8VC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C09 | sing | 1.51Å | 1.55Å | |
| C10 | O11 | doub | 1.21Å | 1.18Å | |
| C10 | N12 | sing | 1.35Å | 1.48Å | |
| C13 | C21 | sing | 1.53Å | 1.56Å | |
| C13 | N12 | sing | 1.46Å | 1.52Å | |
| C13 | C14 | sing | 1.53Å | 1.57Å | |
| C16 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C15 | doub | 1.38Å | 1.41Å | Aromatic |
| C21 | C22 | sing | 1.51Å | 1.54Å | |
| C21 | O44 | sing | 1.43Å | 1.39Å | |
| C22 | O23 | doub | 1.21Å | 1.18Å | |
| C22 | N24 | sing | 1.35Å | 1.47Å | |
| C25 | S26 | sing | 1.84Å | 1.54Å | |
| C27 | C28 | sing | 1.55Å | 1.65Å | |
| C27 | S26 | sing | 1.84Å | 1.74Å | |
| C27 | C42 | sing | 1.53Å | 1.54Å | |
| C27 | C43 | sing | 1.53Å | 1.57Å | |
| C28 | N24 | sing | 1.46Å | 1.48Å | |
| C28 | C29 | sing | 1.51Å | 1.54Å | |
| C01 | C02 | sing | 1.51Å | 1.54Å | |
| C02 | C03 | doub | 1.38Å | 1.41Å | Aromatic |
| C02 | C07 | sing | 1.39Å | 1.40Å | Aromatic |
| C03 | C04 | sing | 1.39Å | 1.39Å | Aromatic |
| C04 | C05 | doub | 1.39Å | 1.42Å | Aromatic |
| C04 | N46 | sing | 1.40Å | 1.49Å | |
| C05 | C06 | sing | 1.38Å | 1.38Å | Aromatic |
| C06 | C07 | doub | 1.39Å | 1.42Å | Aromatic |
| C06 | C45 | sing | 1.51Å | 1.55Å | |
| C07 | O08 | sing | 1.36Å | 1.43Å | |
| O08 | C09 | sing | 1.43Å | 1.42Å | |
| C14 | C15 | sing | 1.51Å | 1.54Å | |
| C29 | O30 | doub | 1.21Å | 1.18Å | |
| C29 | N31 | sing | 1.35Å | 1.48Å | |
| N31 | C32 | sing | 1.47Å | 1.48Å | |
| C32 | C33 | sing | 1.54Å | 1.53Å | |
| C32 | C40 | sing | 1.51Å | 1.53Å | |
| C33 | C34 | sing | 1.54Å | 1.51Å | |
| C33 | O41 | sing | 1.43Å | 1.43Å | |
| C34 | C35 | sing | 1.51Å | 1.55Å | |
| C35 | C36 | doub | 1.38Å | 1.41Å | Aromatic |
| C35 | C40 | sing | 1.38Å | 1.40Å | Aromatic |
| C36 | C37 | sing | 1.38Å | 1.42Å | Aromatic |
| C37 | C38 | doub | 1.38Å | 1.41Å | Aromatic |
| C38 | C39 | sing | 1.38Å | 1.41Å | Aromatic |
| C39 | C40 | doub | 1.39Å | 1.42Å | Aromatic |
| N46 | C47 | sing | 1.47Å | 1.50Å | |
| N46 | C48 | sing | 1.46Å | 1.49Å | |
| C48 | C49 | sing | 1.53Å | 1.56Å | |
| C49 | N50 | sing | 1.47Å | 1.48Å | |
| N50 | C51 | sing | 1.47Å | 1.45Å | |
| N50 | C52 | sing | 1.47Å | 1.49Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C16 | H2 | sing | 1.08Å | 1.08Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C18 | H4 | sing | 1.08Å | 1.08Å | |
| C19 | H5 | sing | 1.08Å | 1.08Å | |
| C20 | H6 | sing | 1.08Å | 1.08Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C25 | H8 | sing | 1.09Å | 1.10Å | |
| C25 | H9 | sing | 1.09Å | 1.10Å | |
| C28 | H11 | sing | 1.09Å | 1.10Å | |
| C01 | H12 | sing | 1.09Å | 1.10Å | |
| C01 | H13 | sing | 1.09Å | 1.10Å | |
| C01 | H14 | sing | 1.09Å | 1.10Å | |
| C03 | H15 | sing | 1.08Å | 1.08Å | |
| C05 | H16 | sing | 1.08Å | 1.08Å | |
| C09 | H17 | sing | 1.09Å | 1.10Å | |
| C09 | H18 | sing | 1.09Å | 1.10Å | |
| N12 | H19 | sing | 0.97Å | 1.00Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| N31 | H23 | sing | 0.97Å | 1.00Å | |
| C32 | H24 | sing | 1.09Å | 1.10Å | |
| C33 | H25 | sing | 1.09Å | 1.10Å | |
| C34 | H26 | sing | 1.09Å | 1.10Å | |
| C34 | H27 | sing | 1.09Å | 1.10Å | |
| C36 | H28 | sing | 1.08Å | 1.08Å | |
| C37 | H29 | sing | 1.08Å | 1.08Å | |
| C38 | H30 | sing | 1.08Å | 1.08Å | |
| C39 | H31 | sing | 1.08Å | 1.08Å | |
| O41 | H32 | sing | 0.97Å | 0.95Å | |
| C42 | H33 | sing | 1.09Å | 1.10Å | |
| C42 | H34 | sing | 1.09Å | 1.10Å | |
| C42 | H35 | sing | 1.09Å | 1.10Å | |
| C43 | H36 | sing | 1.09Å | 1.10Å | |
| C43 | H37 | sing | 1.09Å | 1.10Å | |
