HZD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C50 | C51 | doub | 1.39Å | 1.43Å | Aromatic |
| C50 | C49 | sing | 1.36Å | 1.41Å | Aromatic |
| C51 | C52 | sing | 1.36Å | 1.41Å | Aromatic |
| C49 | C48 | doub | 1.41Å | 1.40Å | Aromatic |
| C52 | C47 | doub | 1.40Å | 1.40Å | Aromatic |
| C48 | C47 | sing | 1.42Å | 1.42Å | Aromatic |
| C48 | N02 | sing | 1.34Å | 1.50Å | Aromatic |
| C47 | C05 | sing | 1.41Å | 1.52Å | Aromatic |
| C01 | N02 | sing | 1.46Å | 1.49Å | |
| N02 | C03 | doub | 1.31Å | 1.45Å | Aromatic |
| C05 | C06 | sing | 1.51Å | 1.36Å | |
| C05 | C04 | doub | 1.37Å | 1.47Å | Aromatic |
| C06 | C07 | sing | 1.51Å | 1.54Å | |
| C09 | N08 | sing | 1.46Å | 1.48Å | |
| C09 | C10 | sing | 1.51Å | 1.52Å | |
| C03 | C04 | sing | 1.39Å | 1.48Å | Aromatic |
| C07 | N08 | doub | 1.28Å | 1.39Å | Aromatic |
| C07 | S42 | sing | 1.71Å | 1.69Å | Aromatic |
| O11 | C10 | doub | 1.21Å | 1.19Å | |
| N08 | C40 | sing | 1.35Å | 1.43Å | Aromatic |
| C10 | N12 | sing | 1.35Å | 1.45Å | |
| S42 | C41 | sing | 1.76Å | 1.68Å | Aromatic |
| C40 | C46 | doub | 1.41Å | 1.42Å | Aromatic |
| C40 | C41 | sing | 1.40Å | 1.39Å | Aromatic |
| C46 | C45 | sing | 1.36Å | 1.39Å | Aromatic |
| C41 | C43 | doub | 1.39Å | 1.40Å | Aromatic |
| N12 | C13 | sing | 1.47Å | 1.47Å | |
| C45 | C44 | doub | 1.39Å | 1.40Å | Aromatic |
| C43 | C44 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| O15 | C14 | sing | 1.43Å | 1.42Å | |
| O15 | C16 | sing | 1.43Å | 1.44Å | |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| C23 | N24 | sing | 1.47Å | 1.46Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| O18 | C17 | sing | 1.43Å | 1.41Å | |
| O18 | C19 | sing | 1.43Å | 1.40Å | |
| C22 | O21 | sing | 1.43Å | 1.40Å | |
| O21 | C20 | sing | 1.43Å | 1.40Å | |
| N24 | C25 | sing | 1.35Å | 1.47Å | |
| C20 | C19 | sing | 1.53Å | 1.51Å | |
| O26 | C25 | doub | 1.21Å | 1.19Å | |
| C25 | C27 | sing | 1.51Å | 1.55Å | |
| C28 | C27 | sing | 1.53Å | 1.56Å | |
| C28 | C29 | sing | 1.53Å | 1.55Å | |
| C29 | C30 | sing | 1.53Å | 1.57Å | |
| C30 | C31 | sing | 1.53Å | 1.63Å | |
| C31 | S32 | sing | 1.84Å | 1.71Å | |
| C31 | C39 | sing | 1.54Å | 1.46Å | |
| S32 | C33 | sing | 1.84Å | 1.49Å | |
| C39 | N38 | sing | 1.47Å | 1.36Å | |
| C39 | C34 | sing | 1.53Å | 1.68Å | |
| N38 | C36 | sing | 1.34Å | 1.50Å | |
| C33 | C34 | sing | 1.54Å | 1.64Å | |
| C34 | N35 | sing | 1.47Å | 1.29Å | |
| C36 | O37 | doub | 1.22Å | 1.19Å | |
| C36 | N35 | sing | 1.34Å | 1.60Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.08Å | 1.08Å | |
| C04 | H5 | sing | 1.08Å | 1.08Å | |
| C06 | H6 | sing | 1.09Å | 1.10Å | |
| C06 | H7 | sing | 1.09Å | 1.10Å | |
| C09 | H8 | sing | 1.09Å | 1.10Å | |
| C09 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | 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 | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H30 | sing | 1.09Å | 1.10Å | |
| C29 | H31 | sing | 1.09Å | 1.10Å | |
| C30 | H32 | sing | 1.09Å | 1.10Å | |
| C30 | H33 | sing | 1.09Å | 1.10Å | |
| C31 | H34 | sing | 1.09Å | 1.10Å | |
| C33 | H35 | sing | 1.09Å | 1.10Å | |
| C33 | H36 | sing | 1.09Å | 1.10Å | |
| C34 | H37 | sing | 1.09Å | 1.10Å | |
| C39 | H38 | sing | 1.09Å | 1.10Å | |
| C43 | H39 | sing | 1.08Å | 1.08Å | |
| C44 | H40 | sing | 1.08Å | 1.08Å | |
| C45 | H41 | sing | 1.08Å | 1.08Å | |
| C46 | H42 | sing | 1.08Å | 1.08Å | |
| C49 | H43 | sing | 1.08Å | 1.08Å | |
| C50 | H44 | sing | 1.08Å | 1.08Å | |
