WYR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C23 | sing | 1.51Å | 1.61Å | |
| C22 | O21 | sing | 1.45Å | 1.47Å | |
| C03 | C02 | sing | 1.53Å | 1.56Å | |
| C23 | C28 | doub | 1.38Å | 1.42Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.43Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.42Å | Aromatic |
| O21 | C19 | sing | 1.35Å | 1.40Å | |
| C01 | C02 | sing | 1.53Å | 1.55Å | |
| C27 | C26 | doub | 1.38Å | 1.42Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.43Å | Aromatic |
| C02 | C04 | sing | 1.53Å | 1.58Å | |
| C26 | C25 | sing | 1.38Å | 1.42Å | Aromatic |
| O20 | C19 | doub | 1.22Å | 1.23Å | |
| C19 | N18 | sing | 1.35Å | 1.41Å | |
| C04 | C05 | sing | 1.53Å | 1.59Å | |
| N18 | C09 | sing | 1.47Å | 1.51Å | |
| C05 | N06 | sing | 1.47Å | 1.45Å | |
| C05 | C29 | sing | 1.51Å | 1.59Å | |
| N06 | C07 | sing | 1.35Å | 1.43Å | |
| C07 | O08 | doub | 1.21Å | 1.23Å | |
| C07 | C09 | sing | 1.51Å | 1.62Å | |
| C09 | C10 | sing | 1.53Å | 1.59Å | |
| C29 | N31 | sing | 1.35Å | 1.39Å | |
| C29 | O30 | doub | 1.21Å | 1.23Å | |
| N31 | C32 | sing | 1.46Å | 1.47Å | |
| O41 | C40 | sing | 1.43Å | 1.60Å | |
| C40 | C32 | sing | 1.53Å | 1.59Å | |
| C40 | C42 | sing | 1.51Å | 1.53Å | |
| C10 | C11 | sing | 1.51Å | 1.57Å | |
| O39 | C38 | doub | 1.21Å | 1.28Å | |
| C32 | C33 | sing | 1.53Å | 1.58Å | |
| C33 | C34 | sing | 1.53Å | 1.54Å | |
| C11 | C17 | doub | 1.38Å | 1.44Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.44Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.43Å | Aromatic |
| C34 | C38 | sing | 1.51Å | 1.49Å | |
| C34 | C35 | sing | 1.55Å | 1.54Å | |
| C38 | N37 | sing | 1.34Å | 1.39Å | |
| C12 | C13 | doub | 1.38Å | 1.44Å | Aromatic |
| C42 | N44 | sing | 1.35Å | 1.42Å | |
| C42 | O43 | doub | 1.21Å | 1.22Å | |
| C16 | C14 | doub | 1.38Å | 1.42Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.42Å | Aromatic |
| N44 | C45 | sing | 1.46Å | 1.51Å | |
| C14 | F15 | sing | 1.35Å | 1.36Å | |
| N37 | C36 | sing | 1.47Å | 1.51Å | |
| C35 | C36 | sing | 1.55Å | 1.51Å | |
| C47 | C45 | sing | 1.53Å | 1.55Å | |
| C45 | C46 | sing | 1.53Å | 1.58Å | |
| C32 | H1 | sing | 1.09Å | 1.10Å | |
| C33 | H2 | sing | 1.09Å | 1.10Å | |
| C33 | H3 | sing | 1.09Å | 1.10Å | |
| C34 | H4 | sing | 1.09Å | 1.10Å | |
| C35 | H5 | sing | 1.09Å | 1.10Å | |
| C35 | H6 | sing | 1.09Å | 1.10Å | |
| C36 | H7 | sing | 1.09Å | 1.10Å | |
| C36 | H8 | sing | 1.09Å | 1.10Å | |
| C40 | H9 | sing | 1.09Å | 1.10Å | |
| O41 | H10 | sing | 0.97Å | 0.95Å | |
| C45 | H11 | sing | 1.09Å | 1.10Å | |
| C46 | H12 | sing | 1.09Å | 1.10Å | |