| C43 | H38 | sing | 1.09Å | 1.10Å | |
| O44 | H39 | sing | 0.97Å | 0.95Å | |
| C45 | H40 | sing | 1.09Å | 1.10Å | |
| C45 | H41 | sing | 1.09Å | 1.10Å | |
| C45 | H42 | sing | 1.09Å | 1.10Å | |
| C47 | H43 | sing | 1.09Å | 1.10Å | |
| C47 | H44 | sing | 1.09Å | 1.10Å | |
| C47 | H45 | sing | 1.09Å | 1.10Å | |
| C48 | H46 | sing | 1.09Å | 1.10Å | |
| C48 | H47 | sing | 1.09Å | 1.10Å | |
| C49 | H48 | sing | 1.09Å | 1.10Å | |
| C49 | H49 | sing | 1.09Å | 1.10Å | |
| C51 | H51 | sing | 1.09Å | 1.10Å | |
| C51 | H52 | sing | 1.09Å | 1.10Å | |
| C51 | H53 | sing | 1.09Å | 1.10Å | |
| C52 | H54 | sing | 1.09Å | 1.10Å | |
| C52 | H55 | sing | 1.09Å | 1.10Å | |
| C52 | H56 | sing | 1.09Å | 1.10Å | |
| C25 | N24 | sing | 1.48Å | 1.69Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C09 | C10 | O11 | 120.9° | 120.0° |
| C09 | C10 | N12 | 119.6° | 120.0° |
| C10 | C09 | O08 | 110.7° | 109.5° |
| C10 | C09 | H17 | 109.2° | 109.5° |
| C10 | C09 | H18 | 109.1° | 109.5° |
| O11 | C10 | N12 | 119.5° | 120.0° |
| C10 | N12 | C13 | 118.6° | 120.0° |
| C10 | N12 | H19 | 120.7° | 120.0° |
| C21 | C13 | N12 | 109.3° | 109.5° |
| C21 | C13 | C14 | 111.6° | 109.5° |
| C13 | C21 | C22 | 108.1° | 109.5° |
| C13 | C21 | O44 | 114.0° | 109.4° |
| C21 | C13 | H1 | 108.3° | 109.4° |
| C13 | C21 | H7 | 105.9° | 109.5° |
| N12 | C13 | C14 | 110.4° | 109.5° |
| N12 | C13 | H1 | 108.9° | 109.4° |
| C13 | N12 | H19 | 120.7° | 120.0° |
| C13 | C14 | C15 | 111.2° | 109.5° |
| C14 | C13 | H1 | 108.3° | 109.5° |
| C13 | C14 | H20 | 109.0° | 109.5° |
| C13 | C14 | H21 | 109.0° | 109.5° |
| C17 | C16 | C15 | 120.0° | 120.0° |
| C16 | C17 | C18 | 119.8° | 120.0° |
| C17 | C16 | H2 | 120.0° | 120.0° |
| C16 | C17 | H3 | 120.1° | 120.0° |
| C16 | C15 | C20 | 120.1° | 120.0° |
| C16 | C15 | C14 | 120.3° | 120.0° |
| C15 | C16 | H2 | 120.0° | 120.0° |
| C17 | C18 | C19 | 120.2° | 120.0° |
| C18 | C17 | H3 | 120.1° | 119.9° |
| C17 | C18 | H4 | 119.9° | 120.0° |
| C18 | C19 | C20 | 120.1° | 120.0° |
| C19 | C18 | H4 | 119.9° | 120.0° |
| C18 | C19 | H5 | 119.9° | 120.1° |
| C19 | C20 | C15 | 119.8° | 120.0° |
| C20 | C19 | H5 | 119.9° | 119.9° |
| C19 | C20 | H6 | 120.1° | 120.0° |
| C20 | C15 | C14 | 119.6° | 120.0° |
| C15 | C20 | H6 | 120.1° | 120.0° |
| C22 | C21 | O44 | 114.3° | 109.5° |
| C21 | C22 | O23 | 121.1° | 120.0° |
| C21 | C22 | N24 | 120.9° | 120.0° |
| C22 | C21 | H7 | 106.1° | 109.5° |
| O44 | C21 | H7 | 107.8° | 109.4° |
| C21 | O44 | H39 | 109.5° | 114.0° |
| O23 | C22 | N24 | 117.8° | 120.0° |
| C22 | N24 | C28 | 119.9° | 122.5° |
| C22 | N24 | C25 | 133.6° | 122.4° |
| C25 | S26 | C27 | 104.6° | 93.9° |
| S26 | C25 | H8 | 110.9° | 110.8° |
| S26 | C25 | H9 | 110.9° | 110.8° |
| S26 | C25 | N24 | 103.7° | 102.7° |
| C28 | C27 | S26 | 102.9° | 101.3° |
| C28 | C27 | C42 | 111.1° | 111.1° |
| C28 | C27 | C43 | 105.3° | 111.0° |
| C27 | C28 | N24 | 99.7° | 113.2° |
| C27 | C28 | C29 | 114.2° | 108.7° |
| C27 | C28 | H11 | 108.9° | 108.8° |
| S26 | C27 | C42 | 113.6° | 111.0° |
| S26 | C27 | C43 | 111.4° | 111.0° |
| C42 | C27 | C43 | 111.9° | 111.0° |
| C27 | C42 | H33 | 109.5° | 109.4° |
| C27 | C42 | H34 | 109.5° | 109.5° |
| C27 | C42 | H35 | 109.5° | 109.5° |
| C27 | C43 | H36 | 109.5° | 109.5° |
| C27 | C43 | H37 | 109.5° | 109.5° |
| C27 | C43 | H38 | 109.5° | 109.5° |
| N24 | C28 | C29 | 112.3° | 108.7° |
| N24 | C28 | H11 | 111.2° | 108.7° |
| C28 | N24 | C25 | 106.1° | 115.1° |
| C28 | C29 | O30 | 124.2° | 120.0° |
| C28 | C29 | N31 | 114.5° | 120.0° |