| C51 | H45 | sing | 1.08Å | 1.08Å | |
| C52 | H46 | sing | 1.08Å | 1.08Å | |
| N12 | H47 | sing | 0.97Å | 1.00Å | |
| N24 | H48 | sing | 0.97Å | 1.00Å | |
| N35 | H49 | sing | 0.97Å | 1.00Å | |
| N38 | H50 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C51 | C50 | C49 | 118.2° | 121.1° |
| C50 | C51 | C52 | 120.2° | 120.9° |
| C51 | C50 | H44 | 120.9° | 119.5° |
| C50 | C51 | H45 | 119.9° | 119.6° |
| C50 | C49 | C48 | 121.6° | 119.8° |
| C50 | C49 | H43 | 119.2° | 120.1° |
| C49 | C50 | H44 | 120.9° | 119.4° |
| C51 | C52 | C47 | 120.9° | 119.7° |
| C52 | C51 | H45 | 119.9° | 119.6° |
| C51 | C52 | H46 | 119.5° | 120.2° |
| C49 | C48 | C47 | 120.1° | 119.0° |
| C49 | C48 | N02 | 120.1° | 121.1° |
| C48 | C49 | H43 | 119.2° | 120.1° |
| C52 | C47 | C48 | 119.0° | 119.6° |
| C52 | C47 | C05 | 120.4° | 121.4° |
| C47 | C52 | H46 | 119.6° | 120.1° |
| C47 | C48 | N02 | 119.8° | 119.9° |
| C48 | C47 | C05 | 120.6° | 118.9° |
| C48 | N02 | C01 | 119.3° | 119.4° |
| C48 | N02 | C03 | 120.9° | 121.3° |
| C47 | C05 | C06 | 117.0° | 120.9° |
| C47 | C05 | C04 | 118.7° | 118.2° |
| C01 | N02 | C03 | 119.8° | 119.4° |
| N02 | C01 | H1 | 109.5° | 109.5° |
| N02 | C01 | H2 | 109.5° | 109.5° |
| N02 | C01 | H3 | 109.5° | 109.5° |
| N02 | C03 | C04 | 119.4° | 121.8° |
| N02 | C03 | H4 | 120.3° | 119.1° |
| C06 | C05 | C04 | 124.2° | 120.9° |
| C05 | C06 | C07 | 123.8° | 109.4° |
| C05 | C06 | H6 | 105.8° | 109.5° |
| C05 | C06 | H7 | 105.8° | 109.5° |
| C05 | C04 | C03 | 120.5° | 119.9° |
| C05 | C04 | H5 | 119.7° | 120.0° |
| C06 | C07 | N08 | 120.7° | 124.2° |
| C06 | C07 | S42 | 128.1° | 124.2° |
| C07 | C06 | H6 | 105.8° | 109.5° |
| C07 | C06 | H7 | 105.8° | 109.4° |
| N08 | C09 | C10 | 118.7° | 109.5° |
| C09 | N08 | C07 | 125.0° | 121.1° |
| C09 | N08 | C40 | 125.6° | 121.0° |
| N08 | C09 | H8 | 107.1° | 109.5° |
| N08 | C09 | H9 | 107.1° | 109.5° |
| C09 | C10 | O11 | 119.8° | 120.0° |
| C09 | C10 | N12 | 116.3° | 120.0° |
| C10 | C09 | H8 | 107.1° | 109.5° |
| C10 | C09 | H9 | 107.1° | 109.4° |
| C04 | C03 | H4 | 120.3° | 119.1° |
| C03 | C04 | H5 | 119.7° | 120.1° |
| N08 | C07 | S42 | 111.2° | 111.6° |
| C07 | N08 | C40 | 109.3° | 117.9° |
| C07 | S42 | C41 | 95.6° | 90.8° |
| O11 | C10 | N12 | 123.9° | 120.1° |
| N08 | C40 | C46 | 121.8° | 129.7° |
| N08 | C40 | C41 | 116.2° | 111.8° |
| C10 | N12 | C13 | 121.5° | 120.0° |
| C10 | N12 | H47 | 119.3° | 120.0° |
| S42 | C41 | C40 | 107.7° | 108.0° |
| S42 | C41 | C43 | 132.6° | 131.7° |
| C46 | C40 | C41 | 122.0° | 118.5° |
| C40 | C46 | C45 | 117.3° | 120.5° |
| C40 | C46 | H42 | 121.3° | 119.8° |
| C40 | C41 | C43 | 119.7° | 120.3° |
| C46 | C45 | C44 | 121.4° | 120.8° |
| C46 | C45 | H41 | 119.3° | 119.6° |
| C45 | C46 | H42 | 121.3° | 119.7° |
| C41 | C43 | C44 | 119.3° | 120.0° |
| C41 | C43 | H39 | 120.3° | 120.0° |
| N12 | C13 | C14 | 107.9° | 109.5° |
| N12 | C13 | H10 | 109.9° | 109.4° |
| N12 | C13 | H11 | 109.9° | 109.4° |
| C13 | N12 | H47 | 119.3° | 120.0° |
| C45 | C44 | C43 | 120.3° | 120.0° |
| C45 | C44 | H40 | 119.8° | 120.0° |
| C44 | C45 | H41 | 119.3° | 119.6° |
| C44 | C43 | H39 | 120.4° | 120.0° |
| C43 | C44 | H40 | 119.8° | 120.0° |
| C13 | C14 | O15 | 107.2° | 109.4° |
| C14 | C13 | H10 | 109.8° | 109.5° |
| C14 | C13 | H11 | 109.8° | 109.5° |
| C13 | C14 | H12 | 110.0° | 109.4° |
| C13 | C14 | H13 | 110.0° | 109.5° |
| C14 | O15 | C16 | 111.8° | 114.0° |