| C46 | H13 | sing | 1.09Å | 1.10Å | |
| C46 | H14 | sing | 1.09Å | 1.10Å | |
| C47 | H15 | sing | 1.09Å | 1.10Å | |
| C47 | H16 | sing | 1.09Å | 1.10Å | |
| C47 | H17 | sing | 1.09Å | 1.10Å | |
| C01 | H18 | sing | 1.09Å | 1.10Å | |
| C01 | H19 | sing | 1.09Å | 1.10Å | |
| C01 | H20 | sing | 1.09Å | 1.10Å | |
| C02 | H21 | sing | 1.09Å | 1.10Å | |
| C03 | H22 | sing | 1.09Å | 1.10Å | |
| C03 | H23 | sing | 1.09Å | 1.10Å | |
| C03 | H24 | sing | 1.09Å | 1.10Å | |
| C04 | H25 | sing | 1.09Å | 1.10Å | |
| C04 | H26 | sing | 1.09Å | 1.10Å | |
| C05 | H27 | sing | 1.09Å | 1.10Å | |
| N06 | H28 | sing | 0.97Å | 1.00Å | |
| C09 | H29 | sing | 1.09Å | 1.10Å | |
| C10 | H30 | sing | 1.09Å | 1.10Å | |
| C10 | H31 | sing | 1.09Å | 1.10Å | |
| C12 | H32 | sing | 1.08Å | 1.08Å | |
| C13 | H33 | sing | 1.08Å | 1.08Å | |
| C16 | H34 | sing | 1.08Å | 1.08Å | |
| C17 | H35 | sing | 1.08Å | 1.08Å | |
| N18 | H36 | sing | 0.97Å | 1.00Å | |
| C22 | H37 | sing | 1.09Å | 1.10Å | |
| C22 | H38 | sing | 1.09Å | 1.10Å | |
| C24 | H39 | sing | 1.08Å | 1.08Å | |
| C25 | H40 | sing | 1.08Å | 1.08Å | |
| C26 | H41 | sing | 1.08Å | 1.08Å | |
| C27 | H42 | sing | 1.08Å | 1.08Å | |
| C28 | H43 | sing | 1.08Å | 1.08Å | |
| N31 | H44 | sing | 0.97Å | 1.00Å | |
| N37 | H45 | sing | 0.97Å | 1.00Å | |
| N44 | H46 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C22 | O21 | 115.8° | 109.5° |
| C22 | C23 | C28 | 121.9° | 120.0° |
| C22 | C23 | C24 | 120.9° | 120.0° |
| C23 | C22 | H37 | 107.9° | 109.5° |
| C23 | C22 | H38 | 107.9° | 109.5° |
| C22 | O21 | C19 | 121.2° | 117.0° |
| O21 | C22 | H37 | 107.9° | 109.4° |
| O21 | C22 | H38 | 107.9° | 109.4° |
| C03 | C02 | C01 | 111.2° | 109.5° |
| C03 | C02 | C04 | 114.7° | 109.5° |
| C03 | C02 | H21 | 106.6° | 109.5° |
| C02 | C03 | H22 | 109.5° | 109.5° |
| C02 | C03 | H23 | 109.5° | 109.4° |
| C02 | C03 | H24 | 109.5° | 109.4° |
| C28 | C23 | C24 | 117.2° | 120.0° |
| C23 | C28 | C27 | 122.0° | 120.0° |
| C23 | C28 | H43 | 119.0° | 120.0° |
| C23 | C24 | C25 | 121.3° | 120.0° |
| C23 | C24 | H39 | 119.4° | 120.0° |
| C28 | C27 | C26 | 120.1° | 120.0° |
| C28 | C27 | H42 | 119.9° | 120.0° |
| C27 | C28 | H43 | 119.0° | 120.0° |
| O21 | C19 | O20 | 116.6° | 120.0° |
| O21 | C19 | N18 | 122.4° | 120.0° |
| C01 | C02 | C04 | 110.8° | 109.5° |
| C02 | C01 | H18 | 109.5° | 109.5° |
| C02 | C01 | H19 | 109.5° | 109.5° |
| C02 | C01 | H20 | 109.5° | 109.4° |
| C01 | C02 | H21 | 106.7° | 109.5° |
| C27 | C26 | C25 | 119.2° | 120.0° |
| C27 | C26 | H41 | 120.4° | 120.0° |
| C26 | C27 | H42 | 120.0° | 120.0° |
| C24 | C25 | C26 | 120.2° | 120.0° |