| C29 | C28 | H11 | 110.2° | 108.6° |
| C01 | C02 | C03 | 118.0° | 120.0° |
| C01 | C02 | C07 | 121.7° | 119.9° |
| C02 | C01 | H12 | 109.5° | 109.4° |
| C02 | C01 | H13 | 109.5° | 109.5° |
| C02 | C01 | H14 | 109.5° | 109.5° |
| C03 | C02 | C07 | 120.2° | 120.1° |
| C02 | C03 | C04 | 120.5° | 119.9° |
| C02 | C03 | H15 | 119.8° | 120.0° |
| C02 | C07 | C06 | 119.4° | 120.0° |
| C02 | C07 | O08 | 120.7° | 120.0° |
| C03 | C04 | C05 | 119.2° | 120.0° |
| C03 | C04 | N46 | 120.0° | 120.0° |
| C04 | C03 | H15 | 119.7° | 120.0° |
| C05 | C04 | N46 | 120.8° | 120.0° |
| C04 | C05 | C06 | 120.9° | 120.0° |
| C04 | C05 | H16 | 119.6° | 120.0° |
| C04 | N46 | C47 | 116.8° | 120.0° |
| C04 | N46 | C48 | 120.3° | 120.0° |
| C05 | C06 | C07 | 119.9° | 120.0° |
| C05 | C06 | C45 | 118.5° | 120.0° |
| C06 | C05 | H16 | 119.6° | 120.0° |
| C07 | C06 | C45 | 121.7° | 120.0° |
| C06 | C07 | O08 | 119.9° | 119.9° |
| C06 | C45 | H40 | 109.5° | 109.5° |
| C06 | C45 | H41 | 109.5° | 109.4° |
| C06 | C45 | H42 | 109.5° | 109.5° |
| C07 | O08 | C09 | 110.5° | 117.0° |
| O08 | C09 | H17 | 109.2° | 109.5° |
| O08 | C09 | H18 | 109.2° | 109.5° |
| C15 | C14 | H20 | 109.0° | 109.5° |
| C15 | C14 | H21 | 109.1° | 109.5° |
| O30 | C29 | N31 | 121.2° | 120.0° |
| C29 | N31 | C32 | 122.0° | 120.0° |
| C29 | N31 | H23 | 119.0° | 120.0° |
| N31 | C32 | C33 | 105.2° | 110.3° |
| N31 | C32 | C40 | 113.6° | 110.3° |
| C32 | N31 | H23 | 119.0° | 120.0° |
| N31 | C32 | H24 | 111.0° | 110.3° |
| C33 | C32 | C40 | 106.3° | 105.2° |
| C32 | C33 | C34 | 103.4° | 102.4° |
| C32 | C33 | O41 | 110.5° | 110.8° |
| C33 | C32 | H24 | 110.3° | 110.4° |
| C32 | C33 | H25 | 110.3° | 110.8° |
| C32 | C40 | C35 | 107.4° | 109.8° |
| C32 | C40 | C39 | 131.0° | 130.4° |
| C40 | C32 | H24 | 110.2° | 110.4° |
| C34 | C33 | O41 | 110.2° | 110.8° |
| C33 | C34 | C35 | 104.6° | 105.2° |
| C34 | C33 | H25 | 110.4° | 110.8° |
| C33 | C34 | H26 | 110.7° | 110.4° |
| C33 | C34 | H27 | 110.7° | 110.4° |
| O41 | C33 | H25 | 111.7° | 110.9° |
| C33 | O41 | H32 | 109.5° | 114.0° |
| C34 | C35 | C36 | 130.8° | 130.4° |
| C34 | C35 | C40 | 109.9° | 109.7° |
| C35 | C34 | H26 | 110.7° | 110.3° |
| C35 | C34 | H27 | 110.7° | 110.2° |
| C36 | C35 | C40 | 119.3° | 119.9° |
| C35 | C36 | C37 | 120.0° | 120.2° |
| C35 | C36 | H28 | 120.0° | 119.9° |
| C35 | C40 | C39 | 121.5° | 119.8° |
| C36 | C37 | C38 | 120.3° | 119.9° |
| C37 | C36 | H28 | 120.0° | 119.9° |
| C36 | C37 | H29 | 119.8° | 120.1° |
| C37 | C38 | C39 | 120.0° | 119.9° |
| C38 | C37 | H29 | 119.8° | 120.0° |
| C37 | C38 | H30 | 120.0° | 120.0° |
| C38 | C39 | C40 | 118.9° | 120.2° |
| C39 | C38 | H30 | 120.0° | 120.1° |
| C38 | C39 | H31 | 120.5° | 119.9° |
| C40 | C39 | H31 | 120.6° | 119.9° |
| C47 | N46 | C48 | 122.8° | 120.0° |
| N46 | C47 | H43 | 109.5° | 109.4° |
| N46 | C47 | H44 | 109.5° | 109.5° |
| N46 | C47 | H45 | 109.4° | 109.5° |
| N46 | C48 | C49 | 115.6° | 109.4° |
| N46 | C48 | H46 | 107.9° | 109.4° |
| N46 | C48 | H47 | 107.9° | 109.5° |
| C48 | C49 | N50 | 110.5° | 109.4° |
| C49 | C48 | H46 | 107.9° | 109.4° |
| C49 | C48 | H47 | 107.9° | 109.5° |
| C48 | C49 | H48 | 109.2° | 109.5° |
| C48 | C49 | H49 | 109.2° | 109.5° |
| C49 | N50 | C51 | 110.0° | 111.0° |
| C49 | N50 | C52 | 114.0° | 111.0° |
| N50 | C49 | H48 | 109.2° | 109.5° |
| N50 | C49 | H49 | 109.2° | 109.5° |
| C51 | N50 | C52 | 110.6° | 111.0° |
| N50 | C51 | H51 | 109.5° | 109.5° |
| N50 | C51 | H52 | 109.5° | 109.5° |
| N50 | C51 | H53 | 109.5° | 109.5° |
