5N7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C37 | C38 | sing | 1.53Å | 1.53Å | |
| C37 | C36 | sing | 1.53Å | 1.52Å | |
| C38 | C33 | sing | 1.53Å | 1.52Å | |
| O3 | S | doub | 1.42Å | 1.43Å | |
| C36 | C35 | sing | 1.53Å | 1.52Å | |
| C33 | N8 | sing | 1.46Å | 1.47Å | |
| C33 | C34 | sing | 1.53Å | 1.52Å | |
| N2 | C7 | doub | 1.30Å | 1.31Å | |
| S | N8 | sing | 1.66Å | 1.61Å | |
| S | O4 | doub | 1.42Å | 1.43Å | |
| S | N7 | sing | 1.66Å | 1.60Å | |
| C35 | C34 | sing | 1.53Å | 1.53Å | |
| C7 | N1 | sing | 1.38Å | 1.31Å | |
| C7 | C6 | sing | 1.48Å | 1.47Å | |
| N7 | C32 | sing | 1.46Å | 1.46Å | |
| C8 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| C9 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C32 | C31 | sing | 1.53Å | 1.54Å | |
| C32 | C39 | sing | 1.51Å | 1.52Å | |
| C5 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C31 | C28 | sing | 1.51Å | 1.51Å | |
| O5 | C39 | doub | 1.21Å | 1.23Å | |
| C39 | N9 | sing | 1.37Å | 1.33Å | |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.51Å | 1.51Å | |
| C27 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| O | C1 | doub | 1.21Å | 1.24Å | |
| C2 | N | sing | 1.47Å | 1.46Å | |
| N9 | C | sing | 1.48Å | 1.46Å | |
| C1 | N | sing | 1.35Å | 1.33Å | |
| C1 | C | sing | 1.51Å | 1.53Å | |
| C26 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| C29 | C30 | doub | 1.38Å | 1.38Å | Aromatic |
| C | C10 | sing | 1.53Å | 1.54Å | |
| C25 | C30 | sing | 1.39Å | 1.39Å | Aromatic |
| C25 | N6 | sing | 1.42Å | 1.41Å | |
| O2 | C24 | doub | 1.21Å | 1.23Å | |
| C11 | C10 | sing | 1.51Å | 1.50Å | |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | N3 | sing | 1.40Å | 1.42Å | |
| N3 | C17 | sing | 1.35Å | 1.35Å | |
| C24 | N6 | sing | 1.38Å | 1.35Å | |
| C24 | C23 | sing | 1.50Å | 1.50Å | |
| C17 | C18 | sing | 1.51Å | 1.51Å | |
| C17 | O1 | doub | 1.21Å | 1.23Å | |
| C18 | C19 | sing | 1.53Å | 1.51Å | |
| C41 | C40 | sing | 1.53Å | 1.51Å | |
| C41 | N4 | sing | 1.45Å | 1.49Å | |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| C40 | N5 | sing | 1.44Å | 1.47Å | |
| C22 | N5 | sing | 1.44Å | 1.48Å | |
| C21 | N5 | sing | 1.44Å | 1.47Å | |
| C21 | C20 | sing | 1.53Å | 1.55Å | |
| C19 | N4 | sing | 1.45Å | 1.51Å | |
| N4 | C20 | sing | 1.45Å | 1.50Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.08Å | 1.08Å | |
| C13 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| N1 | H6 | sing | 0.97Å | 1.00Å | |
| N1 | H7 | sing | 0.97Å | 1.00Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| N2 | H10 | sing | 0.97Å | 1.00Å | |
| N3 | H11 | sing | 0.97Å | 1.00Å | |
| C4 | H12 | sing | 1.08Å | 1.08Å | |
| C5 | H14 | sing | 1.08Å | 1.08Å | |
| N6 | H16 | sing | 0.97Å | 1.00Å | |
| N7 | H17 | sing | 0.97Å | 1.00Å | |
| C8 | H18 | sing | 1.08Å | 1.08Å | |
| N8 | H19 | sing | 0.97Å | 1.00Å | |
| C9 | H20 | sing | 1.08Å | 1.08Å | |
| N9 | H21 | sing | 0.97Å | 1.00Å | |
| C16 | H22 | sing | 1.08Å | 1.08Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| C20 | H28 | sing | 1.09Å | 1.10Å | |
| C21 | H29 | sing | 1.09Å | 1.10Å | |
| C21 | H30 | sing | 1.09Å | 1.10Å | |
| C22 | H31 | sing | 1.09Å | 1.10Å | |
| C22 | H32 | sing | 1.09Å | 1.10Å | |
| C23 | H33 | sing | 1.09Å | 1.10Å | |
| C23 | H34 | sing | 1.09Å | 1.10Å | |
| C26 | H35 | sing | 1.08Å | 1.08Å | |
| C27 | H36 | sing | 1.08Å | 1.08Å | |
| C29 | H37 | sing | 1.08Å | 1.08Å | |
| C30 | H38 | sing | 1.08Å | 1.08Å | |
| C31 | H39 | sing | 1.09Å | 1.10Å | |
| C31 | H40 | sing | 1.09Å | 1.10Å | |
| C32 | H41 | sing | 1.09Å | 1.10Å | |
| C33 | H42 | sing | 1.09Å | 1.10Å | |
| C34 | H43 | sing | 1.09Å | 1.10Å | |
| C34 | H44 | sing | 1.09Å | 1.10Å | |
| C35 | H45 | sing | 1.09Å | 1.10Å | |
| C35 | H46 | sing | 1.09Å | 1.10Å | |
| C36 | H47 | sing | 1.09Å | 1.10Å | |
| C36 | H48 | sing | 1.09Å | 1.10Å | |