| C25 | C24 | H39 | 119.3° | 120.0° |
| C24 | C25 | H40 | 119.9° | 120.0° |
| C02 | C04 | C05 | 117.3° | 109.5° |
| C04 | C02 | H21 | 106.4° | 109.5° |
| C02 | C04 | H25 | 107.5° | 109.5° |
| C02 | C04 | H26 | 107.5° | 109.5° |
| C26 | C25 | H40 | 119.9° | 120.0° |
| C25 | C26 | H41 | 120.4° | 120.0° |
| O20 | C19 | N18 | 121.0° | 120.0° |
| C19 | N18 | C09 | 121.4° | 120.0° |
| C19 | N18 | H36 | 119.3° | 120.0° |
| C04 | C05 | N06 | 112.7° | 109.5° |
| C04 | C05 | C29 | 106.6° | 109.5° |
| C05 | C04 | H25 | 107.5° | 109.5° |
| C05 | C04 | H26 | 107.5° | 109.4° |
| C04 | C05 | H27 | 108.1° | 109.5° |
| N18 | C09 | C07 | 112.5° | 109.4° |
| N18 | C09 | C10 | 110.5° | 109.5° |
| N18 | C09 | H29 | 108.4° | 109.5° |
| C09 | N18 | H36 | 119.3° | 120.0° |
| N06 | C05 | C29 | 111.2° | 109.4° |
| C05 | N06 | C07 | 122.0° | 120.0° |
| N06 | C05 | H27 | 109.9° | 109.5° |
| C05 | N06 | H28 | 119.0° | 120.0° |
| C05 | C29 | N31 | 124.1° | 120.0° |
| C05 | C29 | O30 | 115.5° | 120.0° |
| C29 | C05 | H27 | 108.1° | 109.5° |
| N06 | C07 | O08 | 120.1° | 120.0° |
| N06 | C07 | C09 | 122.3° | 120.0° |
| C07 | N06 | H28 | 119.0° | 120.1° |
| O08 | C07 | C09 | 117.6° | 120.0° |
| C07 | C09 | C10 | 110.7° | 109.4° |
| C07 | C09 | H29 | 107.1° | 109.4° |
| C09 | C10 | C11 | 114.8° | 109.4° |
| C10 | C09 | H29 | 107.4° | 109.5° |
| C09 | C10 | H30 | 108.1° | 109.5° |
| C09 | C10 | H31 | 108.1° | 109.5° |
| N31 | C29 | O30 | 120.3° | 120.0° |
| C29 | N31 | C32 | 125.1° | 120.0° |
| C29 | N31 | H44 | 117.5° | 120.0° |
| N31 | C32 | C40 | 107.6° | 109.5° |
| N31 | C32 | C33 | 114.1° | 109.5° |
| N31 | C32 | H1 | 108.7° | 109.4° |
| C32 | N31 | H44 | 117.4° | 120.0° |
| O41 | C40 | C32 | 107.5° | 109.4° |
| O41 | C40 | C42 | 105.3° | 109.5° |
| O41 | C40 | H9 | 111.4° | 109.5° |
| C40 | O41 | H10 | 109.5° | 114.0° |
| C32 | C40 | C42 | 108.1° | 109.5° |
| C40 | C32 | C33 | 111.6° | 109.5° |
| C40 | C32 | H1 | 107.3° | 109.5° |
| C32 | C40 | H9 | 111.6° | 109.5° |
| C40 | C42 | N44 | 121.5° | 120.0° |
| C40 | C42 | O43 | 114.0° | 120.0° |
| C42 | C40 | H9 | 112.5° | 109.5° |
| C10 | C11 | C17 | 121.2° | 120.0° |
| C10 | C11 | C12 | 122.3° | 120.0° |
| C11 | C10 | H30 | 108.1° | 109.5° |
| C11 | C10 | H31 | 108.1° | 109.4° |
| O39 | C38 | C34 | 118.0° | 125.0° |
| O39 | C38 | N37 | 130.9° | 125.0° |
| C32 | C33 | C34 | 113.0° | 109.5° |
| C33 | C32 | H1 | 107.4° | 109.5° |
| C32 | C33 | H2 | 108.6° | 109.5° |
| C32 | C33 | H3 | 108.6° | 109.5° |
| C33 | C34 | C38 | 114.0° | 110.5° |
| C33 | C34 | C35 | 115.7° | 110.5° |
| C34 | C33 | H2 | 108.6° | 109.4° |