| N50 | C52 | H54 | 109.5° | 109.5° |
| N50 | C52 | H55 | 109.5° | 109.5° |
| N50 | C52 | H56 | 109.4° | 109.5° |
| H8 | C25 | H9 | 109.5° | 110.7° |
| H8 | C25 | N24 | 110.9° | 110.8° |
| H9 | C25 | N24 | 110.9° | 110.9° |
| H12 | C01 | H13 | 109.4° | 109.5° |
| H12 | C01 | H14 | 109.5° | 109.4° |
| H13 | C01 | H14 | 109.5° | 109.5° |
| H17 | C09 | H18 | 109.5° | 109.5° |
| H20 | C14 | H21 | 109.5° | 109.4° |
| H26 | C34 | H27 | 109.5° | 110.3° |
| H33 | C42 | H34 | 109.5° | 109.5° |
| H33 | C42 | H35 | 109.5° | 109.5° |
| H34 | C42 | H35 | 109.4° | 109.5° |
| H36 | C43 | H37 | 109.5° | 109.4° |
| H36 | C43 | H38 | 109.5° | 109.4° |
| H37 | C43 | H38 | 109.4° | 109.4° |
| H40 | C45 | H41 | 109.4° | 109.4° |
| H40 | C45 | H42 | 109.5° | 109.5° |
| H41 | C45 | H42 | 109.5° | 109.5° |
| H43 | C47 | H44 | 109.5° | 109.5° |
| H43 | C47 | H45 | 109.5° | 109.5° |
| H44 | C47 | H45 | 109.5° | 109.5° |
| H46 | C48 | H47 | 109.5° | 109.5° |
| H48 | C49 | H49 | 109.5° | 109.5° |
| H51 | C51 | H52 | 109.5° | 109.4° |
| H51 | C51 | H53 | 109.4° | 109.5° |
| H52 | C51 | H53 | 109.5° | 109.5° |
| H54 | C52 | H55 | 109.4° | 109.5° |
| H54 | C52 | H56 | 109.5° | 109.4° |
| H55 | C52 | H56 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C09 | C10 | O11 | N12 | 179.5° | 179.7° |
| C09 | C10 | N12 | C13 | 179.2° | 180.0° |
| C10 | C09 | O08 | C07 | 166.1° | 180.0° |
| C10 | C09 | O08 | H17 | 120.2° | 120.0° |
| C10 | C09 | O08 | H18 | 120.2° | 120.0° |
| C10 | C09 | H17 | H18 | 119.4° | 120.0° |
| C09 | C10 | N12 | H19 | 0.9° | 0.0° |
| O11 | C10 | N12 | C13 | 0.4° | 0.3° |
| O11 | C10 | C09 | O08 | 165.5° | 0.0° |
| O11 | C10 | C09 | H17 | 74.3° | 120.0° |
| O11 | C10 | C09 | H18 | 45.3° | 120.0° |
| O11 | C10 | N12 | H19 | 179.6° | 179.7° |
| C10 | N12 | C13 | C21 | 94.6° | 155.0° |
| C10 | N12 | C13 | H19 | 180.0° | 180.0° |
| C10 | N12 | C13 | C14 | 142.2° | 85.0° |
| N12 | C10 | C09 | O08 | 15.0° | 179.7° |
| C10 | N12 | C13 | H1 | 23.5° | 35.0° |
| N12 | C10 | C09 | H17 | 105.2° | 60.3° |
| N12 | C10 | C09 | H18 | 135.1° | 59.7° |
| C21 | C13 | N12 | C14 | 123.1° | 120.0° |
| C21 | C13 | N12 | H1 | 118.1° | 120.0° |
| C21 | C13 | C14 | H1 | 119.1° | 120.0° |
| C13 | C21 | C22 | O44 | 128.2° | 120.0° |
| C13 | C21 | C22 | H7 | 113.2° | 120.1° |
| C13 | C21 | O44 | H7 | 117.2° | 120.0° |
| C13 | C21 | C22 | O23 | 98.0° | 114.9° |
| C13 | C21 | C22 | N24 | 77.9° | 65.0° |
| C21 | C13 | C14 | C15 | 172.0° | 175.0° |
| C21 | C13 | N12 | H19 | 85.3° | 25.0° |
| C21 | C13 | C14 | H20 | 67.8° | 65.0° |
| C21 | C13 | C14 | H21 | 51.7° | 55.0° |
| C13 | C21 | O44 | H39 | 112.8° | 60.1° |
| N12 | C13 | C14 | H1 | 119.1° | 120.0° |
| N12 | C13 | C21 | C22 | 159.7° | 175.0° |
| N12 | C13 | C21 | O44 | 71.9° | 65.0° |
| N12 | C13 | C14 | C15 | 66.3° | 65.0° |
| N12 | C13 | C21 | H7 | 46.4° | 54.9° |
| N12 | C13 | C14 | H20 | 54.0° | 55.1° |
| N12 | C13 | C14 | H21 | 173.4° | 175.0° |
| C13 | C14 | C15 | C16 | 83.2° | 90.0° |
| C13 | C14 | C15 | C20 | 97.3° | 90.0° |
| C14 | C13 | C21 | C22 | 77.9° | 65.0° |
| C14 | C13 | C21 | O44 | 50.4° | 55.0° |
| C13 | C14 | C15 | H20 | 120.2° | 120.0° |
| C13 | C14 | C15 | H21 | 120.3° | 120.0° |
| C14 | C13 | C21 | H7 | 168.8° | 175.0° |
| C14 | C13 | N12 | H19 | 37.8° | 95.0° |
| C13 | C14 | H20 | H21 | 119.2° | 120.0° |
| C17 | C16 | C15 | H2 | 180.0° | 179.7° |
| C16 | C17 | C18 | H3 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.4° | 0.0° |
| C17 | C16 | C15 | C20 | 0.0° | 0.0° |
| C17 | C16 | C15 | C14 | 179.5° | 180.0° |