| C37 | H49 | sing | 1.09Å | 1.10Å | |
| C37 | H50 | sing | 1.09Å | 1.10Å | |
| C38 | H51 | sing | 1.09Å | 1.10Å | |
| C38 | H52 | sing | 1.09Å | 1.10Å | |
| C40 | H53 | sing | 1.09Å | 1.10Å | |
| C40 | H54 | sing | 1.09Å | 1.10Å | |
| C41 | H55 | sing | 1.09Å | 1.10Å | |
| C41 | H56 | sing | 1.09Å | 1.10Å | |
| C | H57 | sing | 1.09Å | 1.10Å | |
| N | H58 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C38 | C37 | C36 | 111.2° | 109.5° |
| C37 | C38 | C33 | 111.2° | 109.5° |
| C38 | C37 | H49 | 109.1° | 109.5° |
| C38 | C37 | H50 | 109.0° | 109.5° |
| C37 | C38 | H51 | 109.0° | 109.5° |
| C37 | C38 | H52 | 109.1° | 109.5° |
| C37 | C36 | C35 | 110.7° | 109.5° |
| C37 | C36 | H47 | 109.2° | 109.5° |
| C37 | C36 | H48 | 109.2° | 109.5° |
| C36 | C37 | H49 | 109.0° | 109.5° |
| C36 | C37 | H50 | 109.1° | 109.4° |
| C38 | C33 | N8 | 109.8° | 109.5° |
| C38 | C33 | C34 | 110.6° | 109.4° |
| C38 | C33 | H42 | 108.7° | 109.4° |
| C33 | C38 | H51 | 109.0° | 109.5° |
| C33 | C38 | H52 | 109.0° | 109.5° |
| O3 | S | N8 | 108.0° | 106.4° |
| O3 | S | O4 | 119.8° | 123.2° |
| O3 | S | N7 | 107.0° | 106.4° |
| C36 | C35 | C34 | 111.2° | 109.4° |
| C36 | C35 | H45 | 109.0° | 109.4° |
| C36 | C35 | H46 | 109.0° | 109.5° |
| C35 | C36 | H47 | 109.2° | 109.4° |
| C35 | C36 | H48 | 109.2° | 109.5° |
| N8 | C33 | C34 | 109.9° | 109.5° |
| C33 | N8 | S | 127.2° | 120.0° |
| C33 | N8 | H19 | 104.9° | 120.0° |
| N8 | C33 | H42 | 109.3° | 109.6° |
| C33 | C34 | C35 | 111.5° | 109.5° |
| C34 | C33 | H42 | 108.6° | 109.4° |
| C33 | C34 | H43 | 109.0° | 109.4° |
| C33 | C34 | H44 | 109.0° | 109.5° |
| N2 | C7 | N1 | 119.8° | 120.0° |
| N2 | C7 | C6 | 120.1° | 120.0° |
| C7 | N2 | H10 | 112.0° | 119.9° |
| N8 | S | O4 | 106.8° | 106.4° |
| N8 | S | N7 | 106.9° | 107.2° |
| S | N8 | H19 | 104.9° | 120.0° |
| O4 | S | N7 | 107.7° | 106.4° |
| S | N7 | C32 | 121.4° | 120.0° |
| S | N7 | H17 | 106.4° | 120.0° |
| C35 | C34 | H43 | 108.9° | 109.4° |
| C35 | C34 | H44 | 108.9° | 109.5° |
| C34 | C35 | H45 | 109.0° | 109.5° |
| C34 | C35 | H46 | 109.1° | 109.5° |
| N1 | C7 | C6 | 120.1° | 120.0° |
| C7 | N1 | H6 | 120.0° | 120.0° |
| C7 | N1 | H7 | 120.0° | 120.0° |
| C7 | C6 | C8 | 121.0° | 120.1° |
| C7 | C6 | C5 | 120.6° | 120.1° |
| N7 | C32 | C31 | 110.8° | 109.5° |
| N7 | C32 | C39 | 107.3° | 109.5° |
| C32 | N7 | H17 | 106.4° | 120.0° |
| N7 | C32 | H41 | 109.8° | 109.5° |
| C6 | C8 | C9 | 120.7° | 119.9° |
| C8 | C6 | C5 | 118.4° | 119.7° |
| C6 | C8 | H18 | 119.7° | 120.1° |
| C8 | C9 | C3 | 121.1° | 120.1° |
| C9 | C8 | H18 | 119.7° | 120.1° |
| C8 | C9 | H20 | 119.5° | 120.0° |
| C6 | C5 | C4 | 120.6° | 119.8° |
| C6 | C5 | H14 | 119.7° | 120.0° |
| C9 | C3 | C4 | 118.3° | 120.2° |
| C9 | C3 | C2 | 120.2° | 119.8° |
| C3 | C9 | H20 | 119.5° | 119.9° |
| C31 | C32 | C39 | 111.3° | 109.5° |
| C32 | C31 | C28 | 114.8° | 109.1° |
| C32 | C31 | H39 | 108.1° | 109.5° |
| C32 | C31 | H40 | 108.1° | 109.7° |
| C31 | C32 | H41 | 108.8° | 109.4° |
| C32 | C39 | O5 | 121.4° | 120.7° |
| C32 | C39 | N9 | 115.8° | 118.6° |
| C39 | C32 | H41 | 108.9° | 109.5° |
| C5 | C4 | C3 | 121.0° | 120.2° |
| C5 | C4 | H12 | 119.5° | 119.9° |
| C4 | C5 | H14 | 119.7° | 120.1° |
| C31 | C28 | C27 | 121.0° | 119.9° |
| C31 | C28 | C29 | 120.9° | 119.9° |
| C28 | C31 | H39 | 108.1° | 109.5° |
| C28 | C31 | H40 | 108.1° | 109.6° |
| O5 | C39 | N9 | 122.8° | 120.7° |
| C39 | N9 | C | 119.1° | 115.6° |
| C39 | N9 | H21 | 120.4° | 122.2° |
| C4 | C3 | C2 | 121.4° | 119.9° |
| C3 | C4 | H12 | 119.5° | 119.9° |
| C3 | C2 | N | 110.9° | 109.5° |
| C3 | C2 | H8 | 109.1° | 109.5° |
| C3 | C2 | H9 | 109.1° | 109.5° |
| C28 | C27 | C26 | 121.2° | 120.0° |
| C27 | C28 | C29 | 118.1° | 120.1° |
| C28 | C27 | H36 | 119.4° | 120.0° |
| C27 | C26 | C25 | 120.1° | 119.7° |
| C27 | C26 | H35 | 119.9° | 120.1° |