| C34 | C33 | H3 | 108.6° | 109.4° |
| C33 | C34 | H4 | 107.9° | 110.4° |
| C17 | C11 | C12 | 116.5° | 120.0° |
| C11 | C17 | C16 | 122.5° | 120.0° |
| C11 | C17 | H35 | 118.7° | 120.0° |
| C11 | C12 | C13 | 122.2° | 120.1° |
| C11 | C12 | H32 | 118.9° | 119.9° |
| C17 | C16 | C14 | 119.1° | 120.0° |
| C17 | C16 | H34 | 120.4° | 120.0° |
| C16 | C17 | H35 | 118.8° | 120.0° |
| C38 | C34 | C35 | 102.6° | 104.2° |
| C34 | C38 | N37 | 111.0° | 110.1° |
| C38 | C34 | H4 | 108.5° | 110.5° |
| C34 | C35 | C36 | 107.9° | 101.7° |
| C35 | C34 | H4 | 107.8° | 110.6° |
| C34 | C35 | H5 | 109.9° | 111.0° |
| C34 | C35 | H6 | 109.9° | 111.0° |
| C38 | N37 | C36 | 111.0° | 111.3° |
| C38 | N37 | H45 | 124.5° | 124.3° |
| C12 | C13 | C14 | 118.9° | 119.9° |
| C13 | C12 | H32 | 118.9° | 120.0° |
| C12 | C13 | H33 | 120.6° | 120.0° |
| N44 | C42 | O43 | 124.5° | 120.0° |
| C42 | N44 | C45 | 126.6° | 120.0° |
| C42 | N44 | H46 | 116.7° | 120.0° |
| C16 | C14 | C13 | 120.8° | 120.0° |
| C16 | C14 | F15 | 119.2° | 120.0° |
| C14 | C16 | H34 | 120.5° | 120.0° |
| C13 | C14 | F15 | 120.0° | 120.0° |
| C14 | C13 | H33 | 120.5° | 120.0° |
| N44 | C45 | C47 | 110.6° | 109.5° |
| N44 | C45 | C46 | 112.3° | 109.5° |
| N44 | C45 | H11 | 108.5° | 109.5° |
| C45 | N44 | H46 | 116.7° | 120.0° |
| N37 | C36 | C35 | 103.0° | 105.5° |
| N37 | C36 | H7 | 111.1° | 110.2° |
| N37 | C36 | H8 | 111.1° | 110.3° |
| C36 | N37 | H45 | 124.5° | 124.4° |
| C36 | C35 | H5 | 109.9° | 110.9° |
| C36 | C35 | H6 | 109.9° | 111.0° |
| C35 | C36 | H7 | 111.1° | 110.3° |
| C35 | C36 | H8 | 111.1° | 110.3° |
| C47 | C45 | C46 | 109.8° | 109.5° |
| C47 | C45 | H11 | 107.9° | 109.5° |
| C45 | C47 | H15 | 109.5° | 109.5° |
| C45 | C47 | H16 | 109.4° | 109.5° |
| C45 | C47 | H17 | 109.5° | 109.5° |
| C46 | C45 | H11 | 107.6° | 109.4° |
| C45 | C46 | H12 | 109.5° | 109.5° |
| C45 | C46 | H13 | 109.5° | 109.5° |
| C45 | C46 | H14 | 109.5° | 109.4° |
| H2 | C33 | H3 | 109.5° | 109.5° |
| H5 | C35 | H6 | 109.5° | 110.9° |
| H7 | C36 | H8 | 109.5° | 110.2° |
| H12 | C46 | H13 | 109.5° | 109.5° |
| H12 | C46 | H14 | 109.5° | 109.4° |
| H13 | C46 | H14 | 109.5° | 109.5° |
| H15 | C47 | H16 | 109.5° | 109.4° |
| H15 | C47 | H17 | 109.5° | 109.5° |
| H16 | C47 | H17 | 109.5° | 109.4° |
| H18 | C01 | H19 | 109.5° | 109.5° |
| H18 | C01 | H20 | 109.5° | 109.5° |
| H19 | C01 | H20 | 109.4° | 109.5° |
| H22 | C03 | H23 | 109.5° | 109.5° |
| H22 | C03 | H24 | 109.4° | 109.5° |
| H23 | C03 | H24 | 109.5° | 109.5° |
| H25 | C04 | H26 | 109.5° | 109.4° |
| H30 | C10 | H31 | 109.5° | 109.4° |
