 | C8 | H14 | 110.4° | 110.5° |
| C8 | C5 | H17 | 110.6° | 110.1° |
| C8 | C9 | C10 | 107.2° | 102.8° |
| C8 | C9 | H11 | 110.0° | 110.7° |
| C8 | C9 | H12 | 110.0° | 110.9° |
| C9 | C8 | H13 | 110.4° | 110.5° |
| C9 | C8 | H14 | 110.4° | 110.4° |
| C5 | C4 | C3 | 120.6° | 110.0° |
| C5 | C4 | C10 | 102.1° | 106.4° |
| C4 | C5 | H17 | 110.5° | 110.0° |
| C5 | C4 | H18 | 106.2° | 110.1° |
| C3 | C4 | C10 | 115.2° | 110.1° |
| C4 | C3 | C2 | 101.4° | 109.4° |
| C4 | C3 | C31 | 111.0° | 109.4° |
| C3 | C4 | H18 | 105.4° | 110.0° |
| C4 | C10 | C9 | 104.0° | 104.3° |
| C4 | C10 | H9 | 110.8° | 110.5° |
| C4 | C10 | H10 | 110.8° | 110.5° |
| C10 | C4 | H18 | 106.2° | 110.2° |
| C9 | C10 | H9 | 110.8° | 110.5° |
| C9 | C10 | H10 | 110.8° | 110.5° |
| C10 | C9 | H11 | 110.0° | 110.7° |
| C10 | C9 | H12 | 110.0° | 110.8° |
| C2 | C3 | C31 | 112.3° | 109.9° |
| C3 | C2 | N | 112.1° | 108.5° |
| C3 | C2 | H21 | 108.8° | 109.6° |
| C3 | C2 | H22 | 108.8° | 109.6° |
| C3 | C31 | C36 | 121.0° | 118.4° |
| C3 | C31 | C32 | 119.9° | 121.7° |
| C2 | N | C | 110.9° | 111.0° |
| C2 | N | C1 | 111.0° | 110.3° |
| N | C2 | H21 | 108.8° | 109.6° |
| N | C2 | H22 | 108.8° | 109.6° |
| C | N | C1 | 111.0° | 111.0° |
| N | C | H43 | 109.5° | 109.4° |
| N | C | H44 | 109.5° | 109.5° |
| N | C | H45 | 109.5° | 109.5° |
| N | C1 | C32 | 110.3° | 110.5° |
| N | C1 | H23 | 109.3° | 109.3° |
| N | C1 | H24 | 109.2° | 109.2° |
| C36 | C31 | C32 | 119.1° | 119.9° |
| C31 | C36 | C35 | 120.9° | 120.3° |
| C31 | C36 | H46 | 119.6° | 119.8° |
| C31 | C32 | C1 | 121.2° | 121.9° |
| C31 | C32 | C33 | 119.1° | 119.7° |
| C36 | C35 | C34 | 120.1° | 119.9° |
| C35 | C36 | H46 | 119.6° | 119.9° |
| C36 | C35 | H47 | 120.0° | 120.1° |
| C1 | C32 | C33 | 119.7° | 118.4° |
| C32 | C1 | H23 | 109.3° | 109.3° |
| C32 | C1 | H24 | 109.3° | 109.3° |
| C32 | C33 | C34 | 120.9° | 120.4° |
| C32 | C33 | H49 | 119.6° | 119.8° |
| C35 | C34 | C33 | 119.9° | 119.8° |
| C34 | C35 | H47 | 119.9° | 120.1° |
| C35 | C34 | H48 | 120.0° | 120.1° |
| C33 | C34 | H48 | 120.0° | 120.1° |
| C34 | C33 | H49 | 119.5° | 119.8° |
| H1 | C13 | H2 | 109.5° | 109.5° |
| H3 | C12 | H4 | 109.5° | 109.6° |
| H6 | C7 | H7 | 109.5° | 109.4° |
| H6 | C7 | H8 | 109.5° | 109.5° |
| H7 | C7 | H8 | 109.5° | 109.5° |
| H9 | C10 | H10 | 109.5° | 110.4° |
| H11 | C9 | H12 | 109.4° | 110.7° |
| H13 | C8 | H14 | 109.5° | 110.6° |