| C26 | C27 | H36 | 119.4° | 120.0° |
| C28 | C29 | C30 | 121.2° | 120.1° |
| C28 | C29 | H37 | 119.4° | 119.9° |
| O | C1 | N | 123.9° | 120.0° |
| O | C1 | C | 120.8° | 120.0° |
| C2 | N | C1 | 122.9° | 120.0° |
| N | C2 | H8 | 109.1° | 109.5° |
| N | C2 | H9 | 109.1° | 109.5° |
| C2 | N | H58 | 118.5° | 120.0° |
| N9 | C | C1 | 109.8° | 109.5° |
| N9 | C | C10 | 111.8° | 108.7° |
| C | N9 | H21 | 120.4° | 122.2° |
| N9 | C | H57 | 108.2° | 109.8° |
| N | C1 | C | 115.2° | 120.0° |
| C1 | N | H58 | 118.6° | 120.0° |
| C1 | C | C10 | 112.5° | 109.6° |
| C1 | C | H57 | 107.3° | 109.5° |
| C26 | C25 | C30 | 119.1° | 120.2° |
| C26 | C25 | N6 | 123.6° | 119.7° |
| C25 | C26 | H35 | 120.0° | 120.1° |
| C29 | C30 | C25 | 120.3° | 119.7° |
| C30 | C29 | H37 | 119.4° | 119.9° |
| C29 | C30 | H38 | 119.9° | 120.1° |
| C | C10 | C11 | 113.7° | 109.6° |
| C | C10 | H1 | 108.4° | 109.5° |
| C | C10 | H2 | 108.4° | 109.4° |
| C10 | C | H57 | 107.2° | 109.6° |
| C30 | C25 | N6 | 117.0° | 120.1° |
| C25 | C30 | H38 | 119.8° | 120.1° |
| C25 | N6 | C24 | 128.2° | 113.0° |
| C25 | N6 | H16 | 115.9° | 123.4° |
| O2 | C24 | N6 | 123.8° | 120.7° |
| O2 | C24 | C23 | 121.7° | 120.7° |
| C10 | C11 | C12 | 121.0° | 119.7° |
| C10 | C11 | C16 | 120.6° | 120.2° |
| C11 | C10 | H1 | 108.4° | 109.5° |
| C11 | C10 | H2 | 108.4° | 109.4° |
| C12 | C11 | C16 | 118.3° | 120.1° |
| C11 | C12 | C13 | 121.0° | 120.2° |
| C11 | C12 | H3 | 119.5° | 119.9° |
| C11 | C16 | C15 | 121.1° | 120.0° |
| C11 | C16 | H22 | 119.5° | 120.0° |
| C12 | C13 | C14 | 120.1° | 119.8° |
| C13 | C12 | H3 | 119.5° | 119.9° |
| C12 | C13 | H4 | 119.9° | 120.1° |
| C16 | C15 | C14 | 120.1° | 120.0° |
| C16 | C15 | H5 | 119.9° | 120.0° |
| C15 | C16 | H22 | 119.4° | 120.1° |
| C15 | C14 | C13 | 119.3° | 119.9° |
| C15 | C14 | N3 | 119.1° | 120.1° |
| C14 | C15 | H5 | 119.9° | 120.0° |
| C13 | C14 | N3 | 121.4° | 120.0° |
| C14 | C13 | H4 | 119.9° | 120.1° |
| C14 | N3 | C17 | 125.9° | 119.7° |
| C14 | N3 | H11 | 117.0° | 120.1° |
| N3 | C17 | C18 | 114.6° | 120.1° |
| N3 | C17 | O1 | 123.7° | 119.9° |
| C17 | N3 | H11 | 117.1° | 120.2° |
| N6 | C24 | C23 | 114.4° | 118.5° |
| C24 | N6 | H16 | 115.9° | 123.5° |
| C24 | C23 | C22 | 112.7° | 110.2° |
| C24 | C23 | H33 | 108.7° | 109.3° |
| C24 | C23 | H34 | 108.7° | 109.2° |
| C18 | C17 | O1 | 121.7° | 120.0° |
| C17 | C18 | C19 | 109.6° | 109.9° |
| C17 | C18 | H23 | 109.4° | 109.4° |
| C17 | C18 | H24 | 109.5° | 109.4° |
| C18 | C19 | N4 | 113.6° | 111.5° |
| C19 | C18 | H23 | 109.4° | 109.4° |
| C19 | C18 | H24 | 109.4° | 109.3° |
| C18 | C19 | H25 | 108.5° | 109.1° |
| C18 | C19 | H26 | 108.4° | 109.1° |
| C40 | C41 | N4 | 107.9° | 110.8° |
| C41 | C40 | N5 | 111.5° | 110.9° |
| C41 | C40 | H53 | 109.0° | 109.2° |
| C41 | C40 | H54 | 109.0° | 109.1° |
| C40 | C41 | H55 | 109.9° | 109.2° |
| C40 | C41 | H56 | 109.9° | 109.2° |
| C41 | N4 | C19 | 112.0° | 116.1° |
| C41 | N4 | C20 | 109.1° | 113.8° |
| N4 | C41 | H55 | 109.9° | 109.2° |
| N4 | C41 | H56 | 109.9° | 109.2° |
| C23 | C22 | N5 | 116.3° | 112.4° |
| C23 | C22 | H31 | 107.7° | 108.8° |
| C23 | C22 | H32 | 107.7° | 108.8° |
| C22 | C23 | H33 | 108.7° | 109.3° |
| C22 | C23 | H34 | 108.7° | 109.4° |
| C40 | N5 | C22 | 109.7° | 117.2° |
| C40 | N5 | C21 | 109.8° | 114.5° |
| N5 | C40 | H53 | 109.0° | 109.2° |
| N5 | C40 | H54 | 109.0° | 109.2° |
| C22 | N5 | C21 | 113.0° | 118.2° |
| N5 | C22 | H31 | 107.7° | 108.9° |
| N5 | C22 | H32 | 107.8° | 108.9° |
| N5 | C21 | C20 | 112.2° | 111.5° |
| N5 | C21 | H29 | 108.8° | 109.1° |
| N5 | C21 | H30 | 108.8° | 109.1° |
| C21 | C20 | N4 | 108.6° | 111.2° |
| C21 | C20 | H27 | 109.7° | 109.1° |
| C21 | C20 | H28 | 109.7° | 109.1° |
| C20 | C21 | H29 | 108.8° | 109.1° |
| C20 | C21 | H30 | 108.8° | 109.1° |
| C19 | N4 | C20 | 115.6° | 115.9° |