| C16 | C17 | C18 | H4 | 179.5° | 179.9° |
| C15 | C16 | C17 | C18 | 0.1° | 0.0° |
| C16 | C15 | C20 | C19 | 0.2° | 0.0° |
| C16 | C15 | C20 | C14 | 179.5° | 180.0° |
| C15 | C16 | C17 | H3 | 179.9° | 180.0° |
| C16 | C15 | C20 | H6 | 179.8° | 180.0° |
| C16 | C15 | C14 | H20 | 37.1° | 30.0° |
| C16 | C15 | C14 | H21 | 156.6° | 150.0° |
| C17 | C18 | C19 | H4 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 0.7° | 0.0° |
| C18 | C17 | C16 | H2 | 179.9° | 179.7° |
| C17 | C18 | C19 | H5 | 179.3° | 180.0° |
| C18 | C19 | C20 | H5 | 180.0° | 180.0° |
| C18 | C19 | C20 | C15 | 0.6° | 0.0° |
| C19 | C18 | C17 | H3 | 179.6° | 180.0° |
| C18 | C19 | C20 | H6 | 179.4° | 180.0° |
| C19 | C20 | C15 | H6 | 180.0° | 179.9° |
| C19 | C20 | C15 | C14 | 179.7° | 179.9° |
| C20 | C19 | C18 | H4 | 179.3° | 179.9° |
| C20 | C15 | C16 | H2 | 180.0° | 179.7° |
| C15 | C20 | C19 | H5 | 179.4° | 180.0° |
| C20 | C15 | C14 | H20 | 142.4° | 150.0° |
| C20 | C15 | C14 | H21 | 23.0° | 30.0° |
| C22 | C21 | O44 | H7 | 117.7° | 120.0° |
| C21 | C22 | O23 | N24 | 176.0° | 179.9° |
| C21 | C22 | N24 | C28 | 179.4° | 180.0° |
| C22 | C21 | C13 | H1 | 41.2° | 55.0° |
| C22 | C21 | O44 | H39 | 12.3° | 60.0° |
| C21 | C22 | N24 | C25 | 7.5° | 0.1° |
| O44 | C21 | C22 | O23 | 30.2° | 5.1° |
| O44 | C21 | C22 | N24 | 153.9° | 175.0° |
| O44 | C21 | C13 | H1 | 169.6° | 175.0° |
| O23 | C22 | N24 | C28 | 3.4° | 0.2° |
| O23 | C22 | C21 | H7 | 148.9° | 125.0° |
| O23 | C22 | N24 | C25 | 176.5° | 179.9° |
| C22 | N24 | C25 | S26 | 134.8° | 155.1° |
| C22 | N24 | C28 | C27 | 126.5° | 178.9° |
| C22 | N24 | C28 | C25 | 174.8° | 179.9° |
| C22 | N24 | C28 | C29 | 112.2° | 60.2° |
| N24 | C22 | C21 | H7 | 35.2° | 55.1° |
| C22 | N24 | C25 | H8 | 106.1° | 36.8° |
| C22 | N24 | C25 | H9 | 15.7° | 86.5° |
| C22 | N24 | C28 | H11 | 11.8° | 57.9° |
| C25 | S26 | C27 | C28 | 16.6° | 32.3° |
| C25 | S26 | C27 | C42 | 136.8° | 85.8° |
| C25 | S26 | C27 | C43 | 95.8° | 150.3° |
| S26 | C25 | N24 | C28 | 39.0° | 24.8° |
| S26 | C25 | H8 | H9 | 122.7° | 123.3° |
| S26 | C25 | H8 | N24 | 114.6° | 113.3° |
| S26 | C25 | H9 | N24 | 114.6° | 113.3° |
| C28 | C27 | S26 | C42 | 120.2° | 118.1° |
| C28 | C27 | S26 | C43 | 112.4° | 118.0° |
| C28 | C27 | C42 | C43 | 117.4° | 124.0° |
| C27 | C28 | N24 | C29 | 121.3° | 120.9° |
| C27 | C28 | N24 | H11 | 114.7° | 121.0° |
| C27 | C28 | C29 | H11 | 122.9° | 118.2° |
| C27 | C28 | C29 | O30 | 70.6° | 100.0° |
| C27 | C28 | C29 | N31 | 106.6° | 80.0° |
| C28 | C27 | C42 | H33 | 180.0° | 60.0° |
| C28 | C27 | C42 | H34 | 60.0° | 180.0° |
| C28 | C27 | C42 | H35 | 60.0° | 60.0° |
| C28 | C27 | C43 | H36 | 180.0° | 60.0° |
| C28 | C27 | C43 | H37 | 60.0° | 180.0° |
| C28 | C27 | C43 | H38 | 60.0° | 60.0° |
| C27 | C28 | N24 | C25 | 48.3° | 1.0° |
| S26 | C27 | C42 | C43 | 127.2° | 124.0° |
| S26 | C27 | C28 | N24 | 40.1° | 23.1° |
| S26 | C27 | C28 | C29 | 79.8° | 144.0° |
| C27 | S26 | C25 | H8 | 108.6° | 151.7° |
| C27 | S26 | C25 | H9 | 129.5° | 85.0° |
| S26 | C27 | C28 | H11 | 156.6° | 97.9° |
| S26 | C27 | C42 | H33 | 64.6° | 172.0° |
| S26 | C27 | C42 | H34 | 55.5° | 68.1° |
| S26 | C27 | C42 | H35 | 175.4° | 52.0° |
| S26 | C27 | C43 | H36 | 69.2° | 51.9° |
| S26 | C27 | C43 | H37 | 170.8° | 68.0° |
| S26 | C27 | C43 | H38 | 50.8° | 172.0° |
| C27 | S26 | C25 | N24 | 10.5° | 33.4° |
| C42 | C27 | C28 | N24 | 162.0° | 94.9° |
| C42 | C27 | C28 | C29 | 42.1° | 26.0° |
| C42 | C27 | C28 | H11 | 81.5° | 144.1° |
| C27 | C42 | H33 | H34 | 120.0° | 120.0° |
