4J0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O50 | C26 | sing | 1.43Å | 1.43Å | |
| C26 | C24 | sing | 1.53Å | 1.53Å | |
| O61 | C60 | sing | 1.43Å | 1.43Å | |
| N43 | N44 | doub | 1.29Å | 1.23Å | Aromatic |
| N43 | C40 | sing | 1.34Å | 1.32Å | Aromatic |
| N44 | N33 | sing | 1.29Å | 1.26Å | Aromatic |
| O48 | C47 | sing | 1.43Å | 1.43Å | |
| C64 | C51 | sing | 1.53Å | 1.52Å | |
| C64 | C65 | sing | 1.53Å | 1.53Å | |
| C47 | C7 | sing | 1.53Å | 1.53Å | |
| C51 | O53 | sing | 1.43Å | 1.43Å | |
| C24 | O27 | sing | 1.43Å | 1.43Å | |
| C24 | C35 | sing | 1.53Å | 1.52Å | |
| C60 | C56 | sing | 1.53Å | 1.53Å | |
| O27 | C28 | sing | 1.43Å | 1.43Å | |
| N33 | C35 | sing | 1.47Å | 1.47Å | |
| N33 | C39 | sing | 1.35Å | 1.33Å | Aromatic |
| C40 | C65 | sing | 1.51Å | 1.52Å | |
| C40 | C39 | doub | 1.35Å | 1.32Å | Aromatic |
| O54 | C56 | sing | 1.43Å | 1.44Å | |
| O54 | C52 | sing | 1.43Å | 1.43Å | |
| C35 | C25 | sing | 1.53Å | 1.52Å | |
| C23 | O11 | sing | 1.43Å | 1.43Å | |
| C23 | C19 | sing | 1.53Å | 1.53Å | |
| C56 | C55 | sing | 1.53Å | 1.53Å | |
| C7 | O31 | sing | 1.43Å | 1.45Å | |
| C7 | C4 | sing | 1.53Å | 1.52Å | |
| O53 | C52 | sing | 1.43Å | 1.42Å | |
| O31 | C22 | sing | 1.43Å | 1.44Å | |
| C52 | C62 | sing | 1.53Å | 1.51Å | |
| O77 | C71 | sing | 1.43Å | 1.44Å | |
| O76 | C72 | sing | 1.43Å | 1.44Å | |
| C28 | C30 | sing | 1.51Å | 1.50Å | |
| C28 | C15 | sing | 1.53Å | 1.52Å | |
| C30 | C17 | doub | 1.35Å | 1.31Å | Aromatic |
| C30 | N32 | sing | 1.34Å | 1.33Å | Aromatic |
| C17 | N20 | sing | 1.35Å | 1.32Å | Aromatic |
| O1 | C19 | sing | 1.43Å | 1.44Å | |
| O1 | C2 | sing | 1.43Å | 1.44Å | |
| N32 | N9 | doub | 1.29Å | 1.25Å | Aromatic |
| N20 | C4 | sing | 1.47Å | 1.46Å | |
| N20 | N9 | sing | 1.29Å | 1.26Å | Aromatic |
| C4 | C6 | sing | 1.53Å | 1.50Å | |
| C25 | C15 | sing | 1.53Å | 1.51Å | |
| C25 | O21 | sing | 1.43Å | 1.43Å | |
| C19 | C14 | sing | 1.53Å | 1.53Å | |
| N18 | N16 | doub | 1.29Å | 1.20Å | Aromatic |
| N18 | N13 | sing | 1.29Å | 1.25Å | Aromatic |
| C22 | N13 | sing | 1.47Å | 1.46Å | |
| C22 | C12 | sing | 1.53Å | 1.52Å | |
| C15 | O49 | sing | 1.43Å | 1.44Å | |
| C72 | C71 | sing | 1.53Å | 1.52Å | |
| C72 | C75 | sing | 1.53Å | 1.52Å | |
| N16 | C8 | sing | 1.34Å | 1.33Å | Aromatic |
| C55 | O57 | sing | 1.43Å | 1.43Å | |
| C55 | C59 | sing | 1.53Å | 1.51Å | |
| N13 | C29 | sing | 1.35Å | 1.33Å | Aromatic |
| C71 | C70 | sing | 1.53Å | 1.52Å | |
| C80 | C41 | sing | 1.51Å | 1.53Å | |
| C80 | C79 | sing | 1.53Å | 1.54Å | |
| C8 | C29 | doub | 1.35Å | 1.32Å | Aromatic |
| C8 | C2 | sing | 1.51Å | 1.51Å | |
| C42 | C41 | doub | 1.35Å | 1.31Å | Aromatic |
| C42 | N10 | sing | 1.35Å | 1.33Å | Aromatic |
| C62 | C59 | sing | 1.53Å | 1.51Å | |
| C62 | O63 | sing | 1.43Å | 1.42Å | |
| C14 | N10 | sing | 1.46Å | 1.48Å | |
| C14 | C36 | sing | 1.53Å | 1.51Å | |
| O73 | C70 | sing | 1.43Å | 1.43Å | |
| C41 | N38 | sing | 1.34Å | 1.33Å | Aromatic |
| C2 | C34 | sing | 1.53Å | 1.52Å | |
| C59 | O58 | sing | 1.43Å | 1.43Å | |
| N10 | N37 | sing | 1.29Å | 1.26Å | Aromatic |
| O67 | C75 | sing | 1.43Å | 1.45Å | |
| O67 | C69 | sing | 1.43Å | 1.43Å | |
| C6 | C12 | sing | 1.53Å | 1.49Å | |
| C6 | O45 | sing | 1.43Å | 1.44Å | |
| C12 | O46 | sing | 1.43Å | 1.43Å | |
| C75 | O68 | sing | 1.43Å | 1.44Å | |
| N38 | N37 | doub | 1.29Å | 1.30Å | Aromatic |
| C70 | C66 | sing | 1.53Å | 1.52Å | |
| C79 | C69 | sing | 1.53Å | 1.52Å | |
| C34 | C36 | sing | 1.53Å | 1.50Å | |
| C34 | O5 | sing | 1.43Å | 1.45Å | |
| C36 | O3 | sing | 1.43Å | 1.43Å | |
| O68 | C66 | sing | 1.43Å | 1.45Å | |
| C66 | C78 | sing | 1.53Å | 1.53Å | |
| C78 | O74 | sing | 1.43Å | 1.43Å | |
| O63 | H63 | sing | 0.97Å | 0.95Å | |
| C62 | H62 | sing | 1.09Å | 1.10Å | |
| C59 | H59 | sing | 1.09Å | 1.10Å | |
| O58 | H58 | sing | 0.97Å | 0.95Å | |
| C55 | H55 | sing | 1.09Å | 1.10Å | |
| O57 | H57 | sing | 0.97Å | 0.95Å | |
| C56 | H56 | sing | 1.09Å | 1.10Å | |
| C60 | H60 | sing | 1.09Å | 1.10Å | |
| C60 | H7P | sing | 1.09Å | 1.10Å | |
| O61 | H61 | sing | 0.97Å | 0.95Å | |
| C52 | H52 | sing | 1.09Å | 1.10Å | |
| C51 | H51 | sing | 1.09Å | 1.10Å | |
| C51 | H7O | sing | 1.09Å | 1.10Å | |
| C64 | H7Q | sing | 1.09Å | 1.10Å | |
| C64 | H64 | sing | 1.09Å | 1.10Å | |
| C65 | H7R | sing | 1.09Å | 1.10Å | |
| C65 | H65 | sing | 1.09Å | 1.10Å | |
| C39 | H39 | sing | 1.08Å | 1.08Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H7M | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| O50 | H50 | sing | 0.97Å | 0.95Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| O21 | H21 | sing | 0.97Å | 0.95Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| O49 | H49 | sing | 0.97Å | 0.95Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C47 | H7N | sing | 1.09Å | 1.10Å | |
| C47 | H47 | sing | 1.09Å | 1.10Å | |
| O48 | H48 | sing | 0.97Å | 0.95Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| O45 | H45 | sing | 0.97Å | 0.95Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| O46 | H46 | sing | 0.97Å | 0.95Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| O5 | H53 | sing | 0.97Å | 0.95Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| O3 | H3 | sing | 0.97Å | 0.95Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H7L | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| O11 | H11 | sing | 0.97Å | 0.95Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C42 | H42 | sing | 1.08Å | 1.08Å | |