| H21 | C2 | H22 | 109.5° | 109.8° |
| H23 | C1 | H24 | 109.5° | 109.3° |
| H25 | C14 | H26 | 109.5° | 109.5° |
| H27 | C16 | H28 | 109.5° | 112.8° |
| H36 | C28 | H37 | 109.5° | 112.8° |
| H38 | C29 | H39 | 109.5° | 109.4° |
| H40 | C30 | H41 | 109.5° | 109.5° |
| H43 | C | H44 | 109.5° | 109.4° |
| H43 | C | H45 | 109.4° | 109.5° |
| H44 | C | H45 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N4 | C23 | C22 | H19 | 180.0° | 179.6° |
| N4 | C23 | C22 | C21 | 0.1° | 0.0° |
| C23 | N4 | C24 | C25 | 0.3° | 0.1° |
| C23 | N4 | C24 | H20 | 179.7° | 179.9° |
| N4 | C23 | C22 | H31 | 179.9° | 180.0° |
| C22 | C23 | N4 | C24 | 0.7° | 0.1° |
| C23 | C22 | C21 | H31 | 180.0° | 180.0° |
| C23 | C22 | C21 | C25 | 1.0° | 0.0° |
| C23 | C22 | C21 | S | 174.6° | 180.0° |
| N4 | C24 | C25 | H20 | 180.0° | 180.0° |
| N4 | C24 | C25 | C21 | 0.7° | 0.1° |
| C24 | N4 | C23 | H19 | 179.3° | 179.7° |
| N4 | C24 | C25 | H33 | 179.3° | 180.0° |
| C22 | C21 | C25 | C24 | 1.4° | 0.1° |
| C22 | C21 | C25 | S | 175.6° | 179.9° |
| C22 | C21 | S | O2 | 35.0° | 23.5° |
| C22 | C21 | S | C20 | 79.9° | 90.0° |
| C22 | C21 | S | O3 | 165.2° | 156.4° |
| C21 | C22 | C23 | H19 | 179.9° | 179.7° |
| C22 | C21 | C25 | H33 | 178.6° | 180.0° |
| C24 | C25 | C21 | H33 | 180.0° | 179.9° |
| C24 | C25 | C21 | S | 174.2° | 180.0° |
| C25 | C21 | S | O2 | 149.4° | 156.4° |
| C25 | C21 | S | C20 | 95.7° | 90.1° |
| C25 | C21 | S | O3 | 19.2° | 23.5° |
| C21 | C25 | C24 | H20 | 179.3° | 179.9° |
| C25 | C21 | C22 | H31 | 179.0° | 180.0° |
| C21 | S | O2 | C20 | 112.3° | 114.1° |
| C21 | S | O2 | O3 | 124.0° | 122.9° |
| C21 | S | C20 | O3 | 115.1° | 113.6° |
| C21 | S | C20 | C19 | 86.1° | 90.2° |
| C21 | S | C20 | C26 | 93.8° | 90.0° |
| S | C21 | C22 | H31 | 5.4° | 0.0° |
| S | C21 | C25 | H33 | 5.8° | 0.1° |
| O2 | S | C20 | O3 | 130.0° | 132.9° |
| O2 | S | C20 | C19 | 28.9° | 23.3° |
| O2 | S | C20 | C26 | 151.2° | 156.5° |
| S | C20 | C19 | C18 | 179.1° | 180.0° |
| S | C20 | C19 | C26 | 179.9° | 179.8° |
| S | C20 | C26 | C27 | 179.2° | 180.0° |
| S | C20 | C19 | H32 | 0.9° | 0.0° |
| S | C20 | C26 | H34 | 0.8° | 0.0° |
| O3 | S | C20 | C19 | 158.9° | 156.2° |
| O3 | S | C20 | C26 | 21.2° | 23.6° |
| C18 | C19 | C20 | H32 | 180.0° | 180.0° |
| C19 | C18 | C17 | H30 | 180.0° | 179.9° |
| C18 | C19 | C20 | C26 | 1.0° | 0.2° |