| N4 | C19 | H25 | 108.4° | 109.1° |
| N4 | C19 | H26 | 108.5° | 109.1° |
| N4 | C20 | H27 | 109.7° | 109.1° |
| N4 | C20 | H28 | 109.7° | 109.1° |
| H1 | C10 | H2 | 109.5° | 109.4° |
| H6 | N1 | H7 | 120.0° | 120.0° |
| H8 | C2 | H9 | 109.5° | 109.5° |
| H23 | C18 | H24 | 109.5° | 109.4° |
| H25 | C19 | H26 | 109.5° | 109.0° |
| H27 | C20 | H28 | 109.4° | 109.2° |
| H29 | C21 | H30 | 109.5° | 108.9° |
| H31 | C22 | H32 | 109.5° | 108.9° |
| H33 | C23 | H34 | 109.5° | 109.3° |
| H39 | C31 | H40 | 109.5° | 109.5° |
| H43 | C34 | H44 | 109.5° | 109.5° |
| H45 | C35 | H46 | 109.5° | 109.5° |
| H47 | C36 | H48 | 109.4° | 109.5° |
| H49 | C37 | H50 | 109.5° | 109.5° |
| H51 | C38 | H52 | 109.5° | 109.4° |
| H53 | C40 | H54 | 109.5° | 109.1° |
| H55 | C41 | H56 | 109.5° | 109.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C38 | C37 | C36 | H49 | 120.3° | 120.0° |
| C38 | C37 | C36 | H50 | 120.3° | 120.0° |
| C37 | C38 | C33 | H51 | 120.2° | 120.0° |
| C37 | C38 | C33 | H52 | 120.3° | 120.1° |
| C38 | C37 | C36 | C35 | 56.6° | 60.0° |
| C37 | C38 | C33 | N8 | 176.9° | 180.0° |
| C37 | C38 | C33 | C34 | 55.6° | 60.0° |
| C37 | C38 | C33 | H42 | 63.6° | 59.9° |
| C38 | C37 | C36 | H47 | 63.6° | 180.0° |
| C38 | C37 | C36 | H48 | 176.8° | 60.0° |
| C38 | C37 | H49 | H50 | 119.2° | 120.0° |
| C37 | C38 | H51 | H52 | 119.2° | 120.0° |
| C36 | C37 | C38 | C33 | 56.7° | 60.0° |
| C37 | C36 | C35 | H47 | 120.2° | 120.0° |
| C37 | C36 | C35 | H48 | 120.2° | 120.0° |
| C37 | C36 | C35 | C34 | 55.9° | 60.0° |
| C37 | C36 | C35 | H45 | 176.1° | 60.0° |
| C37 | C36 | C35 | H46 | 64.4° | 180.0° |
| C37 | C36 | H47 | H48 | 119.4° | 120.0° |
| C36 | C37 | H49 | H50 | 119.2° | 120.0° |
| C36 | C37 | C38 | H51 | 177.0° | 60.0° |
| C36 | C37 | C38 | H52 | 63.5° | 180.0° |
| C38 | C33 | N8 | C34 | 121.9° | 120.0° |
| C38 | C33 | N8 | H42 | 119.1° | 120.0° |
| C38 | C33 | C34 | H42 | 119.2° | 119.9° |
| C38 | C33 | N8 | S | 106.9° | 97.3° |
| C38 | C33 | C34 | C35 | 55.1° | 60.0° |
| C38 | C33 | N8 | H19 | 15.5° | 82.8° |
| C38 | C33 | C34 | H43 | 175.4° | 180.0° |
| C38 | C33 | C34 | H44 | 65.2° | 60.0° |
| C33 | C38 | C37 | H49 | 177.0° | 60.0° |
| C33 | C38 | C37 | H50 | 63.5° | 180.0° |
| C33 | C38 | H51 | H52 | 119.2° | 120.0° |
| O3 | S | N8 | C33 | 46.3° | 47.6° |
| O3 | S | N8 | O4 | 130.1° | 132.9° |
| O3 | S | N8 | N7 | 114.8° | 113.5° |
| O3 | S | O4 | N7 | 122.4° | 122.9° |
| O3 | S | N7 | C32 | 171.5° | 178.7° |
| O3 | S | N7 | H17 | 66.9° | 1.3° |
| O3 | S | N8 | H19 | 76.0° | 132.3° |
| C36 | C35 | C34 | C33 | 55.5° | 60.0° |
| C36 | C35 | C34 | H45 | 120.2° | 119.9° |
| C36 | C35 | C34 | H46 | 120.2° | 120.0° |
| C36 | C35 | C34 | H43 | 175.8° | 180.0° |
| C36 | C35 | C34 | H44 | 64.8° | 60.0° |
| C36 | C35 | H45 | H46 | 119.2° | 120.0° |
| C35 | C36 | H47 | H48 | 119.5° | 120.0° |
| C35 | C36 | C37 | H49 | 176.8° | 60.0° |
| C35 | C36 | C37 | H50 | 63.7° | 180.0° |
| N8 | C33 | C34 | H42 | 119.5° | 120.1° |
| C33 | N8 | S | H19 | 122.3° | 179.9° |
| C33 | N8 | S | O4 | 176.4° | 179.5° |
| C33 | N8 | S | N7 | 68.5° | 66.0° |
| N8 | C33 | C34 | C35 | 176.4° | 180.0° |
| N8 | C33 | C34 | H43 | 63.3° | 60.1° |
| N8 | C33 | C34 | H44 | 56.1° | 60.0° |
| N8 | C33 | C38 | H51 | 62.8° | 60.0° |
| N8 | C33 | C38 | H52 | 56.7° | 60.0° |
| C34 | C33 | N8 | S | 131.3° | 142.8° |
| C33 | C34 | C35 | H43 | 120.3° | 120.0° |
| C33 | C34 | C35 | H44 | 120.3° | 120.0° |
| C34 | C33 | N8 | H19 | 106.4° | 37.1° |
| C33 | C34 | H43 | H44 | 119.1° | 120.0° |
| C33 | C34 | C35 | H45 | 175.7° | 59.9° |
| C33 | C34 | C35 | H46 | 64.8° | 180.0° |
| C34 | C33 | C38 | H51 | 175.8° | 60.0° |
| C34 | C33 | C38 | H52 | 64.7° | 180.0° |
| N2 | C7 | N1 | C6 | 179.9° | 179.9° |
| N2 | C7 | C6 | C8 | 23.3° | 180.0° |
| N2 | C7 | C6 | C5 | 157.4° | 0.0° |
| N2 | C7 | N1 | H6 | 179.9° | 0.1° |