| H37 | C22 | H38 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C22 | O21 | H37 | 120.9° | 120.0° |
| C23 | C22 | O21 | H38 | 120.9° | 120.1° |
| C22 | C23 | C28 | C24 | 179.5° | 179.8° |
| C22 | C23 | C28 | C27 | 179.5° | 179.7° |
| C23 | C22 | O21 | C19 | 64.3° | 180.0° |
| C22 | C23 | C24 | C25 | 179.4° | 180.0° |
| C23 | C22 | H37 | H38 | 117.1° | 120.1° |
| C22 | C23 | C24 | H39 | 0.6° | 0.0° |
| C22 | C23 | C28 | H43 | 0.5° | 0.0° |
| O21 | C22 | C23 | C28 | 87.0° | 90.0° |
| O21 | C22 | C23 | C24 | 93.5° | 89.8° |
| C22 | O21 | C19 | O20 | 23.3° | 0.0° |
| C22 | O21 | C19 | N18 | 156.4° | 180.0° |
| O21 | C22 | H37 | H38 | 117.1° | 119.9° |
| C03 | C02 | C01 | C04 | 128.8° | 120.0° |
| C03 | C02 | C01 | H21 | 115.8° | 120.0° |
| C03 | C02 | C04 | H21 | 117.6° | 120.0° |
| C03 | C02 | C04 | C05 | 12.9° | 175.9° |
| C03 | C02 | C01 | H18 | 180.0° | 174.3° |
| C03 | C02 | C01 | H19 | 60.0° | 65.7° |
| C03 | C02 | C01 | H20 | 60.0° | 54.3° |
| C02 | C03 | H22 | H23 | 120.0° | 119.9° |
| C02 | C03 | H22 | H24 | 120.0° | 120.0° |
| C02 | C03 | H23 | H24 | 120.0° | 119.9° |
| C03 | C02 | C04 | H25 | 134.0° | 55.8° |
| C03 | C02 | C04 | H26 | 108.2° | 64.1° |
| C23 | C28 | C27 | H43 | 180.0° | 179.7° |
| C23 | C28 | C27 | C26 | 0.1° | 0.5° |
| C28 | C23 | C24 | C25 | 0.1° | 0.3° |
| C28 | C23 | C22 | H37 | 33.9° | 30.0° |
| C28 | C23 | C22 | H38 | 152.1° | 150.0° |
| C28 | C23 | C24 | H39 | 179.9° | 179.8° |
| C23 | C28 | C27 | H42 | 179.9° | 179.7° |
| C24 | C23 | C28 | C27 | 0.0° | 0.5° |
| C23 | C24 | C25 | H39 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.2° | 0.0° |
| C24 | C23 | C22 | H37 | 145.6° | 150.3° |
| C24 | C23 | C22 | H38 | 27.4° | 30.2° |
| C23 | C24 | C25 | H40 | 179.8° | 180.0° |
| C24 | C23 | C28 | H43 | 180.0° | 179.7° |
| C28 | C27 | C26 | H42 | 180.0° | 179.7° |
| C28 | C27 | C26 | C25 | 0.2° | 0.3° |
| C28 | C27 | C26 | H41 | 179.8° | 179.7° |
| O21 | C19 | O20 | N18 | 179.7° | 180.0° |
| O21 | C19 | N18 | C09 | 165.5° | 180.0° |
| O21 | C19 | N18 | H36 | 14.5° | 0.0° |
| C19 | O21 | C22 | H37 | 174.8° | 60.0° |
| C19 | O21 | C22 | H38 | 56.6° | 59.9° |
| C01 | C02 | C04 | H21 | 115.6° | 120.0° |
| C01 | C02 | C04 | C05 | 139.7° | 64.1° |
| C02 | C01 | H18 | H19 | 120.0° | 120.0° |
| C02 | C01 | H18 | H20 | 120.0° | 120.0° |
| C02 | C01 | H19 | H20 | 120.0° | 120.0° |
| C01 | C02 | C03 | H22 | 180.0° | 60.0° |
| C01 | C02 | C03 | H23 | 60.0° | 180.0° |
| C01 | C02 | C03 | H24 | 60.0° | 60.0° |
| C01 | C02 | C04 | H25 | 99.1° | 175.8° |
| C01 | C02 | C04 | H26 | 18.6° | 55.9° |
| C27 | C26 | C25 | C24 | 0.3° | 0.0° |
| C27 | C26 | C25 | H41 | 180.0° | 180.0° |