| C19 | C18 | C17 | N3 | 176.4° | 180.0° |
| C19 | C18 | C17 | C27 | 1.1° | 0.3° |
| C20 | C19 | C18 | C17 | 0.0° | 0.0° |
| C19 | C20 | C26 | C27 | 0.9° | 0.2° |
| C20 | C19 | C18 | H30 | 180.0° | 179.9° |
| C19 | C20 | C26 | H34 | 179.1° | 179.7° |
| C18 | C17 | N3 | C27 | 177.5° | 179.8° |
| C18 | C17 | C27 | C26 | 1.2° | 0.3° |
| C18 | C17 | N3 | C16 | 28.8° | 132.6° |
| C18 | C17 | N3 | C28 | 152.1° | 36.6° |
| C17 | C18 | C19 | H32 | 180.0° | 180.0° |
| C18 | C17 | C27 | H35 | 178.8° | 179.7° |
| C20 | C26 | C27 | C17 | 0.2° | 0.0° |
| C20 | C26 | C27 | H34 | 180.0° | 180.0° |
| C26 | C20 | C19 | H32 | 179.0° | 179.8° |
| C20 | C26 | C27 | H35 | 179.8° | 180.0° |
| N3 | C17 | C27 | C26 | 176.3° | 180.0° |
| C17 | N3 | C16 | C28 | 179.4° | 111.7° |
| C17 | N3 | C16 | C15 | 174.3° | 138.7° |
| C17 | N3 | C28 | C15 | 174.3° | 138.7° |
| C17 | N3 | C16 | H27 | 69.6° | 24.0° |
| C17 | N3 | C16 | H28 | 58.2° | 106.5° |
| N3 | C17 | C18 | H30 | 3.6° | 0.1° |
| N3 | C17 | C27 | H35 | 3.7° | 0.1° |
| C17 | N3 | C28 | H36 | 58.3° | 106.5° |
| C17 | N3 | C28 | H37 | 69.6° | 23.9° |
| C17 | C27 | C26 | H35 | 180.0° | 180.0° |
| C27 | C17 | N3 | C16 | 148.7° | 47.7° |
| C27 | C17 | N3 | C28 | 30.4° | 143.6° |
| C27 | C17 | C18 | H30 | 178.9° | 179.8° |
| C17 | C27 | C26 | H34 | 179.7° | 180.0° |
| N3 | C16 | C15 | H27 | 116.1° | 114.8° |
| N3 | C16 | C15 | H28 | 116.1° | 114.8° |
| N3 | C16 | C15 | C28 | 5.9° | 26.1° |
| N3 | C16 | C15 | C14 | 121.9° | 139.7° |
| N3 | C16 | H27 | H28 | 130.4° | 130.8° |
| N3 | C16 | C15 | H29 | 108.0° | 87.6° |
| C16 | N3 | C28 | H36 | 122.4° | 141.8° |
| C16 | N3 | C28 | H37 | 109.7° | 87.8° |
| C16 | C15 | C28 | C14 | 114.6° | 113.7° |
| C16 | C15 | C28 | H29 | 113.9° | 113.6° |
| C16 | C15 | C14 | H29 | 129.6° | 133.0° |
| C16 | C15 | C14 | N2 | 177.0° | 175.0° |
| C16 | C15 | C14 | H25 | 56.5° | 54.9° |
| C16 | C15 | C14 | H26 | 62.5° | 65.1° |
| C15 | C16 | H27 | H28 | 130.4° | 130.8° |
| C16 | C15 | C28 | H36 | 121.9° | 140.7° |
| C16 | C15 | C28 | H37 | 110.1° | 88.8° |
| N3 | C28 | C15 | H36 | 116.0° | 114.7° |
| N3 | C28 | C15 | H37 | 116.0° | 114.8° |
| N3 | C28 | C15 | C14 | 120.4° | 139.7° |
| C28 | N3 | C16 | H27 | 109.8° | 87.7° |
| C28 | N3 | C16 | H28 | 122.4° | 141.8° |
| N3 | C28 | C15 | H29 | 108.0° | 87.6° |
| N3 | C28 | H36 | H37 | 130.5° | 130.8° |
| C28 | C15 | C14 | H29 | 131.1° | 133.1° |