| N2 | C7 | N1 | H7 | 0.1° | 180.0° |
| N8 | S | O4 | N7 | 114.6° | 114.1° |
| N8 | S | N7 | C32 | 73.0° | 67.7° |
| N8 | S | N7 | H17 | 48.6° | 112.3° |
| S | N8 | C33 | H42 | 12.2° | 22.8° |
| O4 | S | N7 | C32 | 41.4° | 45.8° |
| O4 | S | N7 | H17 | 163.1° | 134.2° |
| O4 | S | N8 | H19 | 54.0° | 0.6° |
| S | N7 | C32 | H17 | 121.7° | 179.9° |
| S | N7 | C32 | C31 | 101.6° | 19.6° |
| S | N7 | C32 | C39 | 136.7° | 139.7° |
| N7 | S | N8 | H19 | 169.1° | 114.1° |
| S | N7 | C32 | H41 | 18.5° | 100.3° |
| C35 | C34 | C33 | H42 | 64.1° | 59.9° |
| C35 | C34 | H43 | H44 | 119.0° | 120.0° |
| C34 | C35 | H45 | H46 | 119.2° | 120.0° |
| C34 | C35 | C36 | H47 | 64.3° | 180.0° |
| C34 | C35 | C36 | H48 | 176.1° | 60.0° |
| N1 | C7 | C6 | C8 | 156.9° | 0.1° |
| N1 | C7 | C6 | C5 | 22.5° | 179.9° |
| C7 | N1 | H6 | H7 | 180.0° | 179.9° |
| N1 | C7 | N2 | H10 | 179.9° | 179.9° |
| C7 | C6 | C8 | C5 | 179.4° | 180.0° |
| C7 | C6 | C8 | C9 | 179.3° | 179.7° |
| C7 | C6 | C5 | C4 | 179.5° | 179.9° |
| C6 | C7 | N1 | H6 | 0.0° | 180.0° |
| C6 | C7 | N1 | H7 | 180.0° | 0.1° |
| C6 | C7 | N2 | H10 | 0.0° | 0.0° |
| C7 | C6 | C5 | H14 | 0.5° | 0.0° |
| C7 | C6 | C8 | H18 | 0.7° | 0.1° |
| N7 | C32 | C31 | C39 | 119.3° | 120.1° |
| N7 | C32 | C31 | H41 | 120.7° | 119.9° |
| N7 | C32 | C39 | H41 | 118.7° | 120.0° |
| N7 | C32 | C31 | C28 | 164.4° | 127.1° |
| N7 | C32 | C39 | O5 | 14.7° | 132.3° |
| N7 | C32 | C39 | N9 | 165.4° | 47.7° |
| N7 | C32 | C31 | H39 | 74.8° | 7.3° |
| N7 | C32 | C31 | H40 | 43.6° | 112.9° |
| C6 | C8 | C9 | H18 | 180.0° | 179.9° |
| C6 | C8 | C9 | C3 | 0.2° | 0.5° |
| C8 | C6 | C5 | C4 | 0.1° | 0.1° |
| C8 | C6 | C5 | H14 | 179.9° | 180.0° |
| C6 | C8 | C9 | H20 | 179.8° | 180.0° |
| C9 | C8 | C6 | C5 | 0.1° | 0.2° |
| C8 | C9 | C3 | H20 | 180.0° | 179.5° |
| C8 | C9 | C3 | C4 | 0.5° | 0.6° |
| C8 | C9 | C3 | C2 | 177.8° | 179.8° |
| C6 | C5 | C4 | H14 | 180.0° | 179.9° |
| C6 | C5 | C4 | C3 | 0.4° | 0.1° |
| C6 | C5 | C4 | H12 | 179.5° | 180.0° |
| C5 | C6 | C8 | H18 | 179.9° | 179.9° |
| C9 | C3 | C4 | C5 | 0.6° | 0.4° |
| C9 | C3 | C4 | C2 | 178.4° | 179.7° |
| C9 | C3 | C2 | N | 63.0° | 90.3° |
| C9 | C3 | C2 | H8 | 57.2° | 29.7° |
| C9 | C3 | C2 | H9 | 176.8° | 149.7° |
| C9 | C3 | C4 | H12 | 179.3° | 179.8° |
| C3 | C9 | C8 | H18 | 179.8° | 179.7° |
| C31 | C32 | C39 | H41 | 119.9° | 120.0° |
| C32 | C31 | C28 | H39 | 120.8° | 119.8° |
| C32 | C31 | C28 | H40 | 120.8° | 120.1° |
| C31 | C32 | C39 | O5 | 106.7° | 12.2° |
| C31 | C32 | C39 | N9 | 73.3° | 167.8° |
| C32 | C31 | C28 | C27 | 57.4° | 102.2° |
| C32 | C31 | C28 | C29 | 124.1° | 76.0° |
| C31 | C32 | N7 | H17 | 136.7° | 160.3° |
| C32 | C31 | H39 | H40 | 117.5° | 120.3° |
| C39 | C32 | C31 | C28 | 76.3° | 112.8° |
| C32 | C39 | O5 | N9 | 179.9° | 180.0° |
| C32 | C39 | N9 | C | 171.8° | 179.4° |
| C39 | C32 | N7 | H17 | 15.0° | 40.2° |
| C32 | C39 | N9 | H21 | 8.2° | 0.8° |
| C39 | C32 | C31 | H39 | 44.5° | 127.3° |
| C39 | C32 | C31 | H40 | 162.9° | 7.2° |
| C5 | C4 | C3 | H12 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 177.7° | 180.0° |
| C31 | C28 | C27 | C29 | 178.5° | 178.2° |
| C31 | C28 | C27 | C26 | 177.4° | 175.8° |
| C31 | C28 | C29 | C30 | 178.2° | 176.0° |
| C31 | C28 | C27 | H36 | 2.6° | 4.3° |
| C31 | C28 | C29 | H37 | 1.9° | 3.9° |
| C28 | C31 | H39 | H40 | 117.6° | 120.2° |
| C28 | C31 | C32 | H41 | 43.7° | 7.2° |
| O5 | C39 | N9 | C | 8.3° | 0.6° |
| O5 | C39 | N9 | H21 | 171.7° | 179.3° |
| O5 | C39 | C32 | H41 | 133.4° | 107.8° |
| C39 | N9 | C | H21 | 180.0° | 179.9° |
| C39 | N9 | C | C1 | 65.6° | 96.3° |
| C39 | N9 | C | C10 | 168.9° | 144.0° |
| N9 | C39 | C32 | H41 | 46.7° | 72.3° |
| C39 | N9 | C | H57 | 51.1° | 24.1° |
| C4 | C3 | C2 | N | 115.3° | 90.0° |
| C4 | C3 | C2 | H8 | 124.5° | 149.9° |
| C4 | C3 | C2 | H9 | 4.8° | 29.9° |
