H1V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | C34 | sing | 1.74Å | 1.79Å | |
| C34 | C33 | doub | 1.39Å | 1.39Å | Aromatic |
| C34 | C35 | sing | 1.38Å | 1.38Å | Aromatic |
| C33 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
| C35 | C36 | doub | 1.38Å | 1.38Å | Aromatic |
| C27 | C26 | sing | 1.51Å | 1.51Å | |
| C32 | C31 | doub | 1.39Å | 1.39Å | Aromatic |
| C36 | C31 | sing | 1.39Å | 1.39Å | Aromatic |
| C31 | C21 | sing | 1.48Å | 1.49Å | |
| C26 | C24 | doub | 1.32Å | 1.50Å | Aromatic |
| C26 | C22 | sing | 1.45Å | 1.51Å | Aromatic |
| C25 | C24 | sing | 1.51Å | 1.50Å | |
| C24 | S1 | sing | 1.75Å | 1.74Å | Aromatic |
| C21 | C22 | sing | 1.48Å | 1.49Å | |
| C21 | N5 | doub | 1.29Å | 1.26Å | |
| C22 | C23 | doub | 1.38Å | 1.49Å | Aromatic |
| N5 | C20 | sing | 1.47Å | 1.46Å | |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C17 | N4 | sing | 1.46Å | 1.45Å | |
| C | C1 | sing | 1.51Å | 1.51Å | |
| S1 | C23 | sing | 1.71Å | 1.73Å | Aromatic |
| O3 | C18 | doub | 1.21Å | 1.22Å | |
| C23 | N6 | sing | 1.40Å | 1.34Å | |
| C16 | O2 | sing | 1.43Å | 1.43Å | |
| S | C1 | sing | 1.75Å | 1.74Å | Aromatic |
| S | C5 | sing | 1.71Å | 1.73Å | Aromatic |
| C18 | N4 | sing | 1.35Å | 1.33Å | |
| C18 | C19 | sing | 1.51Å | 1.51Å | |
| C20 | C30 | sing | 1.51Å | 1.48Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C1 | C2 | doub | 1.32Å | 1.50Å | Aromatic |
| N6 | C30 | sing | 1.36Å | 1.33Å | Aromatic |
| N6 | C28 | sing | 1.35Å | 1.34Å | Aromatic |
| C30 | N8 | doub | 1.30Å | 1.35Å | Aromatic |
| O2 | C15 | sing | 1.43Å | 1.43Å | |
| C7 | C6 | sing | 1.51Å | 1.51Å | |
| C29 | C28 | sing | 1.51Å | 1.51Å | |
| C5 | N | sing | 1.40Å | 1.34Å | |
| C5 | C4 | doub | 1.38Å | 1.49Å | Aromatic |
| C28 | N7 | doub | 1.31Å | 1.35Å | Aromatic |
| C6 | N | sing | 1.36Å | 1.34Å | Aromatic |
| C6 | N1 | doub | 1.31Å | 1.35Å | Aromatic |
| N | C8 | sing | 1.36Å | 1.33Å | Aromatic |
| C2 | C4 | sing | 1.45Å | 1.51Å | Aromatic |
| C2 | C3 | sing | 1.51Å | 1.51Å | |
| N1 | N2 | sing | 1.29Å | 1.41Å | Aromatic |
| C8 | C9 | sing | 1.51Å | 1.48Å | |
| C8 | N2 | doub | 1.30Å | 1.35Å | Aromatic |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | N9 | sing | 1.46Å | 1.46Å | |
| N8 | N7 | sing | 1.29Å | 1.41Å | Aromatic |
| C10 | C11 | sing | 1.51Å | 1.51Å | |
| C4 | C37 | sing | 1.48Å | 1.49Å | |
| N3 | C11 | sing | 1.35Å | 1.33Å | |
| N3 | C12 | sing | 1.47Å | 1.45Å | |
| O1 | C14 | sing | 1.43Å | 1.43Å | |
| O1 | C13 | sing | 1.43Å | 1.43Å | |
| C11 | O | doub | 1.21Å | 1.22Å | |
| N9 | C37 | doub | 1.29Å | 1.26Å | |
| C37 | C38 | sing | 1.48Å | 1.50Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C38 | C43 | doub | 1.39Å | 1.39Å | Aromatic |
| C38 | C39 | sing | 1.40Å | 1.39Å | Aromatic |
| C43 | C42 | sing | 1.38Å | 1.39Å | Aromatic |
| C39 | C40 | doub | 1.38Å | 1.39Å | Aromatic |
| C42 | C41 | doub | 1.38Å | 1.39Å | Aromatic |
| C40 | C41 | sing | 1.38Å | 1.39Å | Aromatic |
| C41 | CL1 | sing | 1.74Å | 1.79Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| C29 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C3 | H30 | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H33 | sing | 1.08Å | 1.08Å | |
| C33 | H34 | sing | 1.08Å | 1.08Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C39 | H37 | sing | 1.08Å | 1.08Å | |