| O15 | C14 | H12 | 110.0° | 109.5° |
| O15 | C14 | H13 | 110.0° | 109.5° |
| O15 | C16 | C17 | 109.6° | 109.4° |
| O15 | C16 | H14 | 109.4° | 109.5° |
| O15 | C16 | H15 | 109.5° | 109.5° |
| C22 | C23 | N24 | 107.7° | 109.4° |
| C23 | C22 | O21 | 106.8° | 109.5° |
| C23 | C22 | H22 | 110.1° | 109.4° |
| C23 | C22 | H23 | 110.1° | 109.5° |
| C22 | C23 | H24 | 109.9° | 109.5° |
| C22 | C23 | H25 | 109.9° | 109.5° |
| C23 | N24 | C25 | 121.7° | 120.0° |
| N24 | C23 | H24 | 109.9° | 109.5° |
| N24 | C23 | H25 | 109.9° | 109.5° |
| C23 | N24 | H48 | 119.1° | 120.0° |
| C16 | C17 | O18 | 110.5° | 109.4° |
| C17 | C16 | H14 | 109.4° | 109.4° |
| C17 | C16 | H15 | 109.4° | 109.5° |
| C16 | C17 | H16 | 109.2° | 109.4° |
| C16 | C17 | H17 | 109.2° | 109.5° |
| C17 | O18 | C19 | 113.0° | 114.0° |
| O18 | C17 | H16 | 109.2° | 109.5° |
| O18 | C17 | H17 | 109.2° | 109.5° |
| O18 | C19 | C20 | 106.6° | 109.5° |
| O18 | C19 | H18 | 110.1° | 109.4° |
| O18 | C19 | H19 | 110.2° | 109.5° |
| C22 | O21 | C20 | 111.5° | 114.0° |
| O21 | C22 | H22 | 110.1° | 109.5° |
| O21 | C22 | H23 | 110.1° | 109.5° |
| O21 | C20 | C19 | 106.0° | 109.4° |
| O21 | C20 | H20 | 110.3° | 109.4° |
| O21 | C20 | H21 | 110.3° | 109.5° |
| N24 | C25 | O26 | 121.6° | 120.0° |
| N24 | C25 | C27 | 117.5° | 120.0° |
| C25 | N24 | H48 | 119.1° | 120.0° |
| C20 | C19 | H18 | 110.2° | 109.4° |
| C20 | C19 | H19 | 110.2° | 109.5° |
| C19 | C20 | H20 | 110.3° | 109.5° |
| C19 | C20 | H21 | 110.3° | 109.5° |
| O26 | C25 | C27 | 120.9° | 119.9° |
| C25 | C27 | C28 | 113.8° | 109.5° |
| C25 | C27 | H26 | 108.4° | 109.5° |
| C25 | C27 | H27 | 108.4° | 109.4° |
| C27 | C28 | C29 | 106.8° | 109.5° |
| C28 | C27 | H26 | 108.4° | 109.4° |
| C28 | C27 | H27 | 108.4° | 109.5° |
| C27 | C28 | H28 | 110.2° | 109.4° |
| C27 | C28 | H29 | 110.1° | 109.5° |
| C28 | C29 | C30 | 116.1° | 109.5° |
| C29 | C28 | H28 | 110.1° | 109.4° |
| C29 | C28 | H29 | 110.1° | 109.5° |
| C28 | C29 | H30 | 107.8° | 109.5° |
| C28 | C29 | H31 | 107.8° | 109.5° |
| C29 | C30 | C31 | 116.0° | 109.5° |
| C30 | C29 | H30 | 107.8° | 109.4° |
| C30 | C29 | H31 | 107.8° | 109.4° |
| C29 | C30 | H32 | 107.8° | 109.5° |
| C29 | C30 | H33 | 107.8° | 109.5° |
| C30 | C31 | S32 | 107.7° | 110.8° |
| C30 | C31 | C39 | 116.4° | 110.8° |
| C31 | C30 | H32 | 107.8° | 109.4° |
| C31 | C30 | H33 | 107.8° | 109.5° |
| C30 | C31 | H34 | 108.5° | 110.6° |
| S32 | C31 | C39 | 105.7° | 102.8° |
| C31 | S32 | C33 | 104.6° | 94.8° |
| S32 | C31 | H34 | 107.6° | 110.7° |
| C31 | C39 | N38 | 115.5° | 109.2° |
| C31 | C39 | C34 | 105.8° | 112.3° |
| C39 | C31 | H34 | 110.6° | 110.9° |
| C31 | C39 | H38 | 109.7° | 110.3° |
| S32 | C33 | C34 | 105.5° | 102.7° |
| S32 | C33 | H35 | 110.4° | 110.8° |
| S32 | C33 | H36 | 110.5° | 110.9° |
| N38 | C39 | C34 | 107.1° | 104.0° |
| C39 | N38 | C36 | 108.8° | 109.1° |
| N38 | C39 | H38 | 111.2° | 110.2° |
| C39 | N38 | H50 | 125.6° | 125.5° |
| C39 | C34 | C33 | 105.4° | 112.4° |
| C39 | C34 | N35 | 108.9° | 104.0° |
| C39 | C34 | H37 | 108.8° | 110.5° |
| C34 | C39 | H38 | 107.0° | 110.5° |
| N38 | C36 | O37 | 126.0° | 123.1° |
| N38 | C36 | N35 | 107.4° | 113.8° |
| C36 | N38 | H50 | 125.6° | 125.4° |
| C33 | C34 | N35 | 109.1° | 109.2° |
| C34 | C33 | H35 | 110.5° | 110.7° |
| C34 | C33 | H36 | 110.5° | 110.8° |
| C33 | C34 | H37 | 109.3° | 110.3° |
| C34 | N35 | C36 | 108.0° | 109.1° |
| N35 | C34 | H37 | 115.0° | 110.3° |