| C27 | C42 | H33 | H35 | 120.0° | 120.0° |
| C27 | C42 | H34 | H35 | 120.0° | 120.0° |
| C42 | C27 | C43 | H36 | 59.2° | 175.9° |
| C42 | C27 | C43 | H37 | 60.8° | 55.9° |
| C42 | C27 | C43 | H38 | 179.2° | 64.1° |
| C43 | C27 | C28 | N24 | 76.7° | 141.1° |
| C43 | C27 | C28 | C29 | 163.4° | 98.0° |
| C43 | C27 | C28 | H11 | 39.8° | 20.1° |
| C43 | C27 | C42 | H33 | 62.6° | 64.0° |
| C43 | C27 | C42 | H34 | 177.4° | 55.9° |
| C43 | C27 | C42 | H35 | 57.4° | 176.0° |
| C27 | C43 | H36 | H37 | 120.0° | 120.0° |
| C27 | C43 | H36 | H38 | 120.0° | 120.1° |
| C27 | C43 | H37 | H38 | 120.0° | 120.0° |
| N24 | C28 | C29 | H11 | 124.5° | 118.2° |
| N24 | C28 | C29 | O30 | 42.0° | 23.6° |
| N24 | C28 | C29 | N31 | 140.8° | 156.3° |
| C28 | N24 | C25 | H8 | 80.1° | 143.1° |
| C28 | N24 | C25 | H9 | 158.1° | 93.6° |
| C28 | C29 | O30 | N31 | 177.0° | 180.0° |
| C28 | C29 | N31 | C32 | 175.8° | 180.0° |
| C28 | C29 | N31 | H23 | 4.2° | 0.0° |
| C29 | C28 | N24 | C25 | 73.0° | 119.9° |
| C01 | C02 | C03 | C07 | 179.9° | 179.7° |
| C01 | C02 | C03 | C04 | 179.5° | 180.0° |
| C01 | C02 | C07 | C06 | 179.7° | 179.7° |
| C01 | C02 | C07 | O08 | 1.2° | 0.0° |
| C02 | C01 | H12 | H13 | 120.0° | 120.0° |
| C02 | C01 | H12 | H14 | 120.0° | 119.9° |
| C02 | C01 | H13 | H14 | 120.0° | 120.0° |
| C01 | C02 | C03 | H15 | 0.5° | 0.1° |
| C02 | C03 | C04 | H15 | 180.0° | 179.9° |
| C02 | C03 | C04 | C05 | 0.9° | 0.0° |
| C02 | C03 | C04 | N46 | 179.0° | 180.0° |
| C03 | C02 | C07 | C06 | 0.2° | 0.6° |
| C03 | C02 | C07 | O08 | 178.7° | 179.7° |
| C03 | C02 | C01 | H12 | 90.0° | 90.0° |
| C03 | C02 | C01 | H13 | 150.1° | 150.0° |
| C03 | C02 | C01 | H14 | 30.1° | 29.9° |
| C07 | C02 | C03 | C04 | 0.6° | 0.3° |
| C02 | C07 | C06 | C05 | 0.6° | 0.6° |
| C02 | C07 | C06 | O08 | 178.5° | 179.7° |
| C02 | C07 | C06 | C45 | 179.9° | 179.7° |
| C02 | C07 | O08 | C09 | 82.8° | 90.0° |
| C07 | C02 | C01 | H12 | 89.9° | 90.4° |
| C07 | C02 | C01 | H13 | 30.0° | 29.7° |
| C07 | C02 | C01 | H14 | 150.0° | 149.7° |
| C07 | C02 | C03 | H15 | 179.5° | 179.7° |
| C03 | C04 | C05 | N46 | 178.0° | 180.0° |
| C03 | C04 | C05 | C06 | 0.5° | 0.0° |
| C03 | C04 | N46 | C47 | 129.1° | 0.0° |
| C03 | C04 | N46 | C48 | 47.6° | 180.0° |
| C03 | C04 | C05 | H16 | 179.5° | 180.0° |
| C04 | C05 | C06 | H16 | 180.0° | 179.9° |
| C04 | C05 | C06 | C07 | 0.2° | 0.3° |
| C04 | C05 | C06 | C45 | 179.7° | 180.0° |
| C05 | C04 | N46 | C47 | 48.9° | 180.0° |
| C05 | C04 | N46 | C48 | 134.3° | 0.0° |
| C05 | C04 | C03 | H15 | 179.1° | 180.0° |
| N46 | C04 | C05 | C06 | 178.6° | 180.0° |
| C04 | N46 | C47 | C48 | 176.7° | 180.0° |
| C04 | N46 | C48 | C49 | 166.2° | 90.0° |
| N46 | C04 | C03 | H15 | 1.0° | 0.0° |
| N46 | C04 | C05 | H16 | 1.5° | 0.0° |
| C04 | N46 | C47 | H43 | 180.0° | 90.0° |
| C04 | N46 | C47 | H44 | 60.0° | 150.0° |
| C04 | N46 | C47 | H45 | 60.0° | 30.0° |
| C04 | N46 | C48 | H46 | 72.9° | 150.1° |
| C04 | N46 | C48 | H47 | 45.3° | 30.0° |
| C05 | C06 | C07 | C45 | 179.5° | 179.7° |
| C05 | C06 | C07 | O08 | 179.1° | 179.7° |
| C05 | C06 | C45 | H40 | 89.8° | 90.0° |
| C05 | C06 | C45 | H41 | 150.3° | 150.0° |
| C05 | C06 | C45 | H42 | 30.2° | 30.0° |
| C06 | C07 | O08 | C09 | 95.6° | 89.8° |
| C07 | C06 | C05 | H16 | 179.8° | 179.8° |
| C07 | C06 | C45 | H40 | 89.7° | 89.7° |
| C07 | C06 | C45 | H41 | 30.2° | 30.3° |
| C07 | C06 | C45 | H42 | 150.3° | 150.3° |
| C45 | C06 | C07 | O08 | 1.4° | 0.0° |
| C45 | C06 | C05 | H16 | 0.3° | 0.1° |
| C06 | C45 | H40 | H41 | 120.0° | 120.0° |