| C40 | H38 | sing | 1.08Å | 1.08Å | |
| C42 | H39 | sing | 1.08Å | 1.08Å | |
| C43 | H40 | sing | 1.08Å | 1.08Å | |
| C7 | H41 | sing | 1.09Å | 1.10Å | |
| C7 | H42 | sing | 1.09Å | 1.10Å | |
| C7 | H43 | sing | 1.09Å | 1.10Å | |
| C9 | H44 | sing | 1.09Å | 1.10Å | |
| N3 | H45 | sing | 0.97Å | 1.00Å | |
| N4 | H46 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | C34 | C33 | 121.1° | 119.8° |
| CL | C34 | C35 | 118.4° | 119.9° |
| C33 | C34 | C35 | 120.5° | 120.2° |
| C34 | C33 | C32 | 120.0° | 120.1° |
| C34 | C33 | H34 | 120.0° | 120.0° |
| C34 | C35 | C36 | 119.3° | 120.1° |
| C34 | C35 | H35 | 120.3° | 119.9° |
| C33 | C32 | C31 | 119.2° | 119.9° |
| C33 | C32 | H33 | 120.4° | 120.1° |
| C32 | C33 | H34 | 120.0° | 119.9° |
| C35 | C36 | C31 | 120.4° | 119.9° |
| C36 | C35 | H35 | 120.3° | 119.9° |
| C35 | C36 | H36 | 119.8° | 120.0° |
| C27 | C26 | C24 | 123.1° | 123.1° |
| C27 | C26 | C22 | 127.4° | 123.0° |
| C26 | C27 | H24 | 109.5° | 109.5° |
| C26 | C27 | H25 | 109.4° | 109.5° |
| C26 | C27 | H26 | 109.4° | 109.5° |
| C32 | C31 | C36 | 120.5° | 119.8° |
| C32 | C31 | C21 | 121.6° | 120.1° |
| C31 | C32 | H33 | 120.4° | 120.0° |
| C36 | C31 | C21 | 117.9° | 120.1° |
| C31 | C36 | H36 | 119.8° | 120.1° |
| C31 | C21 | C22 | 118.2° | 117.0° |
| C31 | C21 | N5 | 120.7° | 117.0° |
| C24 | C26 | C22 | 109.5° | 113.9° |
| C26 | C24 | C25 | 133.1° | 124.6° |
| C26 | C24 | S1 | 111.6° | 110.7° |
| C26 | C22 | C21 | 125.2° | 123.5° |
| C26 | C22 | C23 | 112.3° | 111.7° |
| C25 | C24 | S1 | 115.3° | 124.7° |
| C24 | C25 | H21 | 109.5° | 109.5° |
| C24 | C25 | H22 | 109.5° | 109.5° |
| C24 | C25 | H23 | 109.5° | 109.5° |
| C24 | S1 | C23 | 95.9° | 92.6° |
| C22 | C21 | N5 | 121.1° | 126.0° |
| C21 | C22 | C23 | 122.4° | 124.8° |
| C21 | N5 | C20 | 120.6° | 122.4° |
| C22 | C23 | S1 | 110.6° | 111.0° |
| C22 | C23 | N6 | 123.2° | 124.1° |
| N5 | C20 | C30 | 106.2° | 109.2° |
| N5 | C20 | C19 | 105.4° | 109.5° |
| N5 | C20 | H20 | 111.7° | 109.5° |
| C16 | C17 | N4 | 112.5° | 109.5° |
| C17 | C16 | O2 | 109.7° | 109.5° |
| C17 | C16 | H14 | 109.4° | 109.5° |
| C17 | C16 | H15 | 109.4° | 109.5° |
| C16 | C17 | H16 | 108.7° | 109.5° |
| C16 | C17 | H17 | 108.7° | 109.5° |
| C17 | N4 | C18 | 120.4° | 120.0° |
| N4 | C17 | H16 | 108.7° | 109.5° |
| N4 | C17 | H17 | 108.7° | 109.5° |
| C17 | N4 | H46 | 119.8° | 120.0° |
| C | C1 | S | 115.5° | 124.7° |
| C | C1 | C2 | 132.7° | 124.7° |
| C1 | C | H1 | 109.5° | 109.4° |
| C1 | C | H2 | 109.5° | 109.4° |
| C1 | C | H3 | 109.5° | 109.4° |
| S1 | C23 | N6 | 126.1° | 125.0° |
| O3 | C18 | N4 | 122.2° | 120.0° |
| O3 | C18 | C19 | 120.4° | 120.0° |
| C23 | N6 | C30 | 118.8° | 124.5° |
| C23 | N6 | C28 | 126.8° | 129.0° |
| C16 | O2 | C15 | 111.6° | 114.0° |
| O2 | C16 | H14 | 109.4° | 109.5° |
| O2 | C16 | H15 | 109.4° | 109.5° |
| C1 | S | C5 | 95.6° | 92.6° |
| S | C1 | C2 | 111.7° | 110.6° |
| S | C5 | N | 126.5° | 125.0° |
| S | C5 | C4 | 111.0° | 111.0° |
| N4 | C18 | C19 | 117.4° | 120.0° |
| C18 | N4 | H46 | 119.8° | 120.0° |
| C18 | C19 | C20 | 108.9° | 109.5° |
| C18 | C19 | H18 | 109.6° | 109.4° |
| C18 | C19 | H19 | 109.6° | 109.5° |
| C30 | C20 | C19 | 111.5° | 109.5° |
| C20 | C30 | N6 | 125.9° | 125.1° |
| C20 | C30 | N8 | 128.6° | 127.8° |
| C30 | C20 | H20 | 111.3° | 109.6° |
| C20 | C19 | H18 | 109.6° | 109.4° |