| C34 | N35 | H49 | 126.0° | 125.5° |
| O37 | C36 | N35 | 126.6° | 123.1° |
| C36 | N35 | H49 | 126.1° | 125.4° |
| H1 | C01 | H2 | 109.5° | 109.4° |
| H1 | C01 | H3 | 109.5° | 109.4° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H6 | C06 | H7 | 109.5° | 109.5° |
| H8 | C09 | H9 | 109.4° | 109.4° |
| H10 | C13 | H11 | 109.5° | 109.5° |
| H12 | C14 | H13 | 109.5° | 109.5° |
| H14 | C16 | H15 | 109.5° | 109.5° |
| H16 | C17 | H17 | 109.5° | 109.5° |
| H18 | C19 | H19 | 109.5° | 109.5° |
| H20 | C20 | H21 | 109.5° | 109.5° |
| H22 | C22 | H23 | 109.5° | 109.5° |
| H24 | C23 | H25 | 109.4° | 109.5° |
| H26 | C27 | H27 | 109.5° | 109.4° |
| H28 | C28 | H29 | 109.5° | 109.5° |
| H30 | C29 | H31 | 109.4° | 109.5° |
| H32 | C30 | H33 | 109.5° | 109.4° |
| H35 | C33 | H36 | 109.4° | 110.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C51 | C50 | C49 | H44 | 180.0° | 180.0° |
| C50 | C51 | C52 | H45 | 180.0° | 180.0° |
| C51 | C50 | C49 | C48 | 0.7° | 0.1° |
| C50 | C51 | C52 | C47 | 0.4° | 0.0° |
| C51 | C50 | C49 | H43 | 179.3° | 179.9° |
| C50 | C51 | C52 | H46 | 179.5° | 180.0° |
| C49 | C50 | C51 | C52 | 0.2° | 0.0° |
| C50 | C49 | C48 | H43 | 180.0° | 179.9° |
| C50 | C49 | C48 | C47 | 0.6° | 0.1° |
| C50 | C49 | C48 | N02 | 179.3° | 179.7° |
| C49 | C50 | C51 | H45 | 179.8° | 180.0° |
| C51 | C52 | C47 | H46 | 180.0° | 179.9° |
| C51 | C52 | C47 | C48 | 0.6° | 0.1° |
| C51 | C52 | C47 | C05 | 179.9° | 180.0° |
| C52 | C51 | C50 | H44 | 179.7° | 180.0° |
| C49 | C48 | C47 | C52 | 0.1° | 0.1° |
| C49 | C48 | C47 | N02 | 179.9° | 179.8° |
| C49 | C48 | C47 | C05 | 179.6° | 180.0° |
| C49 | C48 | N02 | C01 | 0.3° | 0.2° |
| C49 | C48 | N02 | C03 | 179.9° | 179.7° |
| C48 | C49 | C50 | H44 | 179.2° | 180.0° |
| C52 | C47 | C48 | C05 | 179.5° | 179.9° |
| C52 | C47 | C48 | N02 | 180.0° | 179.7° |
| C52 | C47 | C05 | C06 | 1.5° | 0.0° |
| C52 | C47 | C05 | C04 | 179.7° | 179.9° |
| C47 | C52 | C51 | H45 | 179.6° | 180.0° |
| C47 | C48 | N02 | C01 | 179.6° | 180.0° |
| C47 | C48 | N02 | C03 | 0.0° | 0.4° |
| C48 | C47 | C05 | C06 | 177.9° | 179.9° |
| C48 | C47 | C05 | C04 | 0.2° | 0.0° |
| C47 | C48 | C49 | H43 | 179.4° | 180.0° |
| C48 | C47 | C52 | H46 | 179.4° | 180.0° |
| N02 | C48 | C47 | C05 | 0.6° | 0.2° |
| C48 | N02 | C01 | C03 | 179.6° | 179.5° |
| C48 | N02 | C03 | C04 | 0.9° | 0.5° |
| C48 | N02 | C01 | H1 | 180.0° | 90.0° |
| C48 | N02 | C01 | H2 | 60.0° | 150.0° |
| C48 | N02 | C01 | H3 | 60.0° | 30.0° |
| C48 | N02 | C03 | H4 | 179.2° | 179.8° |
| N02 | C48 | C49 | H43 | 0.7° | 0.1° |
| C47 | C05 | C06 | C04 | 178.0° | 179.9° |
| C47 | C05 | C06 | C07 | 176.6° | 85.0° |
| C47 | C05 | C04 | C03 | 0.7° | 0.0° |
| C47 | C05 | C04 | H5 | 179.3° | 180.0° |
| C47 | C05 | C06 | H6 | 54.6° | 155.0° |
| C47 | C05 | C06 | H7 | 61.5° | 34.9° |
| C05 | C47 | C52 | H46 | 0.1° | 0.0° |
| C01 | N02 | C03 | C04 | 179.5° | 180.0° |
| N02 | C01 | H1 | H2 | 120.0° | 120.0° |
| N02 | C01 | H1 | H3 | 120.0° | 120.0° |
| N02 | C01 | H2 | H3 | 120.0° | 120.1° |
| C01 | N02 | C03 | H4 | 0.5° | 0.3° |
| N02 | C03 | C04 | C05 | 1.2° | 0.2° |
| N02 | C03 | C04 | H4 | 180.0° | 179.7° |
| C03 | N02 | C01 | H1 | 0.4° | 90.5° |
| C03 | N02 | C01 | H2 | 120.4° | 29.5° |
| C03 | N02 | C01 | H3 | 119.6° | 149.6° |
| N02 | C03 | C04 | H5 | 178.8° | 179.8° |
| C05 | C06 | C07 | H6 | 122.0° | 120.0° |
| C05 | C06 | C07 | H7 | 122.0° | 119.9° |
| C06 | C05 | C04 | C03 | 178.7° | 179.9° |