| C3 | C4 | C5 | H14 | 179.6° | 179.9° |
| C4 | C3 | C9 | H20 | 179.5° | 179.9° |
| C3 | C2 | N | H8 | 120.2° | 120.0° |
| C3 | C2 | N | H9 | 120.2° | 120.0° |
| C3 | C2 | N | C1 | 108.1° | 180.0° |
| C3 | C2 | H8 | H9 | 119.4° | 120.0° |
| C2 | C3 | C4 | H12 | 2.3° | 0.1° |
| C2 | C3 | C9 | H20 | 2.1° | 0.3° |
| C3 | C2 | N | H58 | 71.9° | 0.0° |
| C28 | C27 | C26 | H36 | 180.0° | 179.9° |
| C28 | C27 | C26 | C25 | 1.1° | 0.4° |
| C27 | C28 | C29 | C30 | 0.4° | 2.1° |
| C28 | C27 | C26 | H35 | 178.9° | 179.6° |
| C27 | C28 | C29 | H37 | 179.6° | 177.9° |
| C27 | C28 | C31 | H39 | 178.2° | 138.0° |
| C27 | C28 | C31 | H40 | 63.4° | 17.9° |
| C26 | C27 | C28 | C29 | 1.1° | 2.3° |
| C27 | C26 | C25 | H35 | 180.0° | 180.0° |
| C27 | C26 | C25 | C30 | 0.3° | 1.8° |
| C27 | C26 | C25 | N6 | 173.7° | 177.9° |
| C28 | C29 | C30 | H37 | 180.0° | 180.0° |
| C28 | C29 | C30 | C25 | 0.4° | 0.0° |
| C29 | C28 | C27 | H36 | 178.9° | 177.6° |
| C28 | C29 | C30 | H38 | 179.5° | 179.9° |
| C29 | C28 | C31 | H39 | 3.3° | 43.9° |
| C29 | C28 | C31 | H40 | 115.1° | 164.0° |
| O | C1 | N | C2 | 9.1° | 0.1° |
| O | C1 | C | N9 | 31.7° | 20.1° |
| O | C1 | N | C | 176.5° | 179.9° |
| O | C1 | C | C10 | 93.4° | 99.1° |
| O | C1 | C | H57 | 149.0° | 140.5° |
| O | C1 | N | H58 | 170.9° | 179.9° |
| C2 | N | C1 | H58 | 180.0° | 180.0° |
| C2 | N | C1 | C | 167.4° | 180.0° |
| N | C2 | H8 | H9 | 119.3° | 120.0° |
| N9 | C | C1 | N | 144.9° | 160.0° |
| N9 | C | C1 | C10 | 125.1° | 119.2° |
| N9 | C | C1 | H57 | 117.3° | 120.4° |
| N9 | C | C10 | H57 | 118.3° | 120.0° |
| N9 | C | C10 | C11 | 56.2° | 94.7° |
| N9 | C | C10 | H1 | 176.9° | 145.2° |
| N9 | C | C10 | H2 | 64.4° | 25.3° |
| N | C1 | C | C10 | 90.0° | 80.8° |
| C1 | N | C2 | H8 | 12.1° | 60.0° |
| C1 | N | C2 | H9 | 131.7° | 60.0° |
| N | C1 | C | H57 | 27.5° | 39.6° |
| C1 | C | C10 | H57 | 117.6° | 120.3° |
| C1 | C | C10 | C11 | 67.8° | 145.5° |
| C1 | C | C10 | H1 | 52.8° | 25.5° |
| C1 | C | C10 | H2 | 171.6° | 94.4° |
| C1 | C | N9 | H21 | 114.4° | 83.9° |
| C | C1 | N | H58 | 12.7° | 0.1° |
| C26 | C25 | C30 | C29 | 0.5° | 2.0° |
| C26 | C25 | C30 | N6 | 173.9° | 179.7° |
| C26 | C25 | N6 | C24 | 12.1° | 31.0° |
| C26 | C25 | N6 | H16 | 167.9° | 149.0° |
| C25 | C26 | C27 | H36 | 178.9° | 179.5° |
| C26 | C25 | C30 | H38 | 179.5° | 178.1° |
| C29 | C30 | C25 | H38 | 180.0° | 179.9° |
| C29 | C30 | C25 | N6 | 173.4° | 177.7° |
| C | C10 | C11 | H1 | 120.6° | 120.1° |
| C | C10 | C11 | H2 | 120.6° | 120.0° |
| C | C10 | C11 | C12 | 85.8° | 102.3° |
| C | C10 | C11 | C16 | 95.9° | 77.6° |
| C | C10 | H1 | H2 | 118.1° | 119.9° |
| C10 | C | N9 | H21 | 11.1° | 35.9° |
| C30 | C25 | N6 | C24 | 161.5° | 148.7° |
| C30 | C25 | N6 | H16 | 18.5° | 31.3° |
| C30 | C25 | C26 | H35 | 179.7° | 178.3° |
| C25 | C30 | C29 | H37 | 179.6° | 180.0° |
| C25 | N6 | C24 | O2 | 12.4° | 32.5° |
| C25 | N6 | C24 | H16 | 180.0° | 180.0° |
| C25 | N6 | C24 | C23 | 170.9° | 147.5° |
| N6 | C25 | C26 | H35 | 6.3° | 2.0° |
| N6 | C25 | C30 | H38 | 6.6° | 2.2° |
| O2 | C24 | N6 | C23 | 176.6° | 180.0° |
| O2 | C24 | C23 | C22 | 29.4° | 3.6° |
| O2 | C24 | N6 | H16 | 167.5° | 147.5° |
| O2 | C24 | C23 | H33 | 149.8° | 116.5° |
| O2 | C24 | C23 | H34 | 91.1° | 123.9° |
| C10 | C11 | C12 | C16 | 178.3° | 179.9° |
| C10 | C11 | C12 | C13 | 177.2° | 179.1° |
| C10 | C11 | C16 | C15 | 177.4° | 179.4° |
| C11 | C10 | H1 | H2 | 118.1° | 119.9° |
| C10 | C11 | C12 | H3 | 2.8° | 0.9° |
| C10 | C11 | C16 | H22 | 2.6° | 0.5° |
| C11 | C10 | C | H57 | 174.6° | 25.2° |
| C11 | C12 | C13 | H3 | 180.0° | 180.0° |
| C12 | C11 | C16 | C15 | 1.0° | 0.5° |
| C11 | C12 | C13 | C14 | 0.1° | 0.3° |
| C12 | C11 | C10 | H1 | 34.8° | 137.6° |
| C12 | C11 | C10 | H2 | 153.6° | 17.7° |
| C11 | C12 | C13 | H4 | 179.9° | 179.7° |
| C12 | C11 | C16 | H22 | 179.1° | 179.6° |