| C28 | C15 | C14 | N2 | 77.8° | 91.2° |
| C28 | C15 | C14 | H25 | 42.7° | 148.8° |
| C28 | C15 | C14 | H26 | 161.7° | 28.8° |
| C28 | C15 | C16 | H27 | 110.2° | 88.7° |
| C28 | C15 | C16 | H28 | 122.0° | 140.8° |
| C15 | C28 | H36 | H37 | 130.5° | 130.9° |
| C15 | C14 | N2 | H25 | 120.5° | 120.0° |
| C15 | C14 | N2 | H26 | 120.5° | 120.0° |
| C15 | C14 | N2 | C13 | 91.0° | 170.1° |
| C15 | C14 | N2 | C29 | 151.1° | 65.8° |
| C15 | C14 | H25 | H26 | 118.5° | 120.0° |
| C14 | C15 | C16 | H27 | 5.8° | 25.0° |
| C14 | C15 | C16 | H28 | 122.0° | 105.5° |
| C14 | C15 | C28 | H36 | 123.5° | 105.6° |
| C14 | C15 | C28 | H37 | 4.4° | 24.9° |
| C7 | N1 | C6 | H16 | 180.0° | 179.9° |
| C7 | N1 | C6 | O | 0.1° | 179.9° |
| C7 | N1 | C6 | O1 | 179.5° | 0.0° |
| N1 | C7 | H6 | H7 | 120.0° | 120.0° |
| N1 | C7 | H6 | H8 | 120.0° | 120.1° |
| N1 | C7 | H7 | H8 | 120.0° | 120.0° |
| C14 | N2 | C13 | C29 | 116.6° | 124.0° |
| C14 | N2 | C13 | C12 | 177.8° | 174.2° |
| C14 | N2 | C29 | C30 | 175.3° | 174.2° |
| C14 | N2 | C13 | H1 | 57.5° | 54.2° |
| C14 | N2 | C13 | H2 | 62.0° | 65.8° |
| N2 | C14 | H25 | H26 | 118.5° | 120.0° |
| N2 | C14 | C15 | H29 | 53.4° | 41.9° |
| C14 | N2 | C29 | H38 | 64.3° | 54.2° |
| C14 | N2 | C29 | H39 | 55.0° | 65.8° |
| N2 | C13 | C12 | H1 | 120.3° | 120.0° |
| N2 | C13 | C12 | H2 | 120.2° | 120.0° |
| N2 | C13 | C12 | C11 | 61.0° | 59.2° |
| C13 | N2 | C29 | C30 | 58.4° | 61.8° |
| N2 | C13 | H1 | H2 | 119.2° | 120.0° |
| N2 | C13 | C12 | H3 | 178.9° | 179.1° |
| N2 | C13 | C12 | H4 | 59.0° | 60.7° |
| C13 | N2 | C14 | H25 | 148.6° | 50.0° |
| C13 | N2 | C14 | H26 | 29.5° | 70.0° |
| C13 | N2 | C29 | H38 | 178.7° | 178.2° |
| C13 | N2 | C29 | H39 | 62.0° | 58.2° |
| C12 | C13 | N2 | C29 | 61.2° | 61.8° |
| C13 | C12 | C11 | H3 | 120.0° | 119.9° |
| C13 | C12 | C11 | H4 | 120.1° | 119.9° |
| C13 | C12 | C11 | C30 | 55.9° | 57.7° |
| C13 | C12 | C11 | C3 | 168.3° | 177.6° |
| C12 | C13 | H1 | H2 | 119.2° | 119.9° |
| C13 | C12 | H3 | H4 | 119.8° | 120.1° |
| C13 | C12 | C11 | H5 | 55.0° | 62.3° |
| N1 | C6 | O | O1 | 179.6° | 179.9° |
| N1 | C6 | O | C5 | 176.0° | 180.0° |
| C6 | N1 | C7 | H6 | 180.0° | 60.0° |
| C6 | N1 | C7 | H7 | 60.0° | 60.0° |
| C6 | N1 | C7 | H8 | 60.0° | 180.0° |
| N2 | C29 | C30 | H38 | 120.3° | 120.0° |
| N2 | C29 | C30 | H39 | 120.4° | 120.1° |
| N2 | C29 | C30 | C11 | 55.9° | 59.2° |