| C05 | C06 | C07 | N08 | 167.2° | 90.0° |
| C05 | C06 | C07 | S42 | 13.6° | 90.3° |
| C06 | C05 | C04 | H5 | 1.3° | 0.1° |
| C05 | C06 | H6 | H7 | 113.6° | 120.0° |
| C04 | C05 | C06 | C07 | 5.4° | 95.0° |
| C05 | C04 | C03 | H5 | 180.0° | 180.0° |
| C05 | C04 | C03 | H4 | 178.8° | 180.0° |
| C04 | C05 | C06 | H6 | 127.3° | 25.0° |
| C04 | C05 | C06 | H7 | 116.6° | 145.0° |
| C06 | C07 | N08 | C09 | 5.6° | 0.0° |
| C06 | C07 | N08 | S42 | 179.3° | 179.7° |
| C06 | C07 | N08 | C40 | 179.2° | 180.0° |
| C06 | C07 | S42 | C41 | 177.9° | 180.0° |
| C07 | C06 | H6 | H7 | 113.5° | 120.0° |
| N08 | C09 | C10 | H8 | 121.3° | 120.1° |
| N08 | C09 | C10 | H9 | 121.3° | 120.0° |
| C09 | N08 | C07 | C40 | 175.2° | 180.0° |
| C09 | N08 | C07 | S42 | 173.7° | 179.7° |
| N08 | C09 | C10 | O11 | 151.5° | 0.3° |
| N08 | C09 | C10 | N12 | 28.1° | 180.0° |
| C09 | N08 | C40 | C46 | 5.5° | 0.2° |
| C09 | N08 | C40 | C41 | 176.2° | 179.9° |
| N08 | C09 | H8 | H9 | 115.8° | 120.0° |
| C10 | C09 | N08 | C07 | 112.4° | 90.0° |
| C09 | C10 | O11 | N12 | 179.6° | 179.7° |
| C10 | C09 | N08 | C40 | 73.2° | 90.0° |
| C09 | C10 | N12 | C13 | 179.1° | 180.0° |
| C10 | C09 | H8 | H9 | 115.8° | 119.9° |
| C09 | C10 | N12 | H47 | 0.9° | 0.0° |
| N08 | C07 | S42 | C41 | 2.8° | 0.3° |
| C07 | N08 | C40 | C46 | 179.4° | 179.8° |
| C07 | N08 | C40 | C41 | 1.0° | 0.1° |
| N08 | C07 | C06 | H6 | 45.2° | 30.0° |
| N08 | C07 | C06 | H7 | 70.9° | 150.0° |
| C07 | N08 | C09 | H8 | 8.9° | 30.0° |
| C07 | N08 | C09 | H9 | 126.3° | 150.0° |
| S42 | C07 | N08 | C40 | 1.5° | 0.3° |
| C07 | S42 | C41 | C40 | 3.2° | 0.2° |
| C07 | S42 | C41 | C43 | 179.8° | 179.8° |
| S42 | C07 | C06 | H6 | 135.6° | 149.7° |
| S42 | C07 | C06 | H7 | 108.4° | 29.6° |
| O11 | C10 | N12 | C13 | 1.3° | 0.3° |
| O11 | C10 | C09 | H8 | 87.1° | 119.8° |
| O11 | C10 | C09 | H9 | 30.2° | 120.3° |
| O11 | C10 | N12 | H47 | 178.7° | 179.7° |
| N08 | C40 | C41 | S42 | 3.0° | 0.1° |
| N08 | C40 | C46 | C41 | 178.3° | 179.9° |
| N08 | C40 | C46 | C45 | 179.0° | 179.9° |
| N08 | C40 | C41 | C43 | 179.6° | 179.9° |
| C40 | N08 | C09 | H8 | 165.5° | 150.0° |
| C40 | N08 | C09 | H9 | 48.2° | 30.0° |
| N08 | C40 | C46 | H42 | 0.9° | 0.1° |
| C10 | N12 | C13 | H47 | 180.0° | 180.0° |
| C10 | N12 | C13 | C14 | 107.3° | 180.0° |
| N12 | C10 | C09 | H8 | 93.2° | 59.9° |
| N12 | C10 | C09 | H9 | 149.4° | 60.0° |
| C10 | N12 | C13 | H10 | 133.0° | 60.0° |
| C10 | N12 | C13 | H11 | 12.4° | 60.0° |
| S42 | C41 | C40 | C46 | 178.7° | 180.0° |
| S42 | C41 | C40 | C43 | 177.5° | 179.9° |
| S42 | C41 | C43 | C44 | 178.4° | 179.9° |
| S42 | C41 | C43 | H39 | 1.6° | 0.0° |
| C40 | C46 | C45 | H42 | 180.0° | 180.0° |
| C46 | C40 | C41 | C43 | 1.2° | 0.0° |
| C40 | C46 | C45 | C44 | 0.9° | 0.0° |
| C40 | C46 | C45 | H41 | 179.1° | 180.0° |
| C41 | C40 | C46 | C45 | 0.8° | 0.1° |
| C40 | C41 | C43 | C44 | 1.7° | 0.0° |
| C40 | C41 | C43 | H39 | 178.3° | 179.9° |
| C41 | C40 | C46 | H42 | 179.2° | 179.9° |
| C46 | C45 | C44 | H41 | 180.0° | 180.0° |
| C46 | C45 | C44 | C43 | 1.5° | 0.0° |
| C46 | C45 | C44 | H40 | 178.5° | 180.0° |
| C41 | C43 | C44 | C45 | 1.8° | 0.0° |
| C41 | C43 | C44 | H39 | 180.0° | 180.0° |
| C41 | C43 | C44 | H40 | 178.2° | 180.0° |
| N12 | C13 | C14 | H10 | 119.8° | 120.0° |
| N12 | C13 | C14 | H11 | 119.8° | 120.0° |
| N12 | C13 | C14 | O15 | 64.0° | 65.0° |
| N12 | C13 | H10 | H11 | 120.7° | 119.9° |