| C06 | C45 | H40 | H42 | 120.0° | 120.1° |
| C06 | C45 | H41 | H42 | 120.0° | 120.0° |
| C07 | O08 | C09 | H17 | 73.8° | 60.0° |
| C07 | O08 | C09 | H18 | 45.9° | 60.0° |
| O08 | C09 | H17 | H18 | 119.4° | 120.0° |
| C15 | C14 | C13 | H1 | 52.8° | 55.0° |
| C14 | C15 | C16 | H2 | 0.5° | 0.2° |
| C14 | C15 | C20 | H6 | 0.3° | 0.0° |
| C15 | C14 | H20 | H21 | 119.2° | 120.0° |
| O30 | C29 | N31 | C32 | 1.5° | 0.1° |
| O30 | C29 | C28 | H11 | 166.6° | 141.8° |
| O30 | C29 | N31 | H23 | 178.5° | 180.0° |
| C29 | N31 | C32 | H23 | 180.0° | 179.9° |
| C29 | N31 | C32 | C33 | 151.7° | 155.0° |
| C29 | N31 | C32 | C40 | 92.4° | 89.3° |
| N31 | C29 | C28 | H11 | 16.2° | 38.2° |
| C29 | N31 | C32 | H24 | 32.4° | 32.8° |
| N31 | C32 | C33 | C40 | 120.8° | 118.9° |
| N31 | C32 | C33 | H24 | 119.7° | 122.1° |
| N31 | C32 | C40 | H24 | 125.3° | 122.1° |
| N31 | C32 | C33 | C34 | 149.0° | 145.3° |
| N31 | C32 | C33 | O41 | 31.1° | 27.0° |
| N31 | C32 | C40 | C35 | 133.7° | 136.1° |
| N31 | C32 | C40 | C39 | 47.3° | 43.9° |
| N31 | C32 | C33 | H25 | 92.8° | 96.5° |
| C33 | C32 | C40 | H24 | 119.5° | 119.0° |
| C32 | C33 | C34 | O41 | 118.1° | 118.3° |
| C32 | C33 | C34 | H25 | 118.0° | 118.2° |
| C32 | C33 | O41 | H25 | 123.1° | 123.5° |
| C32 | C33 | C34 | C35 | 27.0° | 26.4° |
| C33 | C32 | C40 | C35 | 18.5° | 17.2° |
| C33 | C32 | C40 | C39 | 162.5° | 162.8° |
| C33 | C32 | N31 | H23 | 28.3° | 24.9° |
| C32 | C33 | C34 | H26 | 146.2° | 145.3° |
| C32 | C33 | C34 | H27 | 92.2° | 92.5° |
| C32 | C33 | O41 | H32 | 180.0° | 180.0° |
| C40 | C32 | C33 | C34 | 28.2° | 26.4° |
| C40 | C32 | C33 | O41 | 89.7° | 91.9° |
| C32 | C40 | C35 | C34 | 1.0° | 0.0° |
| C32 | C40 | C35 | C36 | 179.9° | 180.0° |
| C32 | C40 | C35 | C39 | 179.1° | 180.0° |
| C32 | C40 | C39 | C38 | 179.4° | 179.9° |
| C40 | C32 | N31 | H23 | 87.6° | 90.8° |
| C40 | C32 | C33 | H25 | 146.4° | 144.6° |
| C32 | C40 | C39 | H31 | 0.5° | 0.0° |
| C34 | C33 | O41 | H25 | 123.2° | 123.5° |
| C33 | C34 | C35 | H26 | 119.2° | 119.0° |
| C33 | C34 | C35 | H27 | 119.2° | 119.0° |
| C33 | C34 | C35 | C36 | 162.1° | 162.8° |
| C33 | C34 | C35 | C40 | 16.8° | 17.2° |
| C34 | C33 | C32 | H24 | 91.2° | 92.6° |
| C33 | C34 | H26 | H27 | 122.2° | 122.2° |
| C34 | C33 | O41 | H32 | 66.3° | 67.0° |
| O41 | C33 | C34 | C35 | 91.1° | 91.9° |
| O41 | C33 | C32 | H24 | 150.9° | 149.1° |
| O41 | C33 | C34 | H26 | 28.1° | 27.0° |
| O41 | C33 | C34 | H27 | 149.7° | 149.2° |
| C34 | C35 | C36 | C40 | 178.8° | 179.9° |
| C34 | C35 | C36 | C37 | 178.9° | 179.9° |
| C34 | C35 | C40 | C39 | 179.8° | 180.0° |
| C35 | C34 | C33 | H25 | 145.0° | 144.6° |
| C35 | C34 | H26 | H27 | 122.2° | 122.0° |
| C34 | C35 | C36 | H28 | 1.1° | 0.0° |
| C35 | C36 | C37 | H28 | 180.0° | 179.9° |
| C35 | C36 | C37 | C38 | 0.9° | 0.1° |
| C36 | C35 | C40 | C39 | 0.8° | 0.0° |
| C36 | C35 | C34 | H26 | 42.9° | 43.8° |
| C36 | C35 | C34 | H27 | 78.7° | 78.2° |
| C35 | C36 | C37 | H29 | 179.1° | 180.0° |
| C40 | C35 | C36 | C37 | 0.1° | 0.0° |
| C35 | C40 | C39 | C38 | 0.5° | 0.0° |
| C35 | C40 | C32 | H24 | 101.0° | 101.8° |
| C40 | C35 | C34 | H26 | 136.0° | 136.2° |
| C40 | C35 | C34 | H27 | 102.4° | 101.8° |
| C40 | C35 | C36 | H28 | 179.9° | 179.9° |
| C35 | C40 | C39 | H31 | 179.5° | 180.0° |
| C36 | C37 | C38 | H29 | 180.0° | 179.9° |
| C36 | C37 | C38 | C39 | 1.1° | 0.1° |
| C36 | C37 | C38 | H30 | 178.9° | 180.0° |
| C37 | C38 | C39 | H30 | 180.0° | 179.9° |
| C37 | C38 | C39 | C40 | 0.4° | 0.0° |
| C38 | C37 | C36 | H28 | 179.1° | 180.0° |