| C80 | H81 | sing | 1.09Å | 1.10Å | |
| C80 | H80 | sing | 1.09Å | 1.10Å | |
| C79 | H8A | sing | 1.09Å | 1.10Å | |
| C79 | H8B | sing | 1.09Å | 1.10Å | |
| C69 | H69 | sing | 1.09Å | 1.10Å | |
| C69 | H7S | sing | 1.09Å | 1.10Å | |
| C75 | H75 | sing | 1.09Å | 1.10Å | |
| C66 | H66 | sing | 1.09Å | 1.10Å | |
| C78 | H78 | sing | 1.09Å | 1.10Å | |
| C78 | H79 | sing | 1.09Å | 1.10Å | |
| O74 | H74 | sing | 0.97Å | 0.95Å | |
| C70 | H70 | sing | 1.09Å | 1.10Å | |
| O73 | H73 | sing | 0.97Å | 0.95Å | |
| C71 | H71 | sing | 1.09Å | 1.10Å | |
| O77 | H77 | sing | 0.97Å | 0.95Å | |
| C72 | H72 | sing | 1.09Å | 1.10Å | |
| O76 | H76 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O50 | C26 | C24 | 109.9° | 109.4° |
| O50 | C26 | H7M | 109.4° | 109.4° |
| O50 | C26 | H26 | 109.4° | 109.4° |
| C26 | O50 | H50 | 109.5° | 114.0° |
| C26 | C24 | O27 | 108.6° | 109.5° |
| C26 | C24 | C35 | 110.2° | 109.5° |
| C26 | C24 | H24 | 108.9° | 109.5° |
| C24 | C26 | H7M | 109.4° | 109.5° |
| C24 | C26 | H26 | 109.4° | 109.5° |
| O61 | C60 | C56 | 108.4° | 109.4° |
| O61 | C60 | H60 | 109.7° | 109.5° |
| O61 | C60 | H7P | 109.7° | 109.5° |
| C60 | O61 | H61 | 109.5° | 114.0° |
| N44 | N43 | C40 | 107.5° | 108.9° |
| N43 | N44 | N33 | 111.1° | 110.1° |
| N43 | C40 | C65 | 125.9° | 126.7° |
| N43 | C40 | C39 | 108.3° | 106.5° |
| N44 | N33 | C35 | 125.1° | 125.9° |
| N44 | N33 | C39 | 109.1° | 108.3° |
| O48 | C47 | C7 | 109.9° | 109.5° |
| O48 | C47 | H7N | 109.4° | 109.5° |
| O48 | C47 | H47 | 109.4° | 109.4° |
| C47 | O48 | H48 | 109.5° | 114.0° |
| C51 | C64 | C65 | 109.1° | 109.5° |
| C64 | C51 | O53 | 108.4° | 109.5° |
| C64 | C51 | H51 | 109.7° | 109.5° |
| C64 | C51 | H7O | 109.7° | 109.5° |
| C51 | C64 | H7Q | 109.5° | 109.5° |
| C51 | C64 | H64 | 109.5° | 109.5° |
| C64 | C65 | C40 | 109.0° | 109.5° |
| C65 | C64 | H7Q | 109.6° | 109.4° |
| C65 | C64 | H64 | 109.6° | 109.5° |
| C64 | C65 | H7R | 109.6° | 109.5° |
| C64 | C65 | H65 | 109.6° | 109.5° |
| C47 | C7 | O31 | 111.0° | 109.5° |
| C47 | C7 | C4 | 110.2° | 109.5° |
| C47 | C7 | H7 | 108.6° | 109.5° |
| C7 | C47 | H7N | 109.3° | 109.5° |
| C7 | C47 | H47 | 109.4° | 109.4° |
| C51 | O53 | C52 | 109.3° | 114.0° |
| O53 | C51 | H51 | 109.7° | 109.5° |
| O53 | C51 | H7O | 109.7° | 109.5° |
| O27 | C24 | C35 | 109.8° | 109.4° |
| C24 | O27 | C28 | 110.3° | 114.1° |
| O27 | C24 | H24 | 110.3° | 109.5° |
| C24 | C35 | N33 | 108.9° | 109.5° |
| C24 | C35 | C25 | 108.8° | 109.2° |
| C24 | C35 | H35 | 109.0° | 109.6° |
| C35 | C24 | H24 | 109.0° | 109.4° |
| C60 | C56 | O54 | 107.9° | 109.5° |
| C60 | C56 | C55 | 110.9° | 109.5° |
| C60 | C56 | H56 | 108.8° | 109.5° |
| C56 | C60 | H60 | 109.7° | 109.4° |
| C56 | C60 | H7P | 109.7° | 109.4° |
| O27 | C28 | C30 | 107.9° | 109.5° |
| O27 | C28 | C15 | 109.8° | 109.4° |
| O27 | C28 | H28 | 110.1° | 109.5° |
| C35 | N33 | C39 | 125.7° | 125.9° |
| N33 | C35 | C25 | 111.3° | 109.5° |
| N33 | C35 | H35 | 109.7° | 109.5° |
| N33 | C39 | C40 | 104.0° | 106.2° |
| N33 | C39 | H39 | 128.0° | 126.9° |
| C65 | C40 | C39 | 125.9° | 126.8° |
| C40 | C65 | H7R | 109.6° | 109.4° |
| C40 | C65 | H65 | 109.6° | 109.5° |
| C40 | C39 | H39 | 128.0° | 126.9° |
| C56 | O54 | C52 | 109.4° | 114.1° |
| O54 | C56 | C55 | 110.5° | 109.4° |
| O54 | C56 | H56 | 110.0° | 109.5° |
| O54 | C52 | O53 | 109.7° | 109.5° |
| O54 | C52 | C62 | 110.1° | 109.4° |
| O54 | C52 | H52 | 109.8° | 109.5° |
| C35 | C25 | C15 | 108.6° | 109.0° |
| C35 | C25 | O21 | 110.1° | 109.5° |
| C25 | C35 | H35 | 109.1° | 109.6° |
| C35 | C25 | H25 | 109.1° | 109.6° |
| O11 | C23 | C19 | 110.2° | 109.5° |
| O11 | C23 | H7L | 109.2° | 109.5° |
| O11 | C23 | H23 | 109.3° | 109.5° |
| C23 | O11 | H11 | 109.5° | 114.0° |
| C23 | C19 | O1 | 106.8° | 109.5° |
| C23 | C19 | C14 | 112.0° | 109.5° |
| C23 | C19 | H19 | 109.6° | 109.5° |
| C19 | C23 | H7L | 109.3° | 109.5° |
| C19 | C23 | H23 | 109.3° | 109.5° |
| C56 | C55 | O57 | 110.8° | 109.5° |
| C56 | C55 | C59 | 108.2° | 109.2° |
| C56 | C55 | H55 | 108.9° | 109.6° |
| C55 | C56 | H56 | 108.8° | 109.5° |
| O31 | C7 | C4 | 108.5° | 109.4° |
| C7 | O31 | C22 | 109.6° | 114.1° |
| O31 | C7 | H7 | 109.7° | 109.5° |
| C7 | C4 | N20 | 112.1° | 109.5° |
| C7 | C4 | C6 | 109.0° | 109.1° |
| C7 | C4 | H4 | 108.6° | 109.6° |
| C4 | C7 | H7 | 108.7° | 109.5° |
| O53 | C52 | C62 | 108.3° | 109.5° |
| O53 | C52 | H52 | 110.0° | 109.5° |
| O31 | C22 | N13 | 112.1° | 109.5° |
| O31 | C22 | C12 | 110.6° | 109.5° |
| O31 | C22 | H22 | 109.0° | 109.5° |
| C52 | C62 | C59 | 109.0° | 109.2° |
| C52 | C62 | O63 | 108.0° | 109.5° |
| C52 | C62 | H62 | 109.6° | 109.6° |
| C62 | C52 | H52 | 108.8° | 109.5° |
| O77 | C71 | C72 | 109.3° | 109.6° |
| O77 | C71 | C70 | 109.7° | 109.6° |
| O77 | C71 | H71 | 110.1° | 109.6° |
| C71 | O77 | H77 | 109.5° | 114.0° |
| O76 | C72 | C71 | 109.0° | 109.5° |
| O76 | C72 | C75 | 108.9° | 109.6° |
| O76 | C72 | H72 | 110.8° | 109.6° |
| C72 | O76 | H76 | 109.5° | 114.0° |
| C30 | C28 | C15 | 110.9° | 109.5° |
| C28 | C30 | C17 | 124.7° | 126.8° |
| C28 | C30 | N32 | 126.5° | 126.7° |
| C30 | C28 | H28 | 109.3° | 109.5° |
| C28 | C15 | C25 | 107.8° | 109.2° |
| C28 | C15 | O49 | 110.2° | 109.5° |
| C28 | C15 | H15 | 109.4° | 109.5° |
| C15 | C28 | H28 | 108.9° | 109.4° |
| C17 | C30 | N32 | 108.8° | 106.5° |