| N12 | C13 | C14 | H12 | 55.6° | 175.0° |
| N12 | C13 | C14 | H13 | 176.3° | 55.0° |
| C45 | C44 | C43 | H40 | 180.0° | 179.9° |
| C45 | C44 | C43 | H39 | 178.2° | 180.0° |
| C44 | C45 | C46 | H42 | 179.1° | 180.0° |
| C43 | C44 | C45 | H41 | 178.5° | 180.0° |
| C13 | C14 | O15 | H12 | 119.7° | 120.0° |
| C13 | C14 | O15 | H13 | 119.7° | 120.0° |
| C13 | C14 | O15 | C16 | 157.9° | 180.0° |
| C14 | C13 | H10 | H11 | 120.7° | 120.1° |
| C13 | C14 | H12 | H13 | 121.0° | 120.0° |
| C14 | C13 | N12 | H47 | 72.7° | 0.0° |
| C14 | O15 | C16 | C17 | 129.5° | 180.0° |
| O15 | C14 | C13 | H10 | 176.3° | 175.0° |
| O15 | C14 | C13 | H11 | 55.8° | 55.0° |
| O15 | C14 | H12 | H13 | 121.0° | 120.0° |
| C14 | O15 | C16 | H14 | 110.4° | 60.0° |
| C14 | O15 | C16 | H15 | 9.5° | 60.0° |
| O15 | C16 | C17 | H14 | 120.0° | 120.0° |
| O15 | C16 | C17 | H15 | 120.0° | 120.0° |
| O15 | C16 | C17 | O18 | 24.2° | 65.0° |
| C16 | O15 | C14 | H12 | 38.2° | 60.0° |
| C16 | O15 | C14 | H13 | 82.5° | 60.0° |
| O15 | C16 | H14 | H15 | 120.0° | 120.0° |
| O15 | C16 | C17 | H16 | 95.9° | 175.0° |
| O15 | C16 | C17 | H17 | 144.4° | 55.0° |
| C22 | C23 | N24 | H24 | 119.7° | 120.0° |
| C22 | C23 | N24 | H25 | 119.7° | 120.0° |
| C23 | C22 | O21 | H22 | 119.6° | 120.0° |
| C23 | C22 | O21 | H23 | 119.6° | 120.0° |
| C23 | C22 | O21 | C20 | 172.6° | 180.0° |
| C22 | C23 | N24 | C25 | 117.7° | 180.0° |
| C23 | C22 | H22 | H23 | 121.2° | 120.0° |
| C22 | C23 | H24 | H25 | 120.8° | 120.0° |
| C22 | C23 | N24 | H48 | 62.3° | 0.1° |
| N24 | C23 | C22 | O21 | 63.0° | 65.0° |
| C23 | N24 | C25 | H48 | 180.0° | 179.9° |
| C23 | N24 | C25 | O26 | 0.4° | 0.1° |
| C23 | N24 | C25 | C27 | 179.6° | 180.0° |
| N24 | C23 | C22 | H22 | 177.4° | 175.0° |
| N24 | C23 | C22 | H23 | 56.6° | 55.0° |
| N24 | C23 | H24 | H25 | 120.8° | 120.0° |
| C16 | C17 | O18 | H16 | 120.2° | 119.9° |
| C16 | C17 | O18 | H17 | 120.1° | 120.0° |
| C16 | C17 | O18 | C19 | 120.8° | 180.0° |
| C17 | C16 | H14 | H15 | 119.9° | 120.0° |
| C16 | C17 | H16 | H17 | 119.5° | 120.0° |
| C17 | O18 | C19 | C20 | 169.3° | 180.0° |
| O18 | C17 | C16 | H14 | 144.3° | 175.0° |
| O18 | C17 | C16 | H15 | 95.8° | 55.0° |
| O18 | C17 | H16 | H17 | 119.5° | 120.1° |
| C17 | O18 | C19 | H18 | 49.7° | 60.0° |
| C17 | O18 | C19 | H19 | 71.1° | 60.0° |
| O18 | C19 | C20 | O21 | 83.0° | 65.1° |
| O18 | C19 | C20 | H18 | 119.5° | 119.9° |
| O18 | C19 | C20 | H19 | 119.6° | 120.1° |
| C19 | O18 | C17 | H16 | 119.0° | 60.0° |
| C19 | O18 | C17 | H17 | 0.7° | 60.0° |
| O18 | C19 | H18 | H19 | 121.3° | 120.0° |
| O18 | C19 | C20 | H20 | 36.4° | 175.0° |
| O18 | C19 | C20 | H21 | 157.5° | 54.9° |
| C22 | O21 | C20 | C19 | 168.1° | 180.0° |
| C22 | O21 | C20 | H20 | 72.4° | 60.0° |
| C22 | O21 | C20 | H21 | 48.7° | 60.0° |
| O21 | C22 | H22 | H23 | 121.2° | 120.0° |
| O21 | C22 | C23 | H24 | 177.2° | 175.0° |
| O21 | C22 | C23 | H25 | 56.7° | 55.0° |
| O21 | C20 | C19 | H20 | 119.5° | 120.0° |
| O21 | C20 | C19 | H21 | 119.4° | 120.0° |
| O21 | C20 | C19 | H18 | 36.5° | 175.0° |
| O21 | C20 | C19 | H19 | 157.4° | 55.0° |
| O21 | C20 | H20 | H21 | 121.6° | 120.0° |
| C20 | O21 | C22 | H22 | 53.0° | 60.0° |
| C20 | O21 | C22 | H23 | 67.8° | 60.0° |
| N24 | C25 | O26 | C27 | 180.0° | 179.9° |
| N24 | C25 | C27 | C28 | 144.0° | 180.0° |
| C25 | N24 | C23 | H24 | 2.1° | 60.0° |
| C25 | N24 | C23 | H25 | 122.6° | 60.0° |
| N24 | C25 | C27 | H26 | 23.4° | 59.9° |