| C29 | N2 | C13 | H1 | 59.1° | 178.2° |
| C29 | N2 | C13 | H2 | 178.6° | 58.2° |
| C29 | N2 | C14 | H25 | 30.6° | 174.2° |
| C29 | N2 | C14 | H26 | 88.4° | 54.2° |
| N2 | C29 | H38 | H39 | 118.9° | 120.0° |
| N2 | C29 | C30 | H40 | 64.4° | 179.2° |
| N2 | C29 | C30 | H41 | 176.1° | 60.8° |
| C12 | C11 | C30 | C29 | 53.6° | 57.7° |
| C12 | C11 | C30 | C3 | 134.6° | 119.9° |
| C12 | C11 | C30 | H5 | 110.8° | 120.0° |
| C12 | C11 | C3 | H5 | 113.7° | 120.2° |
| C12 | C11 | C3 | C4 | 41.9° | 180.0° |
| C12 | C11 | C3 | C2 | 70.2° | 60.2° |
| C12 | C11 | C3 | C31 | 168.4° | 60.2° |
| C11 | C12 | C13 | H1 | 59.2° | 179.2° |
| C11 | C12 | C13 | H2 | 178.7° | 60.8° |
| C11 | C12 | H3 | H4 | 119.8° | 120.1° |
| C12 | C11 | C30 | H40 | 66.6° | 177.6° |
| C12 | C11 | C30 | H41 | 173.9° | 62.2° |
| C6 | O | C5 | C8 | 115.3° | 91.5° |
| C6 | O | C5 | C4 | 130.7° | 151.3° |
| O | C6 | N1 | H16 | 179.9° | 0.0° |
| C6 | O | C5 | H17 | 6.9° | 30.0° |
| C5 | O | C6 | O1 | 4.4° | 0.0° |
| O | C5 | C8 | C4 | 118.5° | 119.3° |
| O | C5 | C8 | H17 | 122.8° | 121.4° |
| O | C5 | C8 | C9 | 143.4° | 95.7° |
| O | C5 | C4 | H17 | 124.5° | 121.4° |
| O | C5 | C4 | C3 | 74.7° | 121.4° |
| O | C5 | C4 | C10 | 156.0° | 119.3° |
| O | C5 | C8 | H13 | 97.1° | 23.0° |
| O | C5 | C8 | H14 | 24.0° | 145.7° |
| O | C5 | C4 | H18 | 44.9° | 0.0° |
| O1 | C6 | N1 | H16 | 0.5° | 179.9° |
| C29 | C30 | C11 | H40 | 120.3° | 119.9° |
| C29 | C30 | C11 | H41 | 120.3° | 120.0° |
| C29 | C30 | C11 | C3 | 171.8° | 177.6° |
| C29 | C30 | C11 | H5 | 57.2° | 62.3° |
| C30 | C29 | H38 | H39 | 118.9° | 120.0° |
| C29 | C30 | H40 | H41 | 119.2° | 120.1° |
| C30 | C11 | C3 | H5 | 114.9° | 120.2° |
| C30 | C11 | C3 | C4 | 173.3° | 60.3° |
| C30 | C11 | C3 | C2 | 61.2° | 179.9° |
| C30 | C11 | C3 | C31 | 60.3° | 59.5° |
| C30 | C11 | C12 | H3 | 175.9° | 177.6° |
| C30 | C11 | C12 | H4 | 64.2° | 62.2° |
| C11 | C30 | C29 | H38 | 176.2° | 179.2° |
| C11 | C30 | C29 | H39 | 64.5° | 60.8° |
| C11 | C30 | H40 | H41 | 119.1° | 120.2° |
| C11 | C3 | C4 | C5 | 67.3° | 180.0° |
| C11 | C3 | C4 | C2 | 115.0° | 119.8° |
| C11 | C3 | C4 | C31 | 125.6° | 119.8° |
| C11 | C3 | C4 | C10 | 169.5° | 63.0° |
| C11 | C3 | C2 | C31 | 119.5° | 120.0° |
| C11 | C3 | C2 | N | 92.1° | 69.7° |
| C11 | C3 | C31 | C36 | 58.4° | 76.7° |
| C11 | C3 | C31 | C32 | 122.4° | 103.3° |
| C3 | C11 | C12 | H3 | 48.3° | 62.5° |