| C20 | C19 | H19 | 109.6° | 109.5° |
| C19 | C20 | H20 | 110.6° | 109.5° |
| C1 | C2 | C4 | 109.4° | 114.0° |
| C1 | C2 | C3 | 123.5° | 123.0° |
| C30 | N6 | C28 | 114.3° | 106.5° |
| N6 | C30 | N8 | 105.5° | 107.0° |
| N6 | C28 | C29 | 129.8° | 126.7° |
| N6 | C28 | N7 | 104.5° | 106.7° |
| C30 | N8 | N7 | 107.4° | 109.7° |
| O2 | C15 | C14 | 109.6° | 109.5° |
| O2 | C15 | H12 | 109.4° | 109.5° |
| O2 | C15 | H13 | 109.4° | 109.5° |
| C7 | C6 | N | 129.6° | 126.6° |
| C7 | C6 | N1 | 126.0° | 126.7° |
| C6 | C7 | H41 | 109.5° | 109.5° |
| C6 | C7 | H42 | 109.5° | 109.5° |
| C6 | C7 | H43 | 109.5° | 109.5° |
| C29 | C28 | N7 | 125.7° | 126.6° |
| C28 | C29 | H27 | 109.5° | 109.5° |
| C28 | C29 | H28 | 109.5° | 109.4° |
| C28 | C29 | H29 | 109.4° | 109.4° |
| N | C5 | C4 | 122.4° | 124.1° |
| C5 | N | C6 | 127.5° | 129.0° |
| C5 | N | C8 | 117.8° | 124.6° |
| C5 | C4 | C2 | 112.2° | 111.8° |
| C5 | C4 | C37 | 122.1° | 124.7° |
| C28 | N7 | N8 | 108.3° | 109.9° |
| N | C6 | N1 | 104.4° | 106.7° |
| C6 | N | C8 | 114.7° | 106.5° |
| C6 | N1 | N2 | 108.2° | 110.0° |
| N | C8 | C9 | 125.7° | 125.0° |
| N | C8 | N2 | 105.2° | 107.1° |
| C4 | C2 | C3 | 127.0° | 123.0° |
| C2 | C4 | C37 | 125.7° | 123.5° |
| C2 | C3 | H30 | 109.5° | 109.5° |
| C2 | C3 | H31 | 109.4° | 109.4° |
| C2 | C3 | H32 | 109.5° | 109.5° |
| N1 | N2 | C8 | 107.5° | 109.7° |
| C9 | C8 | N2 | 129.0° | 127.8° |
| C8 | C9 | C10 | 109.9° | 109.5° |
| C8 | C9 | N9 | 104.0° | 109.2° |
| C8 | C9 | H44 | 111.9° | 109.6° |
| C15 | C14 | O1 | 109.5° | 109.5° |
| C15 | C14 | H10 | 109.5° | 109.5° |
| C15 | C14 | H11 | 109.5° | 109.5° |
| C14 | C15 | H12 | 109.4° | 109.4° |
| C14 | C15 | H13 | 109.4° | 109.4° |
| C10 | C9 | N9 | 107.3° | 109.5° |
| C9 | C10 | C11 | 111.6° | 109.5° |
| C9 | C10 | H4 | 108.9° | 109.5° |
| C9 | C10 | H5 | 108.9° | 109.5° |
| C10 | C9 | H44 | 111.2° | 109.5° |
| C9 | N9 | C37 | 120.5° | 122.5° |
| N9 | C9 | H44 | 112.3° | 109.6° |
| C10 | C11 | N3 | 117.7° | 120.0° |
| C10 | C11 | O | 119.9° | 120.0° |
| C11 | C10 | H4 | 109.0° | 109.4° |
| C11 | C10 | H5 | 109.0° | 109.5° |
| C4 | C37 | N9 | 119.6° | 126.0° |
| C4 | C37 | C38 | 119.7° | 117.0° |
| C11 | N3 | C12 | 120.3° | 120.0° |
| N3 | C11 | O | 122.4° | 120.0° |
| C11 | N3 | H45 | 119.8° | 120.0° |
| N3 | C12 | C13 | 113.2° | 109.5° |
| N3 | C12 | H6 | 108.5° | 109.5° |
| N3 | C12 | H7 | 108.5° | 109.4° |
| C12 | N3 | H45 | 119.8° | 120.0° |
| C14 | O1 | C13 | 112.2° | 114.0° |
| O1 | C14 | H10 | 109.5° | 109.5° |
| O1 | C14 | H11 | 109.5° | 109.5° |
| O1 | C13 | C12 | 110.4° | 109.5° |
| O1 | C13 | H8 | 109.2° | 109.5° |
| O1 | C13 | H9 | 109.2° | 109.4° |
| N9 | C37 | C38 | 120.7° | 117.0° |
| C37 | C38 | C43 | 118.9° | 120.1° |
| C37 | C38 | C39 | 121.3° | 120.1° |
| C13 | C12 | H6 | 108.5° | 109.4° |
| C13 | C12 | H7 | 108.5° | 109.5° |
| C12 | C13 | H8 | 109.2° | 109.5° |
| C12 | C13 | H9 | 109.2° | 109.4° |
| C43 | C38 | C39 | 119.7° | 119.7° |
| C38 | C43 | C42 | 120.6° | 119.9° |
| C38 | C43 | H40 | 119.7° | 120.1° |
| C38 | C39 | C40 | 119.6° | 119.9° |
| C38 | C39 | H37 | 120.2° | 120.0° |
| C43 | C42 | C41 | 119.7° | 120.1° |
| C43 | C42 | H39 | 120.2° | 120.0° |
| C42 | C43 | H40 | 119.7° | 120.0° |
| C39 | C40 | C41 | 120.3° | 120.1° |
| C40 | C39 | H37 | 120.2° | 120.1° |
| C39 | C40 | H38 | 119.9° | 119.9° |