| C16 | C11 | C12 | C13 | 1.1° | 0.9° |
| C11 | C16 | C15 | H22 | 180.0° | 179.9° |
| C11 | C16 | C15 | C14 | 0.4° | 0.4° |
| C16 | C11 | C10 | H1 | 143.5° | 42.5° |
| C16 | C11 | C10 | H2 | 24.7° | 162.4° |
| C16 | C11 | C12 | H3 | 178.9° | 179.2° |
| C11 | C16 | C15 | H5 | 179.5° | 179.5° |
| C12 | C13 | C14 | C15 | 1.5° | 0.6° |
| C12 | C13 | C14 | H4 | 180.0° | 180.0° |
| C12 | C13 | C14 | N3 | 173.6° | 177.8° |
| C16 | C15 | C14 | H5 | 180.0° | 179.9° |
| C16 | C15 | C14 | C13 | 1.7° | 1.0° |
| C16 | C15 | C14 | N3 | 173.5° | 177.5° |
| C15 | C14 | C13 | N3 | 175.1° | 178.5° |
| C15 | C14 | N3 | C17 | 118.3° | 170.3° |
| C15 | C14 | C13 | H4 | 178.5° | 179.4° |
| C15 | C14 | N3 | H11 | 61.7° | 9.8° |
| C14 | C15 | C16 | H22 | 179.5° | 179.5° |
| C13 | C14 | N3 | C17 | 56.8° | 8.2° |
| C14 | C13 | C12 | H3 | 179.9° | 179.8° |
| C13 | C14 | C15 | H5 | 178.3° | 178.9° |
| C13 | C14 | N3 | H11 | 123.2° | 171.8° |
| C14 | N3 | C17 | H11 | 180.0° | 180.0° |
| C14 | N3 | C17 | C18 | 166.9° | 174.9° |
| C14 | N3 | C17 | O1 | 11.3° | 5.1° |
| N3 | C14 | C13 | H4 | 6.5° | 2.1° |
| N3 | C14 | C15 | H5 | 6.5° | 2.6° |
| N3 | C17 | C18 | O1 | 178.2° | 179.9° |
| N3 | C17 | C18 | C19 | 119.7° | 166.9° |
| N3 | C17 | C18 | H23 | 0.3° | 73.0° |
| N3 | C17 | C18 | H24 | 120.3° | 46.8° |
| N6 | C24 | C23 | C22 | 154.0° | 176.3° |
| N6 | C24 | C23 | H33 | 33.5° | 63.5° |
| N6 | C24 | C23 | H34 | 85.6° | 56.1° |
| C24 | C23 | C22 | H33 | 120.5° | 120.2° |
| C24 | C23 | C22 | H34 | 120.5° | 120.1° |
| C24 | C23 | C22 | N5 | 95.4° | 79.1° |
| C23 | C24 | N6 | H16 | 9.1° | 32.5° |
| C24 | C23 | C22 | H31 | 143.6° | 160.2° |
| C24 | C23 | C22 | H32 | 25.6° | 41.7° |
| C24 | C23 | H33 | H34 | 118.5° | 119.5° |
| C17 | C18 | C19 | H23 | 120.0° | 120.2° |
| C17 | C18 | C19 | H24 | 120.0° | 120.1° |
| C17 | C18 | C19 | N4 | 82.1° | 66.3° |
| C18 | C17 | N3 | H11 | 13.1° | 5.1° |
| C17 | C18 | H23 | H24 | 120.0° | 119.8° |
| C17 | C18 | C19 | H25 | 157.3° | 173.2° |
| C17 | C18 | C19 | H26 | 38.5° | 54.2° |
| O1 | C17 | C18 | C19 | 58.5° | 13.2° |
| O1 | C17 | N3 | H11 | 168.7° | 174.8° |
| O1 | C17 | C18 | H23 | 178.5° | 106.9° |
| O1 | C17 | C18 | H24 | 61.5° | 133.2° |
| C18 | C19 | N4 | C41 | 40.7° | 86.6° |
| C18 | C19 | N4 | H25 | 120.6° | 120.6° |
| C18 | C19 | N4 | H26 | 120.6° | 120.5° |
| C18 | C19 | N4 | C20 | 85.1° | 135.7° |
| C19 | C18 | H23 | H24 | 119.9° | 119.7° |
| C18 | C19 | H25 | H26 | 118.1° | 119.0° |
| C40 | C41 | N4 | H55 | 119.8° | 120.3° |
| C40 | C41 | N4 | H56 | 119.8° | 120.4° |
| C41 | C40 | N5 | H53 | 120.3° | 120.4° |
| C41 | C40 | N5 | H54 | 120.3° | 120.3° |
| C41 | C40 | N5 | C22 | 138.2° | 141.5° |
| C41 | C40 | N5 | C21 | 13.6° | 3.4° |
| C40 | C41 | N4 | C19 | 160.4° | 170.0° |
| C40 | C41 | N4 | C20 | 70.3° | 51.4° |
| C41 | C40 | H53 | H54 | 119.1° | 119.2° |
| C40 | C41 | H55 | H56 | 120.7° | 119.3° |
| N4 | C41 | C40 | N5 | 50.8° | 55.3° |
| C41 | N4 | C20 | C21 | 22.0° | 1.5° |
| C41 | N4 | C19 | C20 | 125.8° | 137.7° |
| C41 | N4 | C19 | H25 | 79.9° | 34.0° |
| C41 | N4 | C19 | H26 | 161.3° | 152.9° |
| C41 | N4 | C20 | H27 | 97.8° | 118.9° |
| C41 | N4 | C20 | H28 | 141.9° | 121.9° |
| N4 | C41 | C40 | H53 | 171.1° | 65.2° |
| N4 | C41 | C40 | H54 | 69.5° | 175.6° |
| N4 | C41 | H55 | H56 | 120.7° | 119.4° |
| C23 | C22 | N5 | C40 | 146.6° | 140.2° |
| C23 | C22 | N5 | H31 | 121.0° | 120.7° |
| C23 | C22 | N5 | H32 | 121.0° | 120.7° |
| C23 | C22 | N5 | C21 | 23.7° | 76.3° |
| C23 | C22 | H31 | H32 | 116.8° | 118.5° |
| C22 | C23 | H33 | H34 | 118.5° | 119.8° |
| C40 | N5 | C22 | C21 | 122.8° | 143.5° |
| C40 | N5 | C21 | C20 | 62.7° | 49.7° |
| C40 | N5 | C21 | H29 | 57.7° | 70.8° |
| C40 | N5 | C21 | H30 | 176.9° | 170.3° |
| C40 | N5 | C22 | H31 | 92.4° | 99.1° |
| C40 | N5 | C22 | H32 | 25.6° | 19.5° |