| C3 | C11 | C12 | H4 | 71.6° | 57.7° |
| C11 | C3 | C4 | H18 | 52.7° | 58.6° |
| C11 | C3 | C2 | H21 | 147.4° | 170.6° |
| C11 | C3 | C2 | H22 | 28.2° | 50.0° |
| C3 | C11 | C30 | H40 | 67.9° | 62.5° |
| C3 | C11 | C30 | H41 | 51.5° | 57.7° |
| C5 | C8 | C9 | H13 | 119.4° | 118.7° |
| C5 | C8 | C9 | H14 | 119.4° | 118.7° |
| C8 | C5 | C4 | H17 | 118.8° | 119.3° |
| C8 | C5 | C4 | C3 | 168.5° | 119.3° |
| C8 | C5 | C4 | C10 | 39.3° | 0.0° |
| C5 | C8 | C9 | C10 | 0.6° | 37.9° |
| C5 | C8 | C9 | H11 | 119.1° | 80.3° |
| C5 | C8 | C9 | H12 | 120.2° | 156.3° |
| C5 | C8 | H13 | H14 | 121.7° | 122.6° |
| C8 | C5 | C4 | H18 | 71.8° | 119.3° |
| C9 | C8 | C5 | C4 | 24.9° | 23.6° |
| C8 | C9 | C10 | C4 | 23.9° | 38.0° |
| C8 | C9 | C10 | H11 | 119.7° | 118.3° |
| C8 | C9 | C10 | H12 | 119.7° | 118.5° |
| C8 | C9 | C10 | H9 | 143.0° | 80.7° |
| C8 | C9 | C10 | H10 | 95.3° | 156.7° |
| C8 | C9 | H11 | H12 | 121.0° | 123.5° |
| C9 | C8 | H13 | H14 | 121.7° | 122.6° |
| C9 | C8 | C5 | H17 | 93.8° | 142.9° |
| C5 | C4 | C3 | C10 | 123.2° | 117.0° |
| C5 | C4 | C3 | H18 | 120.0° | 121.5° |
| C5 | C4 | C10 | H18 | 111.1° | 119.3° |
| C5 | C4 | C10 | C9 | 38.8° | 23.6° |
| C5 | C4 | C3 | C2 | 177.7° | 60.2° |
| C5 | C4 | C3 | C31 | 58.2° | 60.2° |
| C5 | C4 | C10 | H9 | 158.0° | 95.1° |
| C5 | C4 | C10 | H10 | 80.3° | 142.4° |
| C4 | C5 | C8 | H13 | 144.3° | 142.3° |
| C4 | C5 | C8 | H14 | 94.5° | 95.0° |
| C3 | C4 | C10 | H18 | 116.3° | 121.5° |
| C3 | C4 | C10 | C9 | 171.4° | 142.8° |
| C4 | C3 | C2 | C31 | 118.6° | 120.1° |
| C4 | C3 | C2 | N | 145.9° | 170.4° |
| C4 | C3 | C31 | C36 | 70.9° | 43.2° |
| C4 | C3 | C31 | C32 | 108.3° | 136.9° |
| C4 | C3 | C11 | H5 | 71.8° | 59.9° |
| C3 | C4 | C10 | H9 | 69.5° | 24.1° |
| C3 | C4 | C10 | H10 | 52.3° | 98.4° |
| C3 | C4 | C5 | H17 | 49.8° | 0.1° |
| C4 | C3 | C2 | H21 | 25.5° | 50.8° |
| C4 | C3 | C2 | H22 | 93.7° | 69.8° |
| C4 | C10 | C9 | H9 | 119.1° | 118.7° |
| C4 | C10 | C9 | H10 | 119.1° | 118.7° |
| C10 | C4 | C3 | C2 | 54.5° | 56.8° |
| C10 | C4 | C3 | C31 | 65.0° | 177.2° |
| C4 | C10 | H9 | H10 | 122.5° | 122.5° |
| C4 | C10 | C9 | H11 | 143.5° | 80.3° |
| C4 | C10 | C9 | H12 | 95.8° | 156.5° |
| C10 | C4 | C5 | H17 | 79.5° | 119.3° |
| C9 | C10 | H9 | H10 | 122.5° | 122.6° |
| C10 | C9 | H11 | H12 | 121.0° | 123.2° |
| C10 | C9 | C8 | H13 | 120.0° | 156.6° |
| C10 | C9 | C8 | H14 | 118.8° | 80.7° |