| C42 | C41 | C40 | 120.0° | 120.3° |
| C42 | C41 | CL1 | 119.5° | 119.8° |
| C41 | C42 | H39 | 120.2° | 120.0° |
| C40 | C41 | CL1 | 120.5° | 119.9° |
| C41 | C40 | H38 | 119.8° | 120.0° |
| H1 | C | H2 | 109.4° | 109.5° |
| H1 | C | H3 | 109.5° | 109.5° |
| H2 | C | H3 | 109.5° | 109.5° |
| H4 | C10 | H5 | 109.5° | 109.4° |
| H6 | C12 | H7 | 109.5° | 109.5° |
| H8 | C13 | H9 | 109.5° | 109.5° |
| H10 | C14 | H11 | 109.5° | 109.4° |
| H12 | C15 | H13 | 109.5° | 109.4° |
| H14 | C16 | H15 | 109.5° | 109.5° |
| H16 | C17 | H17 | 109.4° | 109.4° |
| H18 | C19 | H19 | 109.5° | 109.5° |
| H21 | C25 | H22 | 109.5° | 109.4° |
| H21 | C25 | H23 | 109.5° | 109.4° |
| H22 | C25 | H23 | 109.5° | 109.5° |
| H24 | C27 | H25 | 109.5° | 109.5° |
| H24 | C27 | H26 | 109.4° | 109.4° |
| H25 | C27 | H26 | 109.5° | 109.5° |
| H27 | C29 | H28 | 109.5° | 109.5° |
| H27 | C29 | H29 | 109.5° | 109.5° |
| H28 | C29 | H29 | 109.5° | 109.5° |
| H30 | C3 | H31 | 109.5° | 109.5° |
| H30 | C3 | H32 | 109.5° | 109.5° |
| H31 | C3 | H32 | 109.5° | 109.5° |
| H41 | C7 | H42 | 109.4° | 109.4° |
| H41 | C7 | H43 | 109.5° | 109.4° |
| H42 | C7 | H43 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | C34 | C33 | C35 | 179.9° | 179.9° |
| CL | C34 | C33 | C32 | 179.9° | 180.0° |
| CL | C34 | C35 | C36 | 179.8° | 179.7° |
| CL | C34 | C33 | H34 | 0.1° | 0.1° |
| CL | C34 | C35 | H35 | 0.2° | 0.1° |
| C34 | C33 | C32 | H34 | 180.0° | 179.9° |
| C33 | C34 | C35 | C36 | 0.3° | 0.3° |
| C34 | C33 | C32 | C31 | 0.1° | 0.1° |
| C34 | C33 | C32 | H33 | 180.0° | 179.9° |
| C33 | C34 | C35 | H35 | 179.7° | 179.9° |
| C35 | C34 | C33 | C32 | 0.1° | 0.1° |
| C34 | C35 | C36 | H35 | 180.0° | 179.8° |
| C34 | C35 | C36 | C31 | 0.7° | 0.6° |
| C35 | C34 | C33 | H34 | 180.0° | 180.0° |
| C34 | C35 | C36 | H36 | 179.3° | 179.9° |
| C33 | C32 | C31 | H33 | 180.0° | 180.0° |
| C33 | C32 | C31 | C36 | 0.5° | 0.3° |
| C33 | C32 | C31 | C21 | 179.6° | 179.9° |
| C35 | C36 | C31 | C32 | 0.9° | 0.6° |
| C35 | C36 | C31 | H36 | 180.0° | 179.3° |
| C35 | C36 | C31 | C21 | 179.9° | 179.7° |
| C27 | C26 | C24 | C22 | 179.8° | 180.0° |
| C27 | C26 | C24 | C25 | 0.1° | 0.4° |
| C27 | C26 | C24 | S1 | 179.9° | 179.7° |
| C27 | C26 | C22 | C21 | 1.0° | 2.5° |
| C27 | C26 | C22 | C23 | 179.2° | 178.0° |
| C26 | C27 | H24 | H25 | 120.0° | 120.1° |
| C26 | C27 | H24 | H26 | 120.0° | 120.0° |
| C26 | C27 | H25 | H26 | 120.0° | 120.1° |
| C32 | C31 | C36 | C21 | 179.1° | 179.6° |
| C32 | C31 | C21 | C22 | 147.5° | 142.4° |
| C32 | C31 | C21 | N5 | 34.3° | 37.6° |
| C31 | C32 | C33 | H34 | 179.9° | 180.0° |
| C32 | C31 | C36 | H36 | 179.1° | 180.0° |
| C36 | C31 | C21 | C22 | 33.4° | 38.0° |
| C36 | C31 | C21 | N5 | 144.7° | 142.0° |
| C36 | C31 | C32 | H33 | 179.5° | 179.7° |
| C31 | C36 | C35 | H35 | 179.3° | 179.6° |
| C31 | C21 | C22 | C26 | 45.8° | 37.1° |
| C31 | C21 | C22 | N5 | 178.1° | 180.0° |
| C31 | C21 | C22 | C23 | 132.3° | 142.3° |
| C31 | C21 | N5 | C20 | 178.8° | 175.4° |
| C21 | C31 | C32 | H33 | 0.5° | 0.1° |
| C21 | C31 | C36 | H36 | 0.1° | 0.4° |
| C26 | C24 | C25 | S1 | 180.0° | 180.0° |
| C24 | C26 | C22 | C21 | 179.3° | 177.5° |
| C24 | C26 | C22 | C23 | 1.0° | 2.0° |
| C26 | C24 | S1 | C23 | 0.7° | 1.0° |
| C26 | C24 | C25 | H21 | 180.0° | 179.9° |
| C26 | C24 | C25 | H22 | 60.0° | 60.1° |