| C30 | C17 | N20 | 104.1° | 106.2° |
| C30 | C17 | H17 | 127.9° | 126.9° |
| C30 | N32 | N9 | 107.0° | 108.9° |
| C17 | N20 | C4 | 119.1° | 125.9° |
| C17 | N20 | N9 | 109.7° | 108.3° |
| N20 | C17 | H17 | 127.9° | 126.9° |
| C19 | O1 | C2 | 113.2° | 114.1° |
| O1 | C19 | C14 | 107.8° | 109.4° |
| O1 | C19 | H19 | 110.9° | 109.5° |
| O1 | C2 | C8 | 109.9° | 109.5° |
| O1 | C2 | C34 | 111.4° | 109.4° |
| O1 | C2 | H2 | 111.0° | 109.5° |
| N32 | N9 | N20 | 110.4° | 110.2° |
| C4 | N20 | N9 | 131.2° | 125.8° |
| N20 | C4 | C6 | 108.9° | 109.5° |
| N20 | C4 | H4 | 109.4° | 109.5° |
| C4 | C6 | C12 | 108.2° | 109.1° |
| C4 | C6 | O45 | 109.8° | 109.5° |
| C6 | C4 | H4 | 108.7° | 109.5° |
| C4 | C6 | H6 | 109.6° | 109.6° |
| C15 | C25 | O21 | 109.5° | 109.5° |
| C25 | C15 | O49 | 109.1° | 109.5° |
| C15 | C25 | H25 | 109.2° | 109.6° |
| C25 | C15 | H15 | 109.6° | 109.6° |
| O21 | C25 | H25 | 110.3° | 109.6° |
| C25 | O21 | H21 | 109.5° | 114.0° |
| C19 | C14 | N10 | 116.0° | 109.6° |
| C19 | C14 | C36 | 108.0° | 109.2° |
| C14 | C19 | H19 | 109.7° | 109.5° |
| C19 | C14 | H14 | 107.2° | 109.5° |
| N16 | N18 | N13 | 111.3° | 110.2° |
| N18 | N16 | C8 | 108.1° | 108.9° |
| N18 | N13 | C22 | 123.0° | 125.9° |
| N18 | N13 | C29 | 109.7° | 108.3° |
| N13 | C22 | C12 | 108.3° | 109.5° |
| C22 | N13 | C29 | 127.3° | 125.9° |
| N13 | C22 | H22 | 108.7° | 109.4° |
| C22 | C12 | C6 | 108.8° | 109.1° |
| C22 | C12 | O46 | 110.1° | 109.5° |
| C22 | C12 | H12 | 109.3° | 109.5° |
| C12 | C22 | H22 | 108.1° | 109.4° |
| O49 | C15 | H15 | 110.6° | 109.5° |
| C15 | O49 | H49 | 109.5° | 114.0° |
| C71 | C72 | C75 | 109.1° | 109.2° |
| C72 | C71 | C70 | 109.7° | 109.0° |
| C72 | C71 | H71 | 109.0° | 109.5° |
| C71 | C72 | H72 | 109.6° | 109.4° |
| C72 | C75 | O67 | 109.1° | 109.5° |
| C72 | C75 | O68 | 109.9° | 109.5° |
| C72 | C75 | H75 | 108.3° | 109.5° |
| C75 | C72 | H72 | 109.5° | 109.5° |
| N16 | C8 | C29 | 107.9° | 106.5° |
| N16 | C8 | C2 | 123.7° | 126.8° |
| O57 | C55 | C59 | 109.6° | 109.5° |
| O57 | C55 | H55 | 110.2° | 109.5° |
| C55 | O57 | H57 | 109.5° | 114.0° |
| C55 | C59 | C62 | 108.9° | 109.0° |
| C55 | C59 | O58 | 109.7° | 109.5° |
| C55 | C59 | H59 | 109.1° | 109.6° |
| C59 | C55 | H55 | 109.1° | 109.5° |
| N13 | C29 | C8 | 103.0° | 106.2° |
| N13 | C29 | H29 | 128.5° | 126.9° |
| C71 | C70 | O73 | 110.1° | 109.6° |
| C71 | C70 | C66 | 108.9° | 109.2° |
| C71 | C70 | H70 | 108.9° | 109.5° |
| C70 | C71 | H71 | 109.0° | 109.5° |
| C41 | C80 | C79 | 111.1° | 109.4° |
| C80 | C41 | C42 | 123.8° | 126.7° |
| C80 | C41 | N38 | 128.0° | 126.8° |
| C41 | C80 | H81 | 109.0° | 109.5° |
| C41 | C80 | H80 | 109.1° | 109.5° |
| C80 | C79 | C69 | 112.7° | 109.5° |
| C79 | C80 | H81 | 109.1° | 109.5° |
| C79 | C80 | H80 | 109.0° | 109.5° |
| C80 | C79 | H8A | 108.6° | 109.5° |
| C80 | C79 | H8B | 108.7° | 109.4° |
| C29 | C8 | C2 | 128.4° | 126.7° |
| C8 | C29 | H29 | 128.5° | 126.9° |
| C8 | C2 | C34 | 104.7° | 109.5° |
| C8 | C2 | H2 | 110.0° | 109.5° |
| C41 | C42 | N10 | 106.1° | 106.2° |
| C42 | C41 | N38 | 108.2° | 106.5° |
| C41 | C42 | H42 | 126.9° | 126.9° |
| C42 | N10 | C14 | 113.9° | 125.9° |
| C42 | N10 | N37 | 109.2° | 108.3° |
| N10 | C42 | H42 | 127.0° | 126.9° |
| C59 | C62 | O63 | 109.8° | 109.5° |
| C62 | C59 | O58 | 109.7° | 109.6° |
| C59 | C62 | H62 | 109.6° | 109.5° |
| C62 | C59 | H59 | 109.1° | 109.5° |
| C62 | O63 | H63 | 109.5° | 114.0° |
| O63 | C62 | H62 | 110.8° | 109.5° |
| N10 | C14 | C36 | 110.1° | 109.5° |
| C14 | N10 | N37 | 136.8° | 125.8° |
| N10 | C14 | H14 | 107.8° | 109.5° |
| C14 | C36 | C34 | 106.4° | 109.1° |
| C14 | C36 | O3 | 110.1° | 109.6° |
| C14 | C36 | H36 | 110.1° | 109.6° |
| C36 | C14 | H14 | 107.4° | 109.6° |
| O73 | C70 | C66 | 110.1° | 109.5° |
| O73 | C70 | H70 | 110.1° | 109.6° |
| C70 | O73 | H73 | 109.5° | 114.0° |
| C41 | N38 | N37 | 106.7° | 108.9° |
| C2 | C34 | C36 | 110.5° | 109.1° |
| C2 | C34 | O5 | 110.3° | 109.5° |
| C34 | C2 | H2 | 109.8° | 109.5° |
| C2 | C34 | H34 | 108.3° | 109.5° |
| O58 | C59 | H59 | 110.2° | 109.6° |
| C59 | O58 | H58 | 109.5° | 114.0° |
| N10 | N37 | N38 | 109.8° | 110.2° |
| C75 | O67 | C69 | 110.7° | 114.0° |
| O67 | C75 | O68 | 110.9° | 109.4° |
| O67 | C75 | H75 | 109.2° | 109.5° |
| O67 | C69 | C79 | 105.8° | 109.5° |
| O67 | C69 | H69 | 110.4° | 109.4° |
| O67 | C69 | H7S | 110.4° | 109.5° |
| C12 | C6 | O45 | 109.0° | 109.5° |
| C6 | C12 | O46 | 108.6° | 109.5° |
| C12 | C6 | H6 | 109.7° | 109.6° |
| C6 | C12 | H12 | 109.6° | 109.6° |
| O45 | C6 | H6 | 110.5° | 109.6° |
| C6 | O45 | H45 | 109.5° | 114.0° |
| O46 | C12 | H12 | 110.4° | 109.5° |
| C12 | O46 | H46 | 109.5° | 114.0° |
| C75 | O68 | C66 | 111.3° | 114.1° |
| O68 | C75 | H75 | 109.4° | 109.4° |
| C70 | C66 | O68 | 110.7° | 109.4° |
| C70 | C66 | C78 | 108.9° | 109.5° |
| C70 | C66 | H66 | 108.9° | 109.4° |
| C66 | C70 | H70 | 108.8° | 109.5° |
| C69 | C79 | H8A | 108.7° | 109.5° |
| C69 | C79 | H8B | 108.7° | 109.5° |
| C79 | C69 | H69 | 110.4° | 109.5° |
| C79 | C69 | H7S | 110.4° | 109.4° |
| C36 | C34 | O5 | 109.7° | 109.6° |
| C34 | C36 | O3 | 108.5° | 109.5° |
| C36 | C34 | H34 | 108.7° | 109.5° |
| C34 | C36 | H36 | 110.3° | 109.5° |
| O5 | C34 | H34 | 109.4° | 109.6° |
| C34 | O5 | H53 | 109.5° | 114.1° |
| O3 | C36 | H36 | 111.3° | 109.5° |
| C36 | O3 | H3 | 109.5° | 114.0° |