| C9 | C10 | C4 | H18 | 72.3° | 95.6° |
| C3 | C2 | N | H21 | 120.4° | 119.7° |
| C3 | C2 | N | H22 | 120.4° | 119.7° |
| C3 | C2 | N | C | 173.8° | 165.3° |
| C3 | C2 | N | C1 | 62.4° | 71.3° |
| C2 | C3 | C31 | C36 | 176.3° | 163.3° |
| C2 | C3 | C31 | C32 | 4.5° | 16.7° |
| C2 | C3 | C11 | H5 | 176.1° | 60.0° |
| C2 | C3 | C4 | H18 | 62.3° | 178.4° |
| C3 | C2 | H21 | H22 | 118.8° | 120.5° |
| C31 | C3 | C2 | N | 27.4° | 50.3° |
| C3 | C31 | C36 | C32 | 179.2° | 180.0° |
| C3 | C31 | C36 | C35 | 177.6° | 179.9° |
| C3 | C31 | C32 | C1 | 3.3° | 0.2° |
| C3 | C31 | C32 | C33 | 177.7° | 179.8° |
| C31 | C3 | C11 | H5 | 54.7° | 179.7° |
| C31 | C3 | C4 | H18 | 178.2° | 61.2° |
| C31 | C3 | C2 | H21 | 93.1° | 69.4° |
| C31 | C3 | C2 | H22 | 147.7° | 170.1° |
| C3 | C31 | C36 | H46 | 2.4° | 0.2° |
| C2 | N | C | C1 | 123.9° | 123.0° |
| C2 | N | C1 | C32 | 63.0° | 52.5° |
| N | C2 | H21 | H22 | 118.8° | 120.5° |
| C2 | N | C1 | H23 | 57.1° | 67.8° |
| C2 | N | C1 | H24 | 176.8° | 172.7° |
| C2 | N | C | H43 | 180.0° | 60.1° |
| C2 | N | C | H44 | 60.0° | 180.0° |
| C2 | N | C | H45 | 60.0° | 60.0° |
| C | N | C1 | C32 | 173.1° | 175.9° |
| C | N | C2 | H21 | 65.8° | 75.0° |
| C | N | C2 | H22 | 53.4° | 45.6° |
| C | N | C1 | H23 | 66.7° | 55.6° |
| C | N | C1 | H24 | 53.0° | 63.9° |
| N | C | H43 | H44 | 120.0° | 120.0° |
| N | C | H43 | H45 | 120.0° | 120.1° |
| N | C | H44 | H45 | 120.0° | 120.1° |
| N | C1 | C32 | C31 | 29.4° | 17.4° |
| N | C1 | C32 | H23 | 120.1° | 120.3° |
| N | C1 | C32 | H24 | 120.1° | 120.2° |
| N | C1 | C32 | C33 | 149.6° | 162.6° |
| C1 | N | C2 | H21 | 58.0° | 48.4° |
| C1 | N | C2 | H22 | 177.2° | 169.0° |
| N | C1 | H23 | H24 | 119.6° | 119.4° |
| C1 | N | C | H43 | 56.1° | 177.0° |
| C1 | N | C | H44 | 63.9° | 57.0° |
| C1 | N | C | H45 | 176.1° | 63.0° |
| C31 | C36 | C35 | H46 | 180.0° | 180.0° |
| C36 | C31 | C32 | C1 | 177.5° | 179.8° |
| C36 | C31 | C32 | C33 | 1.5° | 0.2° |
| C31 | C36 | C35 | C34 | 0.6° | 0.1° |
| C31 | C36 | C35 | H47 | 179.4° | 180.0° |
| C32 | C31 | C36 | C35 | 1.6° | 0.1° |
| C31 | C32 | C1 | C33 | 179.0° | 180.0° |
| C31 | C32 | C33 | C34 | 0.5° | 0.2° |
| C31 | C32 | C1 | H23 | 90.8° | 102.9° |
| C31 | C32 | C1 | H24 | 149.5° | 137.6° |
| C32 | C31 | C36 | H46 | 178.4° | 179.9° |
| C31 | C32 | C33 | H49 | 179.5° | 179.8° |
| C36 | C35 | C34 | H47 | 180.0° | 179.9° |