| C26 | C24 | C25 | H23 | 60.0° | 60.0° |
| C24 | C26 | C27 | H24 | 90.1° | 92.8° |
| C24 | C26 | C27 | H25 | 149.9° | 147.2° |
| C24 | C26 | C27 | H26 | 29.9° | 27.1° |
| C22 | C26 | C24 | C25 | 179.9° | 179.7° |
| C22 | C26 | C24 | S1 | 0.1° | 0.3° |
| C26 | C22 | C21 | C23 | 178.1° | 179.4° |
| C26 | C22 | C21 | N5 | 136.1° | 142.9° |
| C26 | C22 | C23 | S1 | 1.5° | 2.7° |
| C26 | C22 | C23 | N6 | 178.4° | 176.8° |
| C22 | C26 | C27 | H24 | 90.1° | 87.2° |
| C22 | C26 | C27 | H25 | 29.9° | 32.8° |
| C22 | C26 | C27 | H26 | 149.9° | 152.9° |
| C25 | C24 | S1 | C23 | 179.3° | 179.0° |
| C24 | C25 | H21 | H22 | 120.0° | 120.0° |
| C24 | C25 | H21 | H23 | 120.0° | 120.0° |
| C24 | C25 | H22 | H23 | 120.0° | 120.1° |
| C24 | S1 | C23 | C22 | 1.3° | 2.1° |
| C24 | S1 | C23 | N6 | 178.0° | 177.3° |
| S1 | C24 | C25 | H21 | 0.0° | 0.0° |
| S1 | C24 | C25 | H22 | 120.0° | 120.0° |
| S1 | C24 | C25 | H23 | 120.0° | 120.0° |
| C22 | C21 | N5 | C20 | 0.7° | 4.6° |
| C21 | C22 | C23 | S1 | 179.8° | 176.8° |
| C21 | C22 | C23 | N6 | 3.3° | 3.7° |
| N5 | C21 | C22 | C23 | 45.8° | 37.7° |
| C21 | N5 | C20 | C30 | 68.9° | 62.3° |
| C21 | N5 | C20 | C19 | 172.7° | 57.6° |
| C21 | N5 | C20 | H20 | 52.5° | 177.8° |
| C22 | C23 | S1 | N6 | 176.7° | 179.4° |
| C22 | C23 | N6 | C30 | 40.5° | 33.8° |
| C22 | C23 | N6 | C28 | 142.6° | 146.6° |
| N5 | C20 | C19 | C18 | 63.9° | 65.4° |
| N5 | C20 | C30 | C19 | 114.3° | 119.9° |
| N5 | C20 | C30 | H20 | 121.7° | 119.9° |
| N5 | C20 | C19 | H20 | 120.9° | 120.1° |
| N5 | C20 | C30 | N6 | 69.3° | 59.6° |
| N5 | C20 | C30 | N8 | 108.5° | 120.2° |
| N5 | C20 | C19 | H18 | 176.2° | 174.7° |
| N5 | C20 | C19 | H19 | 56.0° | 54.7° |
| C16 | C17 | N4 | H16 | 120.5° | 120.0° |
| C16 | C17 | N4 | H17 | 120.5° | 120.0° |
| C17 | C16 | O2 | H14 | 120.0° | 120.0° |
| C17 | C16 | O2 | H15 | 120.0° | 120.0° |
| C16 | C17 | N4 | C18 | 142.7° | 180.0° |
| C17 | C16 | O2 | C15 | 163.6° | 180.0° |
| C17 | C16 | H14 | H15 | 119.9° | 120.0° |
| C16 | C17 | H16 | H17 | 118.6° | 120.0° |
| C16 | C17 | N4 | H46 | 37.3° | 0.0° |
| C17 | N4 | C18 | O3 | 11.3° | 0.0° |
| N4 | C17 | C16 | O2 | 58.8° | 65.0° |
| C17 | N4 | C18 | H46 | 180.0° | 180.0° |
| C17 | N4 | C18 | C19 | 168.5° | 180.0° |
| N4 | C17 | C16 | H14 | 178.9° | 175.0° |
| N4 | C17 | C16 | H15 | 61.2° | 55.0° |
| N4 | C17 | H16 | H17 | 118.6° | 120.0° |
| C | C1 | S | C2 | 179.7° | 179.8° |
| C | C1 | S | C5 | 179.3° | 179.1° |
| C | C1 | C2 | C4 | 179.9° | 179.8° |
| C | C1 | C2 | C3 | 0.0° | 0.4° |
| C1 | C | H1 | H2 | 120.0° | 120.0° |
| C1 | C | H1 | H3 | 120.0° | 119.9° |
| C1 | C | H2 | H3 | 120.0° | 119.9° |
| S1 | C23 | N6 | C30 | 135.9° | 145.6° |
| S1 | C23 | N6 | C28 | 41.1° | 34.0° |
| O3 | C18 | N4 | C19 | 179.8° | 180.0° |
| O3 | C18 | C19 | C20 | 31.8° | 0.1° |
| O3 | C18 | C19 | H18 | 88.2° | 120.0° |
| O3 | C18 | C19 | H19 | 151.7° | 120.0° |
| O3 | C18 | N4 | H46 | 168.7° | 180.0° |
| C23 | N6 | C30 | C20 | 2.8° | 1.2° |
| C23 | N6 | C30 | C28 | 177.3° | 179.6° |
| C23 | N6 | C30 | N8 | 179.0° | 179.0° |
| C23 | N6 | C28 | C29 | 2.5° | 0.9° |
| C23 | N6 | C28 | N7 | 178.5° | 179.1° |
| C16 | O2 | C15 | C14 | 179.1° | 180.0° |
| C16 | O2 | C15 | H12 | 60.8° | 60.0° |
| C16 | O2 | C15 | H13 | 59.1° | 60.0° |
| O2 | C16 | H14 | H15 | 119.9° | 120.0° |