| O68 | C66 | C78 | 109.4° | 109.5° |
| O68 | C66 | H66 | 110.0° | 109.5° |
| C66 | C78 | O74 | 109.9° | 109.4° |
| C78 | C66 | H66 | 108.9° | 109.5° |
| C66 | C78 | H78 | 109.4° | 109.4° |
| C66 | C78 | H79 | 109.4° | 109.4° |
| O74 | C78 | H78 | 109.4° | 109.5° |
| O74 | C78 | H79 | 109.4° | 109.5° |
| C78 | O74 | H74 | 109.5° | 114.0° |
| H60 | C60 | H7P | 109.5° | 109.5° |
| H51 | C51 | H7O | 109.5° | 109.5° |
| H7Q | C64 | H64 | 109.5° | 109.4° |
| H7R | C65 | H65 | 109.5° | 109.4° |
| H7M | C26 | H26 | 109.5° | 109.5° |
| H7N | C47 | H47 | 109.5° | 109.5° |
| H7L | C23 | H23 | 109.5° | 109.5° |
| H81 | C80 | H80 | 109.5° | 109.5° |
| H8A | C79 | H8B | 109.5° | 109.5° |
| H69 | C69 | H7S | 109.5° | 109.5° |
| H78 | C78 | H79 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O50 | C26 | C24 | H7M | 120.1° | 120.0° |
| O50 | C26 | C24 | H26 | 120.0° | 119.9° |
| O50 | C26 | C24 | O27 | 63.1° | 65.0° |
| O50 | C26 | C24 | C35 | 57.2° | 175.1° |
| O50 | C26 | C24 | H24 | 176.7° | 55.1° |
| O50 | C26 | H7M | H26 | 119.8° | 120.0° |
| C26 | C24 | O27 | C35 | 120.5° | 120.0° |
| C26 | C24 | O27 | H24 | 119.3° | 120.1° |
| C26 | C24 | C35 | H24 | 119.5° | 120.0° |
| C26 | C24 | O27 | C28 | 176.7° | 178.9° |
| C26 | C24 | C35 | N33 | 59.4° | 62.5° |
| C26 | C24 | C35 | C25 | 179.1° | 177.6° |
| C26 | C24 | C35 | H35 | 60.2° | 57.6° |
| C24 | C26 | H7M | H26 | 119.8° | 120.1° |
| C24 | C26 | O50 | H50 | 180.0° | 180.0° |
| O61 | C60 | C56 | H60 | 119.9° | 120.0° |
| O61 | C60 | C56 | H7P | 119.8° | 120.0° |
| O61 | C60 | C56 | O54 | 63.9° | 65.1° |
| O61 | C60 | C56 | C55 | 174.9° | 175.0° |
| O61 | C60 | C56 | H56 | 55.4° | 55.0° |
| O61 | C60 | H60 | H7P | 120.5° | 120.1° |
| N43 | N44 | N33 | C35 | 179.2° | 180.0° |
| N43 | N44 | N33 | C39 | 1.3° | 0.0° |
| N44 | N43 | C40 | C65 | 179.9° | 180.0° |
| N44 | N43 | C40 | C39 | 0.1° | 0.3° |
| C40 | N43 | N44 | N33 | 0.8° | 0.2° |
| N43 | C40 | C65 | C64 | 20.1° | 55.3° |
| N43 | C40 | C39 | N33 | 0.7° | 0.3° |
| N43 | C40 | C65 | C39 | 179.9° | 179.7° |
| N43 | C40 | C65 | H7R | 99.9° | 175.3° |
| N43 | C40 | C65 | H65 | 140.0° | 64.7° |
| N43 | C40 | C39 | H39 | 179.4° | 179.7° |
| N44 | N33 | C35 | C24 | 96.9° | 95.4° |
| N44 | N33 | C35 | C39 | 177.6° | 180.0° |
| N44 | N33 | C39 | C40 | 1.2° | 0.2° |
| N44 | N33 | C35 | C25 | 143.2° | 145.0° |
| N44 | N33 | C39 | H39 | 178.9° | 179.8° |
| N44 | N33 | C35 | H35 | 22.4° | 24.8° |
| O48 | C47 | C7 | H7N | 120.1° | 120.1° |
| O48 | C47 | C7 | H47 | 120.1° | 119.9° |
| O48 | C47 | C7 | O31 | 60.8° | 65.0° |
| O48 | C47 | C7 | C4 | 59.5° | 175.1° |
| O48 | C47 | C7 | H7 | 178.5° | 55.1° |
| O48 | C47 | H7N | H47 | 119.8° | 120.0° |
| C51 | C64 | C65 | H7Q | 119.9° | 120.0° |
| C51 | C64 | C65 | H64 | 119.9° | 120.1° |
| C64 | C51 | O53 | H51 | 119.8° | 120.0° |
| C64 | C51 | O53 | H7O | 119.8° | 120.0° |
| C51 | C64 | C65 | C40 | 169.0° | 180.0° |
| C64 | C51 | O53 | C52 | 175.6° | 180.0° |
| C64 | C51 | H51 | H7O | 120.5° | 120.0° |
| C51 | C64 | H7Q | H64 | 120.1° | 120.0° |
| C51 | C64 | C65 | H7R | 49.1° | 60.0° |
| C51 | C64 | C65 | H65 | 71.0° | 60.0° |
| C65 | C64 | C51 | O53 | 58.7° | 180.0° |
| C64 | C65 | C40 | H7R | 120.0° | 120.0° |
| C64 | C65 | C40 | H65 | 119.9° | 120.1° |
| C64 | C65 | C40 | C39 | 159.8° | 125.0° |
| C65 | C64 | C51 | H51 | 178.5° | 60.0° |
| C65 | C64 | C51 | H7O | 61.2° | 60.0° |
| C65 | C64 | H7Q | H64 | 120.2° | 120.0° |
| C64 | C65 | H7R | H65 | 120.2° | 120.1° |
| C47 | C7 | O31 | C4 | 121.3° | 120.0° |
| C47 | C7 | O31 | H7 | 120.1° | 120.0° |
| C47 | C7 | C4 | H7 | 118.9° | 120.0° |
| C47 | C7 | O31 | C22 | 176.4° | 178.9° |
| C47 | C7 | C4 | N20 | 55.4° | 62.5° |
| C47 | C7 | C4 | C6 | 176.1° | 177.6° |
| C47 | C7 | C4 | H4 | 65.6° | 57.7° |
| C7 | C47 | H7N | H47 | 119.8° | 120.0° |
| C7 | C47 | O48 | H48 | 180.0° | 179.9° |
| C51 | O53 | C52 | O54 | 93.6° | 65.0° |
| C51 | O53 | C52 | C62 | 146.2° | 175.1° |
| C51 | O53 | C52 | H52 | 27.4° | 55.0° |
| O53 | C51 | H51 | H7O | 120.5° | 120.0° |
| O53 | C51 | C64 | H7Q | 178.6° | 60.0° |
| O53 | C51 | C64 | H64 | 61.3° | 60.0° |
| O27 | C24 | C35 | H24 | 121.0° | 119.9° |
| O27 | C24 | C35 | N33 | 179.0° | 177.5° |
| O27 | C24 | C35 | C25 | 59.5° | 57.6° |
| C24 | O27 | C28 | C30 | 175.0° | 178.9° |
| C24 | O27 | C28 | C15 | 64.0° | 61.1° |
| O27 | C24 | C35 | H35 | 59.3° | 62.4° |
| O27 | C24 | C26 | H7M | 176.9° | 175.1° |
| O27 | C24 | C26 | H26 | 57.0° | 55.0° |
| C24 | O27 | C28 | H28 | 55.8° | 58.9° |
| C35 | C24 | O27 | C28 | 62.8° | 61.1° |
| C24 | C35 | N33 | C25 | 119.9° | 119.7° |
| C24 | C35 | N33 | H35 | 119.3° | 120.1° |
| C24 | C35 | N33 | C39 | 80.7° | 84.7° |
| C24 | C35 | C25 | H35 | 118.8° | 120.0° |
| C24 | C35 | C25 | C15 | 57.9° | 57.0° |
| C24 | C35 | C25 | O21 | 177.7° | 176.8° |
| C35 | C24 | C26 | H7M | 62.9° | 55.1° |
| C35 | C24 | C26 | H26 | 177.3° | 65.0° |
| C24 | C35 | C25 | H25 | 61.0° | 62.9° |
| C60 | C56 | O54 | C55 | 121.4° | 120.0° |
| C60 | C56 | O54 | H56 | 118.5° | 120.0° |
| C60 | C56 | O54 | C52 | 175.5° | 178.9° |
| C60 | C56 | C55 | H56 | 119.6° | 120.0° |
| C60 | C56 | C55 | O57 | 59.1° | 57.7° |
| C60 | C56 | C55 | C59 | 179.3° | 177.6° |
| C60 | C56 | C55 | H55 | 62.2° | 62.5° |
| C56 | C60 | H60 | H7P | 120.5° | 119.9° |
| C56 | C60 | O61 | H61 | 180.0° | 179.9° |
| O27 | C28 | C30 | C15 | 120.2° | 120.0° |