| N5 | C40 | H53 | H54 | 119.1° | 119.3° |
| N5 | C40 | C41 | H55 | 170.6° | 65.1° |
| N5 | C40 | C41 | H56 | 69.0° | 175.6° |
| C22 | N5 | C21 | C20 | 174.5° | 165.8° |
| C22 | N5 | C21 | H29 | 65.1° | 73.7° |
| C22 | N5 | C21 | H30 | 54.1° | 45.2° |
| N5 | C22 | H31 | H32 | 116.9° | 118.7° |
| N5 | C22 | C23 | H33 | 25.1° | 41.1° |
| N5 | C22 | C23 | H34 | 144.1° | 160.8° |
| C22 | N5 | C40 | H53 | 17.9° | 98.1° |
| C22 | N5 | C40 | H54 | 101.5° | 21.2° |
| N5 | C21 | C20 | H29 | 120.4° | 120.6° |
| N5 | C21 | C20 | H30 | 120.4° | 120.6° |
| N5 | C21 | C20 | N4 | 42.9° | 53.5° |
| N5 | C21 | C20 | H27 | 162.7° | 66.9° |
| N5 | C21 | C20 | H28 | 77.0° | 173.9° |
| N5 | C21 | H29 | H30 | 118.7° | 119.0° |
| C21 | N5 | C22 | H31 | 144.7° | 44.4° |
| C21 | N5 | C22 | H32 | 97.2° | 163.0° |
| C21 | N5 | C40 | H53 | 106.7° | 117.0° |
| C21 | N5 | C40 | H54 | 133.8° | 123.7° |
| C21 | C20 | N4 | C19 | 149.3° | 137.1° |
| C21 | C20 | N4 | H27 | 119.9° | 120.4° |
| C21 | C20 | N4 | H28 | 119.9° | 120.4° |
| C21 | C20 | H27 | H28 | 120.4° | 119.2° |
| C20 | C21 | H29 | H30 | 118.8° | 119.0° |
| N4 | C19 | C18 | H23 | 37.9° | 173.6° |
| N4 | C19 | C18 | H24 | 157.9° | 53.8° |
| N4 | C19 | H25 | H26 | 118.1° | 119.0° |
| C19 | N4 | C20 | H27 | 29.4° | 102.5° |
| C19 | N4 | C20 | H28 | 90.8° | 16.7° |
| C19 | N4 | C41 | H55 | 40.6° | 69.6° |
| C19 | N4 | C41 | H56 | 79.8° | 49.7° |
| C20 | N4 | C19 | H25 | 154.3° | 103.7° |
| C20 | N4 | C19 | H26 | 35.5° | 15.2° |
| N4 | C20 | H27 | H28 | 120.4° | 119.1° |
| N4 | C20 | C21 | H29 | 77.6° | 67.1° |
| N4 | C20 | C21 | H30 | 163.3° | 174.0° |
| C20 | N4 | C41 | H55 | 169.9° | 68.9° |
| C20 | N4 | C41 | H56 | 49.5° | 171.8° |
| H1 | C10 | C | H57 | 64.8° | 94.8° |
| H2 | C10 | C | H57 | 53.9° | 145.3° |
| H3 | C12 | C13 | H4 | 0.1° | 0.3° |
| H5 | C15 | C16 | H22 | 0.5° | 0.6° |
| H8 | C2 | N | H58 | 167.9° | 120.0° |
| H9 | C2 | N | H58 | 48.3° | 120.0° |
| H12 | C4 | C5 | H14 | 0.4° | 0.1° |
| H17 | N7 | C32 | H41 | 103.2° | 79.8° |
| H18 | C8 | C9 | H20 | 0.1° | 0.2° |
| H19 | N8 | C33 | H42 | 134.5° | 157.1° |
| H21 | N9 | C | H57 | 128.8° | 155.8° |
| H23 | C18 | C19 | H25 | 82.7° | 53.0° |
| H23 | C18 | C19 | H26 | 158.6° | 66.0° |
| H24 | C18 | C19 | H25 | 37.3° | 66.7° |
| H24 | C18 | C19 | H26 | 81.5° | 174.3° |
| H27 | C20 | C21 | H29 | 42.3° | 172.5° |
| H27 | C20 | C21 | H30 | 76.8° | 53.6° |
| H28 | C20 | C21 | H29 | 162.6° | 53.3° |
| H28 | C20 | C21 | H30 | 43.4° | 65.6° |
| H31 | C22 | C23 | H33 | 95.9° | 79.7° |
| H31 | C22 | C23 | H34 | 23.1° | 40.1° |
| H32 | C22 | C23 | H33 | 146.1° | 161.8° |
| H32 | C22 | C23 | H34 | 94.9° | 78.5° |
| H35 | C26 | C27 | H36 | 1.1° | 0.5° |
| H37 | C29 | C30 | H38 | 0.4° | 0.0° |
| H39 | C31 | C32 | H41 | 164.5° | 112.7° |
| H40 | C31 | C32 | H41 | 77.1° | 127.2° |
| H42 | C33 | C34 | H43 | 56.2° | 60.0° |
| H42 | C33 | C34 | H44 | 175.6° | 180.0° |
| H42 | C33 | C38 | H51 | 56.6° | 179.9° |
| H42 | C33 | C38 | H52 | 176.1° | 60.1° |
| H43 | C34 | C35 | H45 | 64.0° | 60.0° |
| H43 | C34 | C35 | H46 | 55.6° | 60.0° |
| H44 | C34 | C35 | H45 | 55.4° | 179.9° |
| H44 | C34 | C35 | H46 | 175.0° | 60.0° |
| H45 | C35 | C36 | H47 | 55.9° | 60.0° |
| H45 | C35 | C36 | H48 | 63.7° | 180.0° |
| H46 | C35 | C36 | H47 | 175.4° | 60.0° |
| H46 | C35 | C36 | H48 | 55.8° | 60.0° |
| H47 | C36 | C37 | H49 | 56.6° | 60.0° |
| H47 | C36 | C37 | H50 | 176.1° | 60.1° |
| H48 | C36 | C37 | H49 | 63.0° | NaN° |
| H48 | C36 | C37 | H50 | 56.5° | 60.0° |
| H49 | C37 | C38 | H51 | 62.8° | 180.0° |
| H49 | C37 | C38 | H52 | 56.7° | 60.0° |
| H50 | C37 | C38 | H51 | 56.7° | 60.0° |
| H50 | C37 | C38 | H52 | 176.2° | 60.0° |
| H53 | C40 | C41 | H55 | 69.1° | 174.5° |
| H53 | C40 | C41 | H56 | 51.4° | 55.2° |
| H54 | C40 | C41 | H55 | 50.3° | 55.3° |
| H54 | C40 | C41 | H56 | 170.7° | 64.0° |