| O2 | C16 | C17 | H16 | 179.3° | 175.0° |
| O2 | C16 | C17 | H17 | 61.6° | 55.0° |
| C1 | S | C5 | N | 177.5° | 178.0° |
| C1 | S | C5 | C4 | 1.5° | 1.7° |
| S | C1 | C2 | C4 | 0.2° | 0.5° |
| S | C1 | C2 | C3 | 179.6° | 179.4° |
| S | C1 | C | H1 | 0.0° | 90.3° |
| S | C1 | C | H2 | 120.0° | 29.7° |
| S | C1 | C | H3 | 120.0° | 149.7° |
| C5 | S | C1 | C2 | 1.0° | 0.7° |
| S | C5 | N | C4 | 175.5° | 179.7° |
| S | C5 | N | C6 | 44.4° | 33.6° |
| S | C5 | N | C8 | 133.1° | 145.9° |
| S | C5 | C4 | C2 | 1.6° | 2.2° |
| S | C5 | C4 | C37 | 179.5° | 176.3° |
| N4 | C18 | C19 | C20 | 148.0° | 180.0° |
| C18 | N4 | C17 | H16 | 96.9° | 59.9° |
| C18 | N4 | C17 | H17 | 22.2° | 60.0° |
| N4 | C18 | C19 | H18 | 92.0° | 60.0° |
| N4 | C18 | C19 | H19 | 28.1° | 60.0° |
| C18 | C19 | C20 | C30 | 178.7° | 175.0° |
| C18 | C19 | C20 | H18 | 119.9° | 119.9° |
| C18 | C19 | C20 | H19 | 119.9° | 120.0° |
| C18 | C19 | H18 | H19 | 120.3° | 120.0° |
| C18 | C19 | C20 | H20 | 57.0° | 54.8° |
| C19 | C18 | N4 | H46 | 11.5° | 0.0° |
| C30 | C20 | C19 | H20 | 124.3° | 120.2° |
| C20 | C30 | N6 | N8 | 178.2° | 179.8° |
| C20 | C30 | N6 | C28 | 179.8° | 179.2° |
| C20 | C30 | N8 | N7 | 179.3° | 179.3° |
| C30 | C20 | C19 | H18 | 61.4° | 55.0° |
| C30 | C20 | C19 | H19 | 58.8° | 65.0° |
| C19 | C20 | C30 | N6 | 176.4° | 60.3° |
| C19 | C20 | C30 | N8 | 5.8° | 120.0° |
| C20 | C19 | H18 | H19 | 120.3° | 120.0° |
| C1 | C2 | C4 | C5 | 0.9° | 1.8° |
| C1 | C2 | C4 | C3 | 179.9° | 179.9° |
| C1 | C2 | C4 | C37 | 179.7° | 176.8° |
| C2 | C1 | C | H1 | 179.6° | 89.9° |
| C2 | C1 | C | H2 | 60.4° | 150.0° |
| C2 | C1 | C | H3 | 59.6° | 30.0° |
| C1 | C2 | C3 | H30 | 90.1° | 84.1° |
| C1 | C2 | C3 | H31 | 149.9° | 155.9° |
| C1 | C2 | C3 | H32 | 29.9° | 36.0° |
| C30 | N6 | C28 | C29 | 179.5° | 179.4° |
| C30 | N6 | C28 | N7 | 1.4° | 0.5° |
| N6 | C30 | N8 | N7 | 1.2° | 0.5° |
| N6 | C30 | C20 | H20 | 52.4° | 179.6° |
| C28 | N6 | C30 | N8 | 1.7° | 0.7° |
| N6 | C28 | C29 | N7 | 178.8° | 180.0° |
| N6 | C28 | N7 | N8 | 0.6° | 0.2° |
| N6 | C28 | C29 | H27 | 178.8° | 90.0° |
| N6 | C28 | C29 | H28 | 58.8° | 30.0° |
| N6 | C28 | C29 | H29 | 61.2° | 150.0° |
| C30 | N8 | N7 | C28 | 0.3° | 0.2° |
| N8 | C30 | C20 | H20 | 129.8° | 0.2° |
| O2 | C15 | C14 | H12 | 120.0° | 120.0° |
| O2 | C15 | C14 | H13 | 120.0° | 120.1° |
| O2 | C15 | C14 | O1 | 72.7° | 65.0° |
| O2 | C15 | C14 | H10 | 167.3° | 175.0° |
| O2 | C15 | C14 | H11 | 47.3° | 55.0° |
| O2 | C15 | H12 | H13 | 119.9° | 120.1° |
| C15 | O2 | C16 | H14 | 76.4° | 60.0° |
| C15 | O2 | C16 | H15 | 43.5° | 60.0° |
| C7 | C6 | N | C5 | 1.9° | 0.9° |
| C7 | C6 | N | N1 | 179.4° | 180.0° |
| C7 | C6 | N | C8 | 179.5° | 179.5° |
| C7 | C6 | N1 | N2 | 179.8° | 179.8° |
| C6 | C7 | H41 | H42 | 120.0° | 120.0° |
| C6 | C7 | H41 | H43 | 120.0° | 120.0° |
| C6 | C7 | H42 | H43 | 120.0° | 120.1° |
| C29 | C28 | N7 | N8 | 179.7° | 179.8° |
| C28 | C29 | H27 | H28 | 120.0° | 119.9° |
| C28 | C29 | H27 | H29 | 120.0° | 120.0° |
| C28 | C29 | H28 | H29 | 120.0° | 120.0° |
| C5 | N | C6 | C8 | 177.6° | 179.6° |
| C5 | N | C6 | N1 | 178.8° | 179.1° |
| N | C5 | C4 | C2 | 177.8° | 177.5° |
| C5 | N | C8 | C9 | 2.8° | 1.4° |
| C5 | N | C8 | N2 | 179.3° | 179.0° |
| N | C5 | C4 | C37 | 3.4° | 4.0° |
| C4 | C5 | N | C6 | 140.1° | 146.7° |
| C4 | C5 | N | C8 | 42.4° | 33.8° |