| O27 | C28 | C30 | H28 | 119.7° | 120.0° |
| O27 | C28 | C15 | H28 | 120.6° | 120.0° |
| O27 | C28 | C30 | C17 | 81.1° | 114.9° |
| O27 | C28 | C30 | N32 | 98.4° | 64.7° |
| O27 | C28 | C15 | C25 | 61.5° | 57.6° |
| O27 | C28 | C15 | O49 | 179.5° | 177.5° |
| C28 | O27 | C24 | H24 | 57.4° | 58.8° |
| O27 | C28 | C15 | H15 | 57.7° | 62.4° |
| C35 | N33 | C39 | C40 | 179.1° | 179.8° |
| N33 | C35 | C25 | H35 | 121.2° | 120.2° |
| N33 | C35 | C25 | C15 | 177.9° | 176.9° |
| N33 | C35 | C25 | O21 | 62.2° | 63.3° |
| C35 | N33 | C39 | H39 | 1.0° | 0.2° |
| N33 | C35 | C24 | H24 | 60.1° | 57.5° |
| N33 | C35 | C25 | H25 | 59.0° | 57.0° |
| N33 | C39 | C40 | C65 | 179.4° | 180.0° |
| N33 | C39 | C40 | H39 | 180.0° | 180.0° |
| C39 | N33 | C35 | C25 | 39.3° | 35.0° |
| C39 | N33 | C35 | H35 | 160.1° | 155.2° |
| C40 | C65 | C64 | H7Q | 71.0° | 60.0° |
| C40 | C65 | C64 | H64 | 49.1° | 59.9° |
| C40 | C65 | H7R | H65 | 120.2° | 119.9° |
| C65 | C40 | C39 | H39 | 0.6° | 0.0° |
| C39 | C40 | C65 | H7R | 80.2° | 5.0° |
| C39 | C40 | C65 | H65 | 39.9° | 114.9° |
| O54 | C56 | C55 | H56 | 120.9° | 120.0° |
| C56 | O54 | C52 | O53 | 177.5° | 178.9° |
| C56 | O54 | C52 | C62 | 63.4° | 61.1° |
| O54 | C56 | C55 | O57 | 60.5° | 62.3° |
| O54 | C56 | C55 | C59 | 59.8° | 57.6° |
| O54 | C56 | C55 | H55 | 178.3° | 177.5° |
| O54 | C56 | C60 | H60 | 55.9° | 174.9° |
| O54 | C56 | C60 | H7P | 176.2° | 55.0° |
| C56 | O54 | C52 | H52 | 56.4° | 58.8° |
| C52 | O54 | C56 | C55 | 63.1° | 61.1° |
| O54 | C52 | O53 | C62 | 120.2° | 120.0° |
| O54 | C52 | O53 | H52 | 121.0° | 120.0° |
| O54 | C52 | C62 | H52 | 120.4° | 120.0° |
| O54 | C52 | C62 | C59 | 60.9° | 57.6° |
| O54 | C52 | C62 | O63 | 179.9° | 177.5° |
| O54 | C52 | C62 | H62 | 59.1° | 62.4° |
| C52 | O54 | C56 | H56 | 57.0° | 58.9° |
| C35 | C25 | C15 | C28 | 58.5° | 57.0° |
| C35 | C25 | C15 | O21 | 120.3° | 119.8° |
| C35 | C25 | C15 | H25 | 118.9° | 119.9° |
| C35 | C25 | O21 | H25 | 120.5° | 120.2° |
| C35 | C25 | C15 | O49 | 178.2° | 176.9° |
| C25 | C35 | C24 | H24 | 61.4° | 62.4° |
| C35 | C25 | O21 | H21 | 180.0° | 180.0° |
| C35 | C25 | C15 | H15 | 60.5° | 63.0° |
| O11 | C23 | C19 | H7L | 120.1° | 120.0° |
| O11 | C23 | C19 | H23 | 120.1° | 120.0° |
| O11 | C23 | C19 | O1 | 172.8° | 65.0° |
| O11 | C23 | C19 | C14 | 69.4° | 175.0° |
| O11 | C23 | C19 | H19 | 52.6° | 55.0° |
| O11 | C23 | H7L | H23 | 119.7° | 120.0° |
| C23 | C19 | O1 | C14 | 120.5° | 120.0° |
| C23 | C19 | O1 | H19 | 119.4° | 120.1° |
| C23 | C19 | O1 | C2 | 179.9° | 178.9° |
| C23 | C19 | C14 | H19 | 122.0° | 120.0° |
| C23 | C19 | C14 | N10 | 54.5° | 62.5° |
| C23 | C19 | C14 | C36 | 178.5° | 177.6° |
| C19 | C23 | H7L | H23 | 119.6° | 120.0° |
| C19 | C23 | O11 | H11 | 180.0° | 180.0° |
| C23 | C19 | C14 | H14 | 66.1° | 57.6° |
| C56 | C55 | O57 | C59 | 119.4° | 119.7° |
| C56 | C55 | O57 | H55 | 120.5° | 120.2° |
| C56 | C55 | C59 | H55 | 118.3° | 119.9° |
| C56 | C55 | C59 | C62 | 56.6° | 57.0° |
| C56 | C55 | C59 | O58 | 176.7° | 176.8° |
| C56 | C55 | C59 | H59 | 62.4° | 62.9° |
| C56 | C55 | O57 | H57 | 180.0° | 179.7° |
| C55 | C56 | C60 | H60 | 65.2° | 55.0° |
| C55 | C56 | C60 | H7P | 55.1° | 65.0° |
| O31 | C7 | C4 | H7 | 119.3° | 120.0° |
| O31 | C7 | C4 | N20 | 177.2° | 177.5° |
| O31 | C7 | C4 | C6 | 62.1° | 57.6° |
| C7 | O31 | C22 | N13 | 177.2° | 178.8° |
| C7 | O31 | C22 | C12 | 61.8° | 61.2° |
| O31 | C7 | C4 | H4 | 56.2° | 62.3° |
| O31 | C7 | C47 | H7N | 179.1° | 174.9° |
| O31 | C7 | C47 | H47 | 59.3° | 55.0° |
| C7 | O31 | C22 | H22 | 56.8° | 58.8° |
| C4 | C7 | O31 | C22 | 62.3° | 61.2° |
| C7 | C4 | N20 | C17 | 117.7° | 84.6° |
| C7 | C4 | N20 | C6 | 120.8° | 119.6° |
| C7 | C4 | N20 | H4 | 120.5° | 120.2° |
| C7 | C4 | N20 | N9 | 63.2° | 95.1° |
| C7 | C4 | C6 | H4 | 118.2° | 120.0° |
| C7 | C4 | C6 | C12 | 60.4° | 57.0° |
| C7 | C4 | C6 | O45 | 179.3° | 176.9° |
| C4 | C7 | C47 | H7N | 60.6° | 55.0° |
| C4 | C7 | C47 | H47 | 179.5° | 64.9° |
| C7 | C4 | C6 | H6 | 59.2° | 62.9° |
| O53 | C52 | C62 | H52 | 119.6° | 120.0° |
| O53 | C52 | C62 | C59 | 179.2° | 177.6° |
| O53 | C52 | C62 | O63 | 60.0° | 62.5° |
| O53 | C52 | C62 | H62 | 60.9° | 57.6° |
| C52 | O53 | C51 | H51 | 55.8° | 60.0° |
| C52 | O53 | C51 | H7O | 64.5° | 60.0° |
| O31 | C22 | N13 | N18 | 99.3° | 64.7° |
| O31 | C22 | N13 | C12 | 122.2° | 120.0° |
| O31 | C22 | N13 | H22 | 120.6° | 120.1° |
| O31 | C22 | C12 | H22 | 119.2° | 120.1° |
| O31 | C22 | N13 | C29 | 80.9° | 115.0° |
| O31 | C22 | C12 | C6 | 59.9° | 57.6° |
| O31 | C22 | C12 | O46 | 178.9° | 177.5° |
| C22 | O31 | C7 | H7 | 56.3° | 58.8° |
| O31 | C22 | C12 | H12 | 59.8° | 62.3° |
| C52 | C62 | C59 | C55 | 57.6° | 57.0° |
| C52 | C62 | C59 | O63 | 118.1° | 119.9° |
| C52 | C62 | C59 | H62 | 120.0° | 120.0° |
| C52 | C62 | O63 | H62 | 120.1° | 120.2° |
| C52 | C62 | C59 | O58 | 177.7° | 176.8° |
| C52 | C62 | O63 | H63 | 180.0° | 60.3° |
| C52 | C62 | C59 | H59 | 61.5° | 63.0° |
| O77 | C71 | C72 | O76 | 63.6° | 63.2° |
| O77 | C71 | C72 | C70 | 120.4° | 119.9° |
| O77 | C71 | C72 | H71 | 120.4° | 120.3° |
| O77 | C71 | C72 | C75 | 177.7° | 176.9° |
| O77 | C71 | C70 | H71 | 120.6° | 120.2° |
| O77 | C71 | C70 | O73 | 55.7° | 57.0° |
| O77 | C71 | C70 | C66 | 176.4° | 176.9° |
| O77 | C71 | C70 | H70 | 65.1° | 63.2° |
| O77 | C71 | C72 | H72 | 57.8° | 57.0° |