| C36 | C35 | C34 | C33 | 0.4° | 0.1° |
| C36 | C35 | C34 | H48 | 179.6° | 179.8° |
| C1 | C32 | C33 | C34 | 178.5° | 179.9° |
| C32 | C1 | H23 | H24 | 119.6° | 119.5° |
| C1 | C32 | C33 | H49 | 1.5° | 0.2° |
| C32 | C33 | C34 | C35 | 0.5° | 0.0° |
| C32 | C33 | C34 | H49 | 180.0° | 180.0° |
| C33 | C32 | C1 | H23 | 90.2° | 77.1° |
| C33 | C32 | C1 | H24 | 29.5° | 42.4° |
| C32 | C33 | C34 | H48 | 179.5° | 180.0° |
| C35 | C34 | C33 | H48 | 180.0° | 180.0° |
| C34 | C35 | C36 | H46 | 179.4° | 180.0° |
| C35 | C34 | C33 | H49 | 179.6° | 180.0° |
| C33 | C34 | C35 | H47 | 179.6° | 179.9° |
| H1 | C13 | C12 | H3 | 60.8° | 60.8° |
| H1 | C13 | C12 | H4 | 179.3° | 59.3° |
| H2 | C13 | C12 | H3 | 58.7° | 59.1° |
| H2 | C13 | C12 | H4 | 61.2° | 179.3° |
| H3 | C12 | C11 | H5 | 65.1° | 57.6° |
| H4 | C12 | C11 | H5 | 175.0° | 177.8° |
| H5 | C11 | C30 | H40 | 177.5° | 57.7° |
| H5 | C11 | C30 | H41 | 63.1° | 177.8° |
| H6 | C7 | H7 | H8 | 120.0° | 120.0° |
| H6 | C7 | N1 | H16 | 0.0° | 119.9° |
| H7 | C7 | N1 | H16 | 120.0° | 120.1° |
| H8 | C7 | N1 | H16 | 120.0° | 0.1° |
| H9 | C10 | C9 | H11 | 97.3° | 161.0° |
| H9 | C10 | C9 | H12 | 23.3° | 37.8° |
| H9 | C10 | C4 | H18 | 46.9° | 145.6° |
| H10 | C10 | C9 | H11 | 24.4° | 38.4° |
| H10 | C10 | C9 | H12 | 145.1° | 84.7° |
| H10 | C10 | C4 | H18 | 168.6° | 23.1° |
| H11 | C9 | C8 | H13 | 0.3° | 38.3° |
| H11 | C9 | C8 | H14 | 121.5° | 161.0° |
| H12 | C9 | C8 | H13 | 120.4° | 85.0° |
| H12 | C9 | C8 | H14 | 0.8° | 37.7° |
| H13 | C8 | C5 | H17 | 25.6° | 98.4° |
| H14 | C8 | C5 | H17 | 146.8° | 24.3° |
| H17 | C5 | C4 | H18 | 169.4° | 121.4° |
| H19 | C23 | C22 | H31 | 0.1° | 0.3° |
| H20 | C24 | C25 | H33 | 0.7° | 0.0° |
| H25 | C14 | C15 | H29 | 173.9° | 78.1° |
| H26 | C14 | C15 | H29 | 67.1° | 161.9° |
| H27 | C16 | C15 | H29 | 135.9° | 157.6° |
| H28 | C16 | C15 | H29 | 8.1° | 27.1° |
| H29 | C15 | C28 | H36 | 8.0° | 27.1° |
| H29 | C15 | C28 | H37 | 136.0° | 157.6° |
| H30 | C18 | C19 | H32 | 0.0° | 0.1° |
| H34 | C26 | C27 | H35 | 0.2° | 0.0° |
| H38 | C29 | C30 | H40 | 55.9° | 60.8° |
| H38 | C29 | C30 | H41 | 63.5° | 59.2° |
| H39 | C29 | C30 | H40 | 175.2° | 59.1° |
| H39 | C29 | C30 | H41 | 55.8° | 179.2° |
| H43 | C | H44 | H45 | 120.0° | 120.0° |
| H46 | C36 | C35 | H47 | 0.6° | 0.0° |
| H47 | C35 | C34 | H48 | 0.4° | 0.1° |
| H48 | C34 | C33 | H49 | 0.4° | 0.0° |