| N24 | C25 | C27 | H27 | 95.4° | 60.0° |
| C20 | C19 | H18 | H19 | 121.3° | 120.0° |
| C19 | C20 | H20 | H21 | 121.6° | 120.1° |
| O26 | C25 | C27 | C28 | 36.0° | 0.0° |
| O26 | C25 | C27 | H26 | 156.6° | 120.0° |
| O26 | C25 | C27 | H27 | 84.6° | 120.1° |
| O26 | C25 | N24 | H48 | 179.6° | 180.0° |
| C25 | C27 | C28 | H26 | 120.7° | 120.1° |
| C25 | C27 | C28 | H27 | 120.6° | 120.0° |
| C25 | C27 | C28 | C29 | 178.6° | 180.0° |
| C25 | C27 | H26 | H27 | 118.1° | 120.0° |
| C25 | C27 | C28 | H28 | 61.9° | 60.0° |
| C25 | C27 | C28 | H29 | 59.0° | 60.0° |
| C27 | C25 | N24 | H48 | 0.4° | 0.1° |
| C27 | C28 | C29 | H28 | 119.6° | 120.0° |
| C27 | C28 | C29 | H29 | 119.6° | 120.0° |
| C27 | C28 | C29 | C30 | 170.9° | 180.0° |
| C28 | C27 | H26 | H27 | 118.0° | 120.0° |
| C27 | C28 | H28 | H29 | 121.3° | 120.0° |
| C27 | C28 | C29 | H30 | 49.9° | 60.0° |
| C27 | C28 | C29 | H31 | 68.1° | 60.0° |
| C28 | C29 | C30 | H30 | 121.0° | 120.0° |
| C28 | C29 | C30 | H31 | 121.0° | 120.0° |
| C28 | C29 | C30 | C31 | 111.5° | 180.0° |
| C29 | C28 | C27 | H26 | 57.9° | 60.0° |
| C29 | C28 | C27 | H27 | 60.8° | 60.0° |
| C29 | C28 | H28 | H29 | 121.2° | 120.0° |
| C28 | C29 | H30 | H31 | 116.9° | 120.1° |
| C28 | C29 | C30 | H32 | 9.4° | 60.0° |
| C28 | C29 | C30 | H33 | 127.5° | 60.0° |
| C29 | C30 | C31 | H32 | 121.0° | 120.0° |
| C29 | C30 | C31 | H33 | 121.0° | 120.0° |
| C29 | C30 | C31 | S32 | 159.6° | 66.4° |
| C29 | C30 | C31 | C39 | 41.2° | 179.8° |
| C30 | C29 | C28 | H28 | 69.5° | 60.0° |
| C30 | C29 | C28 | H29 | 51.3° | 60.0° |
| C30 | C29 | H30 | H31 | 117.0° | 119.9° |
| C29 | C30 | H32 | H33 | 117.0° | 120.0° |
| C29 | C30 | C31 | H34 | 84.3° | 56.8° |
| C30 | C31 | S32 | C39 | 125.1° | 118.4° |
| C30 | C31 | S32 | H34 | 116.8° | 123.1° |
| C30 | C31 | C39 | H34 | 124.4° | 123.3° |
| C30 | C31 | S32 | C33 | 163.0° | 153.0° |
| C30 | C31 | C39 | N38 | 27.3° | 28.1° |
| C30 | C31 | C39 | C34 | 145.6° | 143.0° |
| C31 | C30 | C29 | H30 | 127.5° | 60.0° |
| C31 | C30 | C29 | H31 | 9.4° | 59.9° |
| C31 | C30 | H32 | H33 | 117.0° | 120.0° |
| C30 | C31 | C39 | H38 | 99.4° | 93.2° |
| S32 | C31 | C39 | H34 | 116.1° | 118.4° |
| S32 | C31 | C39 | N38 | 92.2° | 90.3° |
| S32 | C31 | C39 | C34 | 26.1° | 24.6° |
| C31 | S32 | C33 | C34 | 31.0° | 34.7° |
| S32 | C31 | C30 | H32 | 79.5° | 53.6° |
| S32 | C31 | C30 | H33 | 38.6° | 173.6° |
| C31 | S32 | C33 | H35 | 88.4° | 152.9° |
| C31 | S32 | C33 | H36 | 150.4° | 83.7° |
| S32 | C31 | C39 | H38 | 141.1° | 148.4° |
| C39 | C31 | S32 | C33 | 37.9° | 34.7° |
| C31 | C39 | N38 | C34 | 117.5° | 120.1° |
| C31 | C39 | N38 | H38 | 125.9° | 121.4° |
| C31 | C39 | C34 | H38 | 116.9° | 123.7° |
| C31 | C39 | N38 | C36 | 118.5° | 120.2° |
| C31 | C39 | C34 | C33 | 8.1° | 0.0° |
| C31 | C39 | C34 | N35 | 125.0° | 118.0° |
| C39 | C31 | C30 | H32 | 162.2° | 59.8° |
| C39 | C31 | C30 | H33 | 79.8° | 60.2° |
| C31 | C39 | C34 | H37 | 109.0° | 123.7° |
| C31 | C39 | N38 | H50 | 61.5° | 59.8° |
| S32 | C33 | C34 | C39 | 16.2° | 24.6° |
| S32 | C33 | C34 | H35 | 119.4° | 118.3° |
| S32 | C33 | C34 | H36 | 119.4° | 118.5° |
| S32 | C33 | C34 | N35 | 100.6° | 90.3° |
| C33 | S32 | C31 | H34 | 80.2° | 83.8° |
| S32 | C33 | H35 | H36 | 121.8° | 123.5° |
| S32 | C33 | C34 | H37 | 133.0° | 148.4° |
| N38 | C39 | C34 | H38 | 119.3° | 118.3° |
| C39 | N38 | C36 | H50 | 180.0° | 180.0° |
| N38 | C39 | C34 | C33 | 115.7° | 118.0° |
| N38 | C39 | C34 | N35 | 1.3° | 0.0° |