| O76 | C72 | C71 | C75 | 118.7° | 119.9° |
| O76 | C72 | C71 | H72 | 121.4° | 120.2° |
| O76 | C72 | C75 | H72 | 121.2° | 120.3° |
| O76 | C72 | C71 | C70 | 176.1° | 176.9° |
| O76 | C72 | C75 | O67 | 60.1° | 62.5° |
| O76 | C72 | C75 | O68 | 178.1° | 177.5° |
| O76 | C72 | C75 | H75 | 58.6° | 57.5° |
| O76 | C72 | C71 | H71 | 56.8° | 57.1° |
| C30 | C28 | C15 | H28 | 120.3° | 120.0° |
| C28 | C30 | C17 | N32 | 179.6° | 179.7° |
| C28 | C30 | C17 | N20 | 179.7° | 180.0° |
| C28 | C30 | N32 | N9 | 179.9° | 179.9° |
| C30 | C28 | C15 | C25 | 179.4° | 177.6° |
| C30 | C28 | C15 | O49 | 60.4° | 62.4° |
| C30 | C28 | C15 | H15 | 61.4° | 57.7° |
| C28 | C30 | C17 | H17 | 0.3° | 0.0° |
| C15 | C28 | C30 | C17 | 39.1° | 125.0° |
| C15 | C28 | C30 | N32 | 141.4° | 55.3° |
| C28 | C15 | C25 | O49 | 119.7° | 119.9° |
| C28 | C15 | C25 | H15 | 119.0° | 120.0° |
| C28 | C15 | C25 | O21 | 178.8° | 176.8° |
| C28 | C15 | O49 | H15 | 121.1° | 120.1° |
| C28 | C15 | C25 | H25 | 60.3° | 62.9° |
| C28 | C15 | O49 | H49 | 180.0° | 60.3° |
| C30 | C17 | N20 | H17 | 180.0° | 180.0° |
| C17 | C30 | N32 | N9 | 0.3° | 0.2° |
| C30 | C17 | N20 | C4 | 179.4° | 180.0° |
| C30 | C17 | N20 | N9 | 0.1° | 0.2° |
| C17 | C30 | C28 | H28 | 159.2° | 5.1° |
| N32 | C30 | C17 | N20 | 0.1° | 0.2° |
| C30 | N32 | N9 | N20 | 0.4° | 0.1° |
| N32 | C30 | C28 | H28 | 21.3° | 175.3° |
| N32 | C30 | C17 | H17 | 179.9° | 179.8° |
| C17 | N20 | N9 | N32 | 0.3° | 0.1° |
| C17 | N20 | C4 | N9 | 179.1° | 179.7° |
| C17 | N20 | C4 | C6 | 121.5° | 35.0° |
| C17 | N20 | C4 | H4 | 2.8° | 155.1° |
| O1 | C19 | C14 | H19 | 120.8° | 120.0° |
| C19 | O1 | C2 | C8 | 170.6° | 178.9° |
| O1 | C19 | C14 | N10 | 171.7° | 177.5° |
| O1 | C19 | C14 | C36 | 64.3° | 57.6° |
| C19 | O1 | C2 | C34 | 55.1° | 61.2° |
| C19 | O1 | C2 | H2 | 67.6° | 58.8° |
| O1 | C19 | C23 | H7L | 52.7° | 175.0° |
| O1 | C19 | C23 | H23 | 67.0° | 55.0° |
| O1 | C19 | C14 | H14 | 51.2° | 62.4° |
| C2 | O1 | C19 | C14 | 59.6° | 61.2° |
| O1 | C2 | C8 | N16 | 71.9° | 65.0° |
| O1 | C2 | C8 | C29 | 109.6° | 115.1° |
| O1 | C2 | C8 | C34 | 119.7° | 119.9° |
| O1 | C2 | C8 | H2 | 122.4° | 120.0° |
| O1 | C2 | C34 | H2 | 123.3° | 120.0° |
| O1 | C2 | C34 | C36 | 54.6° | 57.6° |
| O1 | C2 | C34 | O5 | 176.0° | 177.5° |
| O1 | C2 | C34 | H34 | 64.3° | 62.3° |
| C2 | O1 | C19 | H19 | 60.5° | 58.8° |
| N32 | N9 | N20 | C4 | 179.5° | 179.9° |
| N20 | C4 | C6 | H4 | 119.1° | 120.1° |
| N20 | C4 | C6 | C12 | 176.9° | 176.9° |
| N20 | C4 | C6 | O45 | 58.0° | 63.2° |
| C4 | N20 | C17 | H17 | 0.6° | 0.0° |
| N20 | C4 | C7 | H7 | 63.6° | 57.5° |
| N20 | C4 | C6 | H6 | 63.5° | 57.0° |
| N9 | N20 | C4 | C6 | 57.6° | 145.3° |
| N9 | N20 | C17 | H17 | 179.9° | 179.8° |
| N9 | N20 | C4 | H4 | 176.3° | 25.1° |
| C4 | C6 | C12 | C22 | 58.5° | 57.0° |
| C4 | C6 | C12 | O45 | 119.4° | 119.8° |
| C4 | C6 | C12 | H6 | 119.5° | 120.0° |
| C4 | C6 | O45 | H6 | 121.0° | 120.2° |
| C4 | C6 | C12 | O46 | 178.4° | 176.9° |
| C6 | C4 | C7 | H7 | 57.2° | 62.4° |
| C4 | C6 | O45 | H45 | 180.0° | 180.0° |
| C4 | C6 | C12 | H12 | 60.9° | 62.9° |
| C15 | C25 | O21 | H25 | 120.2° | 120.2° |
| C25 | C15 | O49 | H15 | 120.7° | 120.2° |
| C15 | C25 | C35 | H35 | 60.9° | 63.0° |
| C15 | C25 | O21 | H21 | 60.7° | 60.5° |
| C25 | C15 | O49 | H49 | 61.8° | 180.0° |
| C25 | C15 | C28 | H28 | 59.1° | 62.4° |
| O21 | C25 | C15 | O49 | 61.5° | 63.3° |
| O21 | C25 | C35 | H35 | 59.0° | 56.8° |
| O21 | C25 | C15 | H15 | 59.8° | 56.8° |
| C19 | C14 | N10 | C42 | 121.9° | 85.2° |
| C19 | C14 | N10 | C36 | 123.0° | 119.7° |
| C19 | C14 | N10 | H14 | 120.2° | 120.1° |
| C19 | C14 | C36 | H14 | 115.3° | 119.9° |
| C19 | C14 | N10 | N37 | 60.1° | 95.0° |
| C19 | C14 | C36 | C34 | 64.4° | 57.0° |
| C19 | C14 | C36 | O3 | 178.2° | 176.8° |
| C19 | C14 | C36 | H36 | 55.2° | 62.9° |
| C14 | C19 | C23 | H7L | 170.5° | 55.0° |
| C14 | C19 | C23 | H23 | 50.8° | 65.0° |
| N16 | N18 | N13 | C22 | 179.7° | 180.0° |
| N16 | N18 | N13 | C29 | 0.2° | 0.3° |
| N18 | N16 | C8 | C29 | 0.5° | 0.0° |
| N18 | N16 | C8 | C2 | 179.3° | 180.0° |
| N18 | N13 | C22 | C29 | 179.8° | 179.7° |
| N18 | N13 | C22 | C12 | 138.5° | 55.3° |
| N13 | N18 | N16 | C8 | 0.4° | 0.2° |
| N18 | N13 | C29 | C8 | 0.2° | 0.3° |
| N18 | N13 | C22 | H22 | 21.3° | 175.3° |
| N18 | N13 | C29 | H29 | 179.8° | 179.8° |
| N13 | C22 | C12 | H22 | 117.6° | 119.9° |
| C22 | N13 | C29 | C8 | 180.0° | 180.0° |
| N13 | C22 | C12 | C6 | 176.9° | 177.6° |
| N13 | C22 | C12 | O46 | 58.0° | 62.5° |
| N13 | C22 | C12 | H12 | 63.4° | 57.7° |
| C22 | N13 | C29 | H29 | 0.0° | 0.0° |
| C12 | C22 | N13 | C29 | 41.4° | 125.0° |
| C22 | C12 | C6 | O46 | 119.8° | 119.9° |
| C22 | C12 | C6 | H12 | 119.5° | 119.9° |
| C22 | C12 | C6 | O45 | 177.9° | 176.8° |
| C22 | C12 | O46 | H12 | 120.7° | 120.2° |
| C22 | C12 | C6 | H6 | 60.9° | 63.0° |
| C22 | C12 | O46 | H46 | 180.0° | 60.3° |
| O49 | C15 | C25 | H25 | 59.4° | 57.0° |
| O49 | C15 | C28 | H28 | 59.9° | 57.5° |
| C71 | C72 | C75 | H72 | 120.0° | 119.8° |
| C72 | C71 | C70 | H71 | 119.2° | 119.8° |
| C72 | C71 | C70 | O73 | 64.5° | 63.0° |
| C71 | C72 | C75 | O67 | 178.9° | 177.5° |
| C71 | C72 | C75 | O68 | 59.3° | 57.6° |
| C72 | C71 | C70 | C66 | 56.3° | 56.9° |
| C71 | C72 | C75 | H75 | 60.2° | 62.4° |
| C72 | C71 | C70 | H70 | 174.8° | 176.8° |
| C72 | C71 | O77 | H77 | 180.0° | 60.4° |
| C71 | C72 | O76 | H76 | 180.0° | 180.0° |