| C5 | C4 | C2 | C37 | 178.8° | 178.6° |
| C5 | C4 | C2 | C3 | 179.3° | 178.1° |
| C5 | C4 | C37 | N9 | 48.4° | 37.8° |
| C5 | C4 | C37 | C38 | 129.8° | 142.2° |
| N7 | C28 | C29 | H27 | 0.0° | 90.0° |
| N7 | C28 | C29 | H28 | 120.0° | 150.0° |
| N7 | C28 | C29 | H29 | 120.0° | 30.0° |
| N | C6 | N1 | N2 | 0.4° | 0.2° |
| C6 | N | C8 | C9 | 179.4° | 179.0° |
| C6 | N | C8 | N2 | 1.4° | 0.6° |
| N | C6 | C7 | H41 | 179.2° | 90.0° |
| N | C6 | C7 | H42 | 59.2° | 150.0° |
| N | C6 | C7 | H43 | 60.8° | 29.9° |
| N1 | C6 | N | C8 | 1.2° | 0.5° |
| C6 | N1 | N2 | C8 | 0.4° | 0.2° |
| N1 | C6 | C7 | H41 | 0.0° | 90.0° |
| N1 | C6 | C7 | H42 | 120.0° | 30.0° |
| N1 | C6 | C7 | H43 | 120.0° | 150.0° |
| N | C8 | N2 | N1 | 1.1° | 0.5° |
| N | C8 | C9 | N2 | 177.4° | 179.5° |
| N | C8 | C9 | C10 | 173.6° | 60.4° |
| N | C8 | C9 | N9 | 71.9° | 59.4° |
| N | C8 | C9 | H44 | 49.5° | 179.5° |
| C2 | C4 | C37 | N9 | 132.9° | 143.8° |
| C2 | C4 | C37 | C38 | 48.8° | 36.2° |
| C4 | C2 | C3 | H30 | 90.1° | 95.8° |
| C4 | C2 | C3 | H31 | 29.9° | 24.2° |
| C4 | C2 | C3 | H32 | 149.9° | 144.2° |
| C3 | C2 | C4 | C37 | 0.5° | 3.3° |
| C2 | C3 | H30 | H31 | 120.0° | 120.0° |
| C2 | C3 | H30 | H32 | 120.0° | 120.0° |
| C2 | C3 | H31 | H32 | 120.0° | 120.0° |
| N1 | N2 | C8 | C9 | 178.9° | 179.1° |
| C8 | C9 | C10 | N9 | 112.5° | 119.6° |
| C8 | C9 | C10 | H44 | 124.4° | 120.1° |
| C8 | C9 | N9 | H44 | 121.2° | 120.0° |
| C8 | C9 | C10 | C11 | 144.0° | 175.0° |
| C8 | C9 | N9 | C37 | 70.5° | 62.4° |
| C8 | C9 | C10 | H4 | 23.7° | 55.0° |
| C8 | C9 | C10 | H5 | 95.6° | 65.0° |
| N2 | C8 | C9 | C10 | 9.0° | 120.1° |
| N2 | C8 | C9 | N9 | 105.5° | 120.1° |
| N2 | C8 | C9 | H44 | 133.1° | 0.0° |
| C15 | C14 | O1 | H10 | 120.0° | 120.0° |
| C15 | C14 | O1 | H11 | 120.0° | 120.0° |
| C15 | C14 | O1 | C13 | 139.2° | 180.0° |
| C15 | C14 | H10 | H11 | 120.0° | 120.0° |
| C14 | C15 | H12 | H13 | 120.0° | 119.9° |
| C10 | C9 | N9 | H44 | 122.4° | 120.1° |
| C9 | C10 | C11 | H4 | 120.3° | 120.0° |
| C9 | C10 | C11 | H5 | 120.3° | 120.1° |
| C9 | C10 | C11 | N3 | 96.3° | 180.0° |
| C9 | C10 | C11 | O | 84.3° | 0.0° |
| C10 | C9 | N9 | C37 | 173.1° | 57.5° |
| C9 | C10 | H4 | H5 | 119.0° | 120.0° |
| N9 | C9 | C10 | C11 | 31.6° | 65.4° |
| C9 | N9 | C37 | C4 | 0.1° | 4.7° |
| C9 | N9 | C37 | C38 | 178.1° | 175.3° |
| N9 | C9 | C10 | H4 | 88.7° | 174.6° |
| N9 | C9 | C10 | H5 | 151.9° | 54.7° |
| C10 | C11 | N3 | O | 179.4° | 180.0° |
| C10 | C11 | N3 | C12 | 166.3° | 180.0° |
| C11 | C10 | H4 | H5 | 119.1° | 120.0° |
| C11 | C10 | C9 | H44 | 91.5° | 54.9° |
| C10 | C11 | N3 | H45 | 13.7° | 0.1° |
| C4 | C37 | N9 | C38 | 178.2° | 180.0° |
| C4 | C37 | C38 | C43 | 26.3° | 36.6° |
| C4 | C37 | C38 | C39 | 154.9° | 143.6° |
| C11 | N3 | C12 | H45 | 180.0° | 179.9° |
| C11 | N3 | C12 | C13 | 68.6° | 180.0° |
| N3 | C11 | C10 | H4 | 143.4° | 60.0° |
| N3 | C11 | C10 | H5 | 24.0° | 60.0° |
| C11 | N3 | C12 | H6 | 170.9° | 60.0° |
| C11 | N3 | C12 | H7 | 52.0° | 60.1° |
| N3 | C12 | C13 | O1 | 91.7° | 64.9° |
| C12 | N3 | C11 | O | 13.0° | 0.1° |
| N3 | C12 | C13 | H6 | 120.6° | 120.0° |
| N3 | C12 | C13 | H7 | 120.6° | 119.9° |
| N3 | C12 | H6 | H7 | 118.3° | 120.0° |
| N3 | C12 | C13 | H8 | 28.4° | 175.0° |
| N3 | C12 | C13 | H9 | 148.1° | 55.0° |
| C14 | O1 | C13 | C12 | 176.8° | 180.0° |