| C39 | N38 | C36 | O37 | 179.6° | 180.0° |
| C39 | N38 | C36 | N35 | 0.5° | 0.0° |
| N38 | C39 | C31 | H34 | 151.7° | 151.4° |
| N38 | C39 | C34 | H37 | 127.3° | 118.3° |
| C34 | C39 | N38 | C36 | 1.0° | 0.0° |
| C39 | C34 | C33 | N35 | 116.8° | 114.9° |
| C39 | C34 | C33 | H37 | 116.8° | 123.8° |
| C39 | C34 | N35 | H37 | 122.3° | 118.5° |
| C39 | C34 | N35 | C36 | 0.9° | 0.0° |
| C34 | C39 | C31 | H34 | 90.1° | 93.7° |
| C39 | C34 | C33 | H35 | 103.2° | 142.9° |
| C39 | C34 | C33 | H36 | 135.6° | 93.9° |
| C39 | C34 | N35 | H49 | 179.1° | 179.9° |
| C34 | C39 | N38 | H50 | 179.1° | 180.0° |
| N38 | C36 | N35 | C34 | 0.4° | 0.0° |
| N38 | C36 | O37 | N35 | 179.9° | 180.0° |
| C36 | N38 | C39 | H38 | 115.6° | 118.5° |
| N38 | C36 | N35 | H49 | 179.6° | 179.9° |
| C33 | C34 | N35 | H37 | 123.1° | 121.3° |
| C33 | C34 | N35 | C36 | 113.6° | 120.2° |
| C34 | C33 | H35 | H36 | 121.8° | 123.2° |
| C33 | C34 | C39 | H38 | 125.0° | 123.7° |
| C33 | C34 | N35 | H49 | 66.4° | 59.9° |
| C34 | N35 | C36 | O37 | 179.5° | 180.0° |
| C34 | N35 | C36 | H49 | 180.0° | 179.9° |
| N35 | C34 | C33 | H35 | 140.1° | 28.0° |
| N35 | C34 | C33 | H36 | 18.8° | 151.2° |
| N35 | C34 | C39 | H38 | 118.1° | 118.3° |
| O37 | C36 | N35 | H49 | 0.5° | 0.1° |
| O37 | C36 | N38 | H50 | 0.4° | 0.0° |
| C36 | N35 | C34 | H37 | 123.3° | 118.5° |
| N35 | C36 | N38 | H50 | 179.5° | 180.0° |
| H1 | C01 | H2 | H3 | 120.0° | 119.9° |
| H4 | C03 | C04 | H5 | 1.2° | 0.1° |
| H10 | C13 | C14 | H12 | 64.1° | 55.0° |
| H10 | C13 | C14 | H13 | 56.6° | 65.0° |
| H10 | C13 | N12 | H47 | 47.0° | 120.0° |
| H11 | C13 | C14 | H12 | 175.4° | 65.0° |
| H11 | C13 | C14 | H13 | 63.9° | 175.0° |
| H11 | C13 | N12 | H47 | 167.6° | 120.0° |
| H14 | C16 | C17 | H16 | 24.1° | 55.1° |
| H14 | C16 | C17 | H17 | 95.6° | 65.0° |
| H15 | C16 | C17 | H16 | 144.1° | 65.0° |
| H15 | C16 | C17 | H17 | 24.4° | 175.0° |
| H18 | C19 | C20 | H20 | 156.0° | 55.1° |
| H18 | C19 | C20 | H21 | 82.9° | 65.0° |
| H19 | C19 | C20 | H20 | 83.2° | 64.9° |
| H19 | C19 | C20 | H21 | 37.9° | 175.0° |
| H22 | C22 | C23 | H24 | 57.6° | 55.0° |
| H22 | C22 | C23 | H25 | 62.9° | 65.0° |
| H23 | C22 | C23 | H24 | 63.2° | 64.9° |
| H23 | C22 | C23 | H25 | 176.3° | 175.0° |
| H24 | C23 | N24 | H48 | 177.9° | 119.9° |
| H25 | C23 | N24 | H48 | 57.4° | 120.1° |
| H26 | C27 | C28 | H28 | 177.5° | 179.9° |
| H26 | C27 | C28 | H29 | 61.7° | 60.1° |
| H27 | C27 | C28 | H28 | 58.8° | 60.0° |
| H27 | C27 | C28 | H29 | 179.6° | 180.0° |
| H28 | C28 | C29 | H30 | 169.5° | 180.0° |
| H28 | C28 | C29 | H31 | 51.5° | 59.9° |
| H29 | C28 | C29 | H30 | 69.6° | 60.0° |
| H29 | C28 | C29 | H31 | 172.3° | 180.0° |
| H30 | C29 | C30 | H32 | 111.6° | 180.0° |
| H30 | C29 | C30 | H33 | 6.5° | 60.1° |
| H31 | C29 | C30 | H32 | 130.4° | 60.0° |
| H31 | C29 | C30 | H33 | 111.5° | 180.0° |
| H32 | C30 | C31 | H34 | 36.7° | 176.8° |
| H33 | C30 | C31 | H34 | 154.8° | 63.2° |
| H34 | C31 | C39 | H38 | 25.0° | 30.0° |
| H35 | C33 | C34 | H37 | 13.6° | 93.3° |
| H36 | C33 | C34 | H37 | 107.6° | 29.9° |
| H37 | C34 | C39 | H38 | 7.9° | 0.0° |
| H37 | C34 | N35 | H49 | 56.7° | 61.4° |
| H38 | C39 | N38 | H50 | 64.4° | 61.5° |
| H39 | C43 | C44 | H40 | 1.8° | 0.1° |
| H40 | C44 | C45 | H41 | 1.5° | 0.0° |
| H41 | C45 | C46 | H42 | 0.9° | 0.0° |
| H43 | C49 | C50 | H44 | 0.8° | 0.1° |
| H44 | C50 | C51 | H45 | 0.3° | 0.1° |
| H45 | C51 | C52 | H46 | 0.5° | 0.0° |