| C75 | C72 | C71 | C70 | 57.3° | 57.0° |
| C72 | C75 | O67 | O68 | 121.2° | 120.0° |
| C72 | C75 | O67 | H75 | 118.2° | 120.1° |
| C72 | C75 | O67 | C69 | 168.3° | 175.0° |
| C72 | C75 | O68 | H75 | 118.8° | 120.0° |
| C72 | C75 | O68 | C66 | 61.4° | 61.1° |
| C75 | C72 | C71 | H71 | 61.9° | 62.8° |
| C75 | C72 | O76 | H76 | 61.2° | 60.3° |
| N16 | C8 | C29 | N13 | 0.4° | 0.2° |
| N16 | C8 | C29 | C2 | 178.6° | 180.0° |
| N16 | C8 | C2 | C34 | 47.7° | 55.0° |
| N16 | C8 | C29 | H29 | 179.6° | 179.8° |
| N16 | C8 | C2 | H2 | 165.7° | 175.0° |
| O57 | C55 | C59 | H55 | 120.7° | 120.1° |
| O57 | C55 | C59 | C62 | 64.3° | 63.0° |
| O57 | C55 | C59 | O58 | 55.8° | 56.9° |
| O57 | C55 | C59 | H59 | 176.6° | 177.2° |
| O57 | C55 | C56 | H56 | 178.7° | 177.7° |
| C55 | C59 | C62 | O58 | 120.1° | 119.9° |
| C55 | C59 | C62 | H59 | 119.1° | 119.9° |
| C55 | C59 | C62 | O63 | 175.7° | 176.9° |
| C55 | C59 | O58 | H59 | 120.2° | 120.3° |
| C55 | C59 | C62 | H62 | 62.4° | 63.0° |
| C55 | C59 | O58 | H58 | 180.0° | 179.6° |
| C59 | C55 | O57 | H57 | 60.6° | 60.0° |
| C59 | C55 | C56 | H56 | 61.1° | 62.3° |
| N13 | C29 | C8 | H29 | 180.0° | 180.0° |
| N13 | C29 | C8 | C2 | 179.0° | 179.9° |
| C29 | N13 | C22 | H22 | 158.6° | 5.1° |
| C71 | C70 | O73 | C66 | 120.0° | 119.7° |
| C71 | C70 | O73 | H70 | 120.1° | 120.2° |
| C71 | C70 | C66 | H70 | 118.6° | 119.9° |
| C71 | C70 | C66 | O68 | 57.6° | 57.6° |
| C71 | C70 | C66 | C78 | 177.9° | 177.6° |
| C71 | C70 | C66 | H66 | 63.5° | 62.4° |
| C71 | C70 | O73 | H73 | 180.0° | 60.3° |
| C70 | C71 | O77 | H77 | 59.6° | 180.0° |
| C70 | C71 | C72 | H72 | 62.6° | 62.9° |
| C41 | C80 | C79 | H81 | 120.2° | 120.0° |
| C41 | C80 | C79 | H80 | 120.2° | 120.0° |
| C80 | C41 | C42 | N38 | 179.8° | 179.8° |
| C80 | C41 | C42 | N10 | 179.5° | 180.0° |
| C80 | C41 | N38 | N37 | 179.9° | 179.9° |
| C41 | C80 | C79 | C69 | 52.5° | 180.0° |
| C80 | C41 | C42 | H42 | 0.5° | 0.0° |
| C41 | C80 | H81 | H80 | 119.3° | 120.0° |
| C41 | C80 | C79 | H8A | 173.0° | 60.0° |
| C41 | C80 | C79 | H8B | 68.0° | 60.0° |
| C79 | C80 | C41 | C42 | 93.0° | 125.0° |
| C79 | C80 | C41 | N38 | 87.3° | 54.8° |
| C80 | C79 | C69 | O67 | 54.0° | 180.0° |
| C80 | C79 | C69 | H8A | 120.5° | 120.0° |
| C80 | C79 | C69 | H8B | 120.5° | 120.0° |
| C79 | C80 | H81 | H80 | 119.2° | 120.0° |
| C80 | C79 | H8A | H8B | 118.5° | 120.0° |
| C80 | C79 | C69 | H69 | 65.4° | 60.0° |
| C80 | C79 | C69 | H7S | 173.4° | 60.0° |
| C29 | C8 | C2 | C34 | 130.7° | 125.0° |
| C29 | C8 | C2 | H2 | 12.8° | 4.9° |
| C8 | C2 | C34 | H2 | 118.0° | 120.0° |
| C8 | C2 | C34 | C36 | 173.2° | 177.5° |
| C8 | C2 | C34 | O5 | 65.4° | 62.5° |
| C2 | C8 | C29 | H29 | 0.9° | 0.1° |
| C8 | C2 | C34 | H34 | 54.3° | 57.7° |
| C41 | C42 | N10 | H42 | 180.0° | 180.0° |
| C41 | C42 | N10 | C14 | 179.2° | 180.0° |
| C41 | C42 | N10 | N37 | 0.6° | 0.2° |
| C42 | C41 | N38 | N37 | 0.1° | 0.0° |
| C42 | C41 | C80 | H81 | 27.3° | 115.0° |
| C42 | C41 | C80 | H80 | 146.8° | 5.0° |
| C42 | N10 | C14 | N37 | 178.1° | 179.8° |
| C42 | N10 | C14 | C36 | 115.2° | 34.4° |
| N10 | C42 | C41 | N38 | 0.3° | 0.2° |
| C42 | N10 | N37 | N38 | 0.7° | 0.2° |
| C42 | N10 | C14 | H14 | 1.7° | 154.6° |
| C59 | C62 | O63 | H62 | 121.2° | 120.1° |
| C62 | C59 | O58 | H59 | 120.2° | 120.2° |
| C59 | C62 | O63 | H63 | 61.2° | 180.0° |
| C62 | C59 | O58 | H58 | 60.3° | 60.0° |
| C62 | C59 | C55 | H55 | 175.0° | 176.9° |
| C59 | C62 | C52 | H52 | 59.6° | 62.4° |
| O63 | C62 | C59 | O58 | 64.2° | 63.2° |
| O63 | C62 | C59 | H59 | 56.6° | 57.0° |
| O63 | C62 | C52 | H52 | 59.6° | 57.5° |
| N10 | C14 | C36 | H14 | 117.2° | 120.1° |
| C14 | N10 | N37 | N38 | 178.9° | 180.0° |
| N10 | C14 | C36 | C34 | 168.0° | 176.9° |
| N10 | C14 | C36 | O3 | 50.7° | 63.3° |
| N10 | C14 | C36 | H36 | 72.4° | 57.0° |
| N10 | C14 | C19 | H19 | 67.5° | 57.5° |
| C14 | N10 | C42 | H42 | 0.8° | 0.0° |
| C14 | C36 | C34 | C2 | 59.3° | 57.0° |
| C36 | C14 | N10 | N37 | 62.9° | 145.3° |
| C14 | C36 | C34 | O3 | 118.4° | 119.9° |
| C14 | C36 | C34 | H36 | 119.4° | 120.0° |
| C14 | C36 | C34 | O5 | 179.0° | 176.9° |
| C14 | C36 | O3 | H36 | 122.4° | 120.3° |
| C14 | C36 | C34 | H34 | 59.4° | 62.9° |
| C14 | C36 | O3 | H3 | 180.0° | 179.6° |
| C36 | C14 | C19 | H19 | 56.6° | 62.4° |
| O73 | C70 | C66 | H70 | 120.7° | 120.1° |
| O73 | C70 | C66 | O68 | 63.2° | 62.4° |
| O73 | C70 | C66 | C78 | 57.1° | 57.6° |
| O73 | C70 | C66 | H66 | 175.7° | 177.6° |
| O73 | C70 | C71 | H71 | 176.3° | 177.2° |
| C41 | N38 | N37 | N10 | 0.5° | 0.1° |
| N38 | C41 | C42 | H42 | 179.7° | 179.8° |
| N38 | C41 | C80 | H81 | 152.4° | 65.2° |
| N38 | C41 | C80 | H80 | 32.9° | 174.8° |
| C2 | C34 | C36 | O5 | 121.8° | 119.9° |
| C2 | C34 | C36 | H34 | 118.7° | 119.9° |
| C2 | C34 | O5 | H34 | 119.0° | 120.2° |
| C2 | C34 | C36 | O3 | 177.7° | 176.9° |
| C2 | C34 | O5 | H53 | 180.0° | 60.1° |
| C2 | C34 | C36 | H36 | 60.2° | 63.0° |
| O58 | C59 | C62 | H62 | 57.7° | 56.9° |
| O58 | C59 | C55 | H55 | 64.9° | 63.2° |
| N37 | N10 | C14 | H14 | 179.8° | 25.1° |
| N37 | N10 | C42 | H42 | 179.4° | 179.8° |
| O67 | C75 | O68 | H75 | 120.5° | 120.0° |
| C75 | O67 | C69 | C79 | 171.4° | 180.0° |
| O67 | C75 | O68 | C66 | 177.8° | 178.9° |
| C75 | O67 | C69 | H69 | 52.0° | 60.1° |
| C75 | O67 | C69 | H7S | 69.2° | 60.0° |
| O67 | C75 | C72 | H72 | 61.1° | 57.7° |