| C14 | O1 | C13 | H8 | 63.0° | 59.9° |
| C14 | O1 | C13 | H9 | 56.7° | 60.1° |
| O1 | C14 | H10 | H11 | 120.0° | 120.0° |
| O1 | C14 | C15 | H12 | 47.3° | 175.0° |
| O1 | C14 | C15 | H13 | 167.3° | 55.0° |
| O1 | C13 | C12 | H8 | 120.1° | 120.0° |
| O1 | C13 | C12 | H9 | 120.1° | 120.0° |
| O1 | C13 | C12 | H6 | 28.8° | 175.1° |
| O1 | C13 | C12 | H7 | 147.7° | 55.0° |
| O1 | C13 | H8 | H9 | 119.6° | 120.0° |
| C13 | O1 | C14 | H10 | 19.2° | 60.0° |
| C13 | O1 | C14 | H11 | 100.8° | 59.9° |
| O | C11 | C10 | H4 | 36.0° | 120.0° |
| O | C11 | C10 | H5 | 155.4° | 120.0° |
| O | C11 | N3 | H45 | 167.0° | 180.0° |
| N9 | C37 | C38 | C43 | 151.9° | 143.3° |
| N9 | C37 | C38 | C39 | 26.9° | 36.4° |
| C37 | N9 | C9 | H44 | 50.7° | 177.6° |
| C37 | C38 | C43 | C39 | 178.9° | 179.7° |
| C37 | C38 | C43 | C42 | 179.8° | 179.8° |
| C37 | C38 | C39 | C40 | 179.6° | 180.0° |
| C37 | C38 | C39 | H37 | 0.4° | 0.1° |
| C37 | C38 | C43 | H40 | 0.2° | 0.0° |
| C13 | C12 | H6 | H7 | 118.3° | 120.0° |
| C12 | C13 | H8 | H9 | 119.6° | 120.0° |
| C13 | C12 | N3 | H45 | 111.4° | 0.1° |
| C38 | C43 | C42 | H40 | 180.0° | 179.7° |
| C43 | C38 | C39 | C40 | 0.7° | 0.2° |
| C38 | C43 | C42 | C41 | 0.6° | 0.5° |
| C43 | C38 | C39 | H37 | 179.3° | 179.8° |
| C38 | C43 | C42 | H39 | 179.4° | 179.7° |
| C39 | C38 | C43 | C42 | 0.9° | 0.5° |
| C38 | C39 | C40 | H37 | 180.0° | 180.0° |
| C38 | C39 | C40 | C41 | 0.3° | 0.0° |
| C38 | C39 | C40 | H38 | 179.7° | 180.0° |
| C39 | C38 | C43 | H40 | 179.1° | 179.8° |
| C43 | C42 | C41 | H39 | 180.0° | 179.7° |
| C43 | C42 | C41 | C40 | 0.2° | 0.3° |
| C43 | C42 | C41 | CL1 | 179.8° | 179.8° |
| C39 | C40 | C41 | C42 | 0.1° | 0.0° |
| C39 | C40 | C41 | H38 | 180.0° | 180.0° |
| C39 | C40 | C41 | CL1 | 179.9° | 180.0° |
| C42 | C41 | C40 | CL1 | 180.0° | 179.9° |
| C42 | C41 | C40 | H38 | 179.9° | 180.0° |
| C41 | C42 | C43 | H40 | 179.4° | 179.7° |
| C41 | C40 | C39 | H37 | 179.7° | 180.0° |
| C40 | C41 | C42 | H39 | 179.8° | 180.0° |
| CL1 | C41 | C40 | H38 | 0.1° | 0.0° |
| CL1 | C41 | C42 | H39 | 0.2° | 0.0° |
| H1 | C | H2 | H3 | 120.0° | 120.1° |
| H4 | C10 | C9 | H44 | 148.2° | 65.1° |
| H5 | C10 | C9 | H44 | 28.8° | 174.9° |
| H6 | C12 | C13 | H8 | 149.0° | 55.0° |
| H6 | C12 | C13 | H9 | 91.3° | 65.0° |
| H6 | C12 | N3 | H45 | 9.1° | 119.9° |
| H7 | C12 | C13 | H8 | 92.2° | 65.0° |
| H7 | C12 | C13 | H9 | 27.5° | 174.9° |
| H7 | C12 | N3 | H45 | 128.0° | 120.0° |
| H10 | C14 | C15 | H12 | 72.7° | 55.0° |
| H10 | C14 | C15 | H13 | 47.3° | 65.0° |
| H11 | C14 | C15 | H12 | 167.3° | 65.0° |
| H11 | C14 | C15 | H13 | 72.7° | 175.0° |
| H14 | C16 | C17 | H16 | 60.7° | 55.0° |
| H14 | C16 | C17 | H17 | 58.4° | 65.0° |
| H15 | C16 | C17 | H16 | 59.3° | 65.1° |
| H15 | C16 | C17 | H17 | 178.4° | 175.0° |
| H16 | C17 | N4 | H46 | 83.1° | 120.0° |
| H17 | C17 | N4 | H46 | 157.8° | 120.0° |
| H18 | C19 | C20 | H20 | 63.0° | 65.2° |
| H19 | C19 | C20 | H20 | 176.9° | 174.8° |
| H21 | C25 | H22 | H23 | 120.0° | 119.9° |
| H24 | C27 | H25 | H26 | 120.0° | 119.9° |
| H27 | C29 | H28 | H29 | 120.0° | 120.1° |
| H30 | C3 | H31 | H32 | 120.0° | 120.0° |
| H33 | C32 | C33 | H34 | 0.1° | 0.0° |
| H35 | C35 | C36 | H36 | 0.7° | 0.3° |
| H37 | C39 | C40 | H38 | 0.4° | 0.0° |
| H39 | C42 | C43 | H40 | 0.6° | 0.0° |
| H41 | C7 | H42 | H43 | 120.0° | 119.9° |