| C37 | C38 | C39 | H31 | 179.6° | 179.9° |
| C38 | C39 | C40 | H31 | 180.0° | 179.9° |
| C39 | C38 | C37 | H29 | 178.9° | 180.0° |
| C39 | C40 | C32 | H24 | 78.0° | 78.2° |
| C40 | C39 | C38 | H30 | 179.6° | 179.9° |
| C47 | N46 | C48 | C49 | 17.2° | 90.0° |
| N46 | C47 | H43 | H44 | 120.0° | 120.0° |
| N46 | C47 | H43 | H45 | 120.0° | 120.0° |
| N46 | C47 | H44 | H45 | 120.0° | 120.0° |
| C47 | N46 | C48 | H46 | 103.7° | 29.9° |
| C47 | N46 | C48 | H47 | 138.1° | 150.0° |
| N46 | C48 | C49 | H46 | 120.9° | 119.9° |
| N46 | C48 | C49 | H47 | 120.9° | 120.1° |
| N46 | C48 | C49 | N50 | 155.7° | 179.9° |
| C48 | N46 | C47 | H43 | 3.3° | 90.0° |
| C48 | N46 | C47 | H44 | 123.3° | 30.0° |
| C48 | N46 | C47 | H45 | 116.7° | 150.0° |
| N46 | C48 | H46 | H47 | 117.2° | 120.1° |
| N46 | C48 | C49 | H48 | 84.1° | 60.1° |
| N46 | C48 | C49 | H49 | 35.6° | 60.0° |
| C48 | C49 | N50 | H48 | 120.1° | 120.0° |
| C48 | C49 | N50 | H49 | 120.1° | 120.0° |
| C48 | C49 | N50 | C51 | 91.8° | 66.0° |
| C48 | C49 | N50 | C52 | 143.2° | 170.0° |
| C49 | C48 | H46 | H47 | 117.2° | 120.0° |
| C48 | C49 | H48 | H49 | 119.5° | 120.0° |
| C49 | N50 | C51 | C52 | 126.8° | 124.0° |
| N50 | C49 | C48 | H46 | 34.8° | 60.0° |
| N50 | C49 | C48 | H47 | 83.4° | 60.0° |
| N50 | C49 | H48 | H49 | 119.6° | 120.0° |
| C49 | N50 | C51 | H51 | 180.0° | 60.0° |
| C49 | N50 | C51 | H52 | 60.0° | 179.9° |
| C49 | N50 | C51 | H53 | 60.0° | 60.0° |
| C49 | N50 | C52 | H54 | 180.0° | 60.0° |
| C49 | N50 | C52 | H55 | 60.0° | 180.0° |
| C49 | N50 | C52 | H56 | 60.0° | 59.9° |
| C51 | N50 | C49 | H48 | 148.0° | 54.0° |
| C51 | N50 | C49 | H49 | 28.3° | 174.0° |
| N50 | C51 | H51 | H52 | 120.0° | 120.0° |
| N50 | C51 | H51 | H53 | 120.0° | 120.1° |
| N50 | C51 | H52 | H53 | 120.0° | 120.1° |
| C51 | N50 | C52 | H54 | 55.4° | 176.1° |
| C51 | N50 | C52 | H55 | 175.4° | 56.1° |
| C51 | N50 | C52 | H56 | 64.6° | 64.0° |
| C52 | N50 | C49 | H48 | 23.1° | 70.0° |
| C52 | N50 | C49 | H49 | 96.6° | 50.0° |
| C52 | N50 | C51 | H51 | 53.2° | 64.0° |
| C52 | N50 | C51 | H52 | 66.8° | 56.0° |
| C52 | N50 | C51 | H53 | 173.1° | 176.0° |
| N50 | C52 | H54 | H55 | 120.0° | 120.1° |
| N50 | C52 | H54 | H56 | 120.0° | 119.9° |
| N50 | C52 | H55 | H56 | 120.0° | 120.0° |
| H1 | C13 | C21 | H7 | 72.1° | 65.0° |
| H1 | C13 | N12 | H19 | 156.5° | 145.0° |
| H1 | C13 | C14 | H20 | 173.1° | 175.0° |
| H1 | C13 | C14 | H21 | 67.4° | 65.0° |
| H2 | C16 | C17 | H3 | 0.1° | 0.3° |
| H3 | C17 | C18 | H4 | 0.4° | 0.1° |
| H4 | C18 | C19 | H5 | 0.7° | 0.1° |
| H5 | C19 | C20 | H6 | 0.6° | 0.1° |
| H7 | C21 | O44 | H39 | 130.0° | 180.0° |
| H8 | C25 | H9 | N24 | 122.7° | 123.4° |
| H11 | C28 | N24 | C25 | 163.0° | 122.0° |
| H12 | C01 | H13 | H14 | 120.0° | 120.0° |
| H23 | N31 | C32 | H24 | 147.6° | 147.1° |
| H24 | C32 | C33 | H25 | 26.9° | 25.5° |
| H25 | C33 | C34 | H26 | 95.8° | 96.5° |
| H25 | C33 | C34 | H27 | 25.8° | 25.6° |
| H25 | C33 | O41 | H32 | 56.9° | 56.5° |
| H28 | C36 | C37 | H29 | 0.9° | 0.1° |
| H29 | C37 | C38 | H30 | 1.1° | 0.1° |
| H30 | C38 | C39 | H31 | 0.4° | 0.0° |
| H33 | C42 | H34 | H35 | 120.0° | 120.0° |
| H36 | C43 | H37 | H38 | 120.0° | 119.9° |
| H40 | C45 | H41 | H42 | 120.0° | 120.0° |
| H43 | C47 | H44 | H45 | 120.0° | 120.0° |
| H46 | C48 | C49 | H48 | 155.0° | 180.0° |
| H46 | C48 | C49 | H49 | 85.3° | 59.9° |
| H47 | C48 | C49 | H48 | 36.8° | 60.0° |
| H47 | C48 | C49 | H49 | 156.5° | 180.0° |
| H51 | C51 | H52 | H53 | 120.0° | 120.0° |
| H54 | C52 | H55 | H56 | 120.0° | 119.9° |