| C69 | O67 | C75 | O68 | 70.4° | 65.0° |
| O67 | C69 | C79 | H69 | 119.4° | 120.0° |
| O67 | C69 | C79 | H7S | 119.4° | 120.1° |
| O67 | C69 | C79 | H8A | 66.5° | 60.0° |
| O67 | C69 | C79 | H8B | 174.5° | 60.0° |
| O67 | C69 | H69 | H7S | 121.7° | 120.1° |
| C69 | O67 | C75 | H75 | 50.1° | 54.9° |
| C12 | C6 | O45 | H6 | 120.7° | 120.2° |
| C6 | C12 | O46 | H12 | 120.2° | 120.2° |
| C12 | C6 | C4 | H4 | 57.8° | 62.9° |
| C12 | C6 | O45 | H45 | 61.7° | 60.4° |
| C6 | C12 | O46 | H46 | 61.0° | 180.0° |
| C6 | C12 | C22 | H22 | 59.3° | 62.4° |
| O45 | C6 | C12 | O46 | 62.2° | 63.3° |
| O45 | C6 | C4 | H4 | 61.1° | 56.9° |
| O45 | C6 | C12 | H12 | 58.5° | 56.9° |
| O46 | C12 | C6 | H6 | 58.9° | 56.9° |
| O46 | C12 | C22 | H22 | 59.6° | 57.5° |
| C75 | O68 | C66 | C70 | 60.9° | 61.1° |
| C75 | O68 | C66 | C78 | 179.1° | 178.9° |
| C75 | O68 | C66 | H66 | 59.6° | 58.8° |
| O68 | C75 | C72 | H72 | 60.6° | 62.2° |
| C70 | C66 | O68 | C78 | 120.0° | 120.0° |
| C70 | C66 | O68 | H66 | 120.5° | 119.9° |
| C70 | C66 | C78 | H66 | 118.6° | 120.0° |
| C70 | C66 | C78 | O74 | 174.1° | 175.0° |
| C70 | C66 | C78 | H78 | 54.0° | 55.1° |
| C70 | C66 | C78 | H79 | 65.9° | 65.0° |
| C66 | C70 | O73 | H73 | 60.0° | 180.0° |
| C66 | C70 | C71 | H71 | 63.0° | 62.9° |
| C69 | C79 | C80 | H81 | 67.7° | 60.0° |
| C69 | C79 | C80 | H80 | 172.8° | 60.0° |
| C69 | C79 | H8A | H8B | 118.5° | 120.0° |
| C79 | C69 | H69 | H7S | 121.7° | 120.0° |
| C36 | C34 | O5 | H34 | 119.1° | 120.2° |
| C34 | C36 | O3 | H36 | 121.5° | 120.1° |
| C36 | C34 | C2 | H2 | 68.8° | 62.4° |
| C36 | C34 | O5 | H53 | 58.1° | 179.7° |
| C34 | C36 | O3 | H3 | 63.9° | 60.0° |
| C34 | C36 | C14 | H14 | 50.9° | 63.0° |
| O5 | C34 | C36 | O3 | 60.5° | 63.2° |
| O5 | C34 | C2 | H2 | 52.7° | 57.5° |
| O5 | C34 | C36 | H36 | 61.6° | 56.9° |
| O3 | C36 | C34 | H34 | 59.0° | 57.0° |
| O3 | C36 | C14 | H14 | 66.5° | 56.9° |
| O68 | C66 | C78 | H66 | 120.2° | 120.1° |
| O68 | C66 | C78 | O74 | 64.8° | 65.0° |
| C66 | O68 | C75 | H75 | 57.4° | 58.9° |
| O68 | C66 | C78 | H78 | 175.1° | 175.0° |
| O68 | C66 | C78 | H79 | 55.3° | 55.0° |
| O68 | C66 | C70 | H70 | 176.1° | 177.5° |
| C66 | C78 | O74 | H78 | 120.1° | 119.9° |
| C66 | C78 | O74 | H79 | 120.1° | 120.0° |
| C66 | C78 | H78 | H79 | 119.8° | 120.0° |
| C66 | C78 | O74 | H74 | 180.0° | 180.0° |
| C78 | C66 | C70 | H70 | 63.5° | 62.5° |
| O74 | C78 | C66 | H66 | 55.4° | 55.1° |
| O74 | C78 | H78 | H79 | 119.8° | 120.1° |
| H63 | O63 | C62 | H62 | 60.0° | 59.9° |
| H62 | C62 | C59 | H59 | 178.5° | 177.1° |
| H62 | C62 | C52 | H52 | 179.5° | 177.7° |
| H59 | C59 | O58 | H58 | 59.8° | 60.1° |
| H59 | C59 | C55 | H55 | 55.9° | 57.0° |
| H55 | C55 | O57 | H57 | 59.5° | 60.1° |
| H55 | C55 | C56 | H56 | 57.4° | 57.5° |
| H56 | C56 | C60 | H60 | 175.2° | 65.1° |
| H56 | C56 | C60 | H7P | 64.5° | 175.0° |
| H60 | C60 | O61 | H61 | 60.2° | 60.1° |
| H7P | C60 | O61 | H61 | 60.1° | 60.0° |
| H51 | C51 | C64 | H7Q | 61.5° | 180.0° |
| H51 | C51 | C64 | H64 | 58.6° | 60.0° |
| H7O | C51 | C64 | H7Q | 58.8° | 60.0° |
| H7O | C51 | C64 | H64 | 178.9° | 180.0° |
| H7Q | C64 | C65 | H7R | 169.0° | 180.0° |
| H7Q | C64 | C65 | H65 | 48.9° | 60.0° |
| H64 | C64 | C65 | H7R | 70.8° | 60.0° |
| H64 | C64 | C65 | H65 | 169.0° | 180.0° |
| H35 | C35 | C24 | H24 | 179.7° | 177.6° |
| H35 | C35 | C25 | H25 | 179.8° | 177.1° |
| H24 | C24 | C26 | H7M | 56.7° | 64.9° |
| H24 | C24 | C26 | H26 | 63.2° | 175.0° |
| H7M | C26 | O50 | H50 | 59.9° | 60.0° |
| H26 | C26 | O50 | H50 | 60.0° | 60.0° |
| H25 | C25 | O21 | H21 | 59.5° | 59.7° |
| H25 | C25 | C15 | H15 | 179.4° | 177.1° |
| H15 | C15 | O49 | H49 | 58.9° | 59.8° |
| H15 | C15 | C28 | H28 | 178.3° | 177.6° |
| H4 | C4 | C7 | H7 | 175.5° | 177.7° |
| H4 | C4 | C6 | H6 | 177.4° | 177.1° |
| H7 | C7 | C47 | H7N | 58.4° | 65.0° |
| H7 | C7 | C47 | H47 | 61.4° | 175.0° |
| H7N | C47 | O48 | H48 | 60.0° | 59.9° |
| H47 | C47 | O48 | H48 | 59.9° | 60.1° |
| H6 | C6 | O45 | H45 | 59.0° | 59.8° |
| H6 | C6 | C12 | H12 | 179.6° | 177.1° |
| H12 | C12 | O46 | H46 | 59.3° | 59.8° |
| H12 | C12 | C22 | H22 | 179.0° | 177.6° |
| H2 | C2 | C34 | H34 | 172.3° | 177.7° |
| H34 | C34 | O5 | H53 | 61.0° | 60.1° |
| H34 | C34 | C36 | H36 | 178.9° | 177.1° |
| H36 | C36 | O3 | H3 | 57.6° | 60.1° |
| H36 | C36 | C14 | H14 | 170.5° | 177.1° |
| H19 | C19 | C23 | H7L | 67.5° | 65.0° |
| H19 | C19 | C23 | H23 | 172.7° | 175.0° |
| H19 | C19 | C14 | H14 | 172.0° | 177.7° |
| H7L | C23 | O11 | H11 | 59.9° | 60.0° |
| H23 | C23 | O11 | H11 | 59.9° | 60.0° |
| H81 | C80 | C79 | H8A | 52.7° | 180.0° |
| H81 | C80 | C79 | H8B | 171.8° | 60.0° |
| H80 | C80 | C79 | H8A | 66.8° | 60.0° |
| H80 | C80 | C79 | H8B | 52.3° | 180.0° |
| H8A | C79 | C69 | H69 | 174.1° | 180.0° |
| H8A | C79 | C69 | H7S | 53.0° | 60.0° |
| H8B | C79 | C69 | H69 | 55.0° | 60.0° |
| H8B | C79 | C69 | H7S | 66.1° | 179.9° |
| H75 | C75 | C72 | H72 | 179.9° | 177.8° |
| H66 | C66 | C78 | H78 | 64.6° | 64.9° |
| H66 | C66 | C78 | H79 | 175.5° | 175.0° |
| H66 | C66 | C70 | H70 | 55.0° | 57.5° |
| H78 | C78 | O74 | H74 | 59.9° | 60.0° |
| H79 | C78 | O74 | H74 | 59.9° | 60.1° |
| H70 | C70 | O73 | H73 | 60.0° | 59.9° |
| H70 | C70 | C71 | H71 | 55.5° | 57.0° |
| H71 | C71 | O77 | H77 | 60.3° | 59.9° |
| H71 | C71 | C72 | H72 | 178.2° | 177.3° |
| H72 | C72 | O76 | H76 | 59.3° | 59.9° |