| C27 | C26 | C25 | H40 | 179.8° | 180.0° |
| C26 | C27 | C28 | H43 | 179.9° | 179.7° |
| C24 | C25 | C26 | H40 | 180.0° | 180.0° |
| C24 | C25 | C26 | H41 | 179.8° | 180.0° |
| C02 | C04 | C05 | H25 | 121.1° | 120.1° |
| C02 | C04 | C05 | H26 | 121.1° | 120.0° |
| C02 | C04 | C05 | N06 | 98.7° | 176.8° |
| C02 | C04 | C05 | C29 | 139.0° | 63.2° |
| C04 | C02 | C01 | H18 | 51.2° | 65.7° |
| C04 | C02 | C01 | H19 | 171.3° | 54.3° |
| C04 | C02 | C01 | H20 | 68.8° | 174.3° |
| C04 | C02 | C03 | H22 | 53.4° | 60.0° |
| C04 | C02 | C03 | H23 | 66.6° | 60.0° |
| C04 | C02 | C03 | H24 | 173.3° | 180.0° |
| C02 | C04 | H25 | H26 | 116.5° | 120.0° |
| C02 | C04 | C05 | H27 | 23.0° | 56.8° |
| C26 | C25 | C24 | H39 | 179.8° | 180.0° |
| C25 | C26 | C27 | H42 | 179.8° | 180.0° |
| O20 | C19 | N18 | C09 | 14.9° | 0.1° |
| O20 | C19 | N18 | H36 | 165.1° | 180.0° |
| C19 | N18 | C09 | H36 | 180.0° | 179.9° |
| C19 | N18 | C09 | C07 | 91.6° | 155.0° |
| C19 | N18 | C09 | C10 | 144.1° | 85.0° |
| C19 | N18 | C09 | H29 | 26.7° | 35.1° |
| C04 | C05 | N06 | C29 | 119.7° | 120.0° |
| C04 | C05 | N06 | H27 | 120.7° | 120.1° |
| C04 | C05 | C29 | H27 | 116.0° | 120.1° |
| C04 | C05 | N06 | C07 | 178.7° | 88.2° |
| C04 | C05 | C29 | N31 | 110.0° | 80.4° |
| C04 | C05 | C29 | O30 | 71.8° | 99.6° |
| C05 | C04 | C02 | H21 | 104.7° | 55.9° |
| C05 | C04 | H25 | H26 | 116.5° | 120.0° |
| C04 | C05 | N06 | H28 | 1.3° | 91.8° |
| N18 | C09 | C07 | N06 | 108.8° | 180.0° |
| N18 | C09 | C07 | O08 | 71.6° | 0.0° |
| N18 | C09 | C07 | C10 | 124.1° | 120.0° |
| N18 | C09 | C07 | H29 | 119.0° | 120.0° |
| N18 | C09 | C10 | H29 | 118.0° | 120.1° |
| N18 | C09 | C10 | C11 | 85.3° | 65.0° |
| N18 | C09 | C10 | H30 | 35.5° | 55.0° |
| N18 | C09 | C10 | H31 | 153.9° | 175.0° |
| N06 | C05 | C29 | H27 | 120.7° | 120.0° |
| C05 | N06 | C07 | H28 | 180.0° | 180.0° |
| C05 | N06 | C07 | O08 | 1.1° | 5.0° |
| C05 | N06 | C07 | C09 | 178.5° | 175.0° |
| N06 | C05 | C29 | N31 | 126.8° | 159.6° |
| N06 | C05 | C29 | O30 | 51.5° | 20.4° |
| N06 | C05 | C04 | H25 | 140.2° | 63.1° |
| N06 | C05 | C04 | H26 | 22.4° | 56.9° |
| C29 | C05 | N06 | C07 | 59.0° | 151.8° |
| C05 | C29 | N31 | O30 | 178.2° | 180.0° |
| C05 | C29 | N31 | C32 | 178.6° | 174.6° |
| C29 | C05 | C04 | H25 | 17.9° | 56.8° |
| C29 | C05 | C04 | H26 | 99.9° | 176.8° |
| C29 | C05 | N06 | H28 | 121.0° | 28.2° |
| C05 | C29 | N31 | H44 | 1.4° | 5.4° |
| N06 | C07 | O08 | C09 | 179.6° | 180.0° |
| N06 | C07 | C09 | C10 | 127.0° | 60.0° |
| C07 | N06 | C05 | H27 | 60.7° | 31.8° |
| N06 | C07 | C09 | H29 | 10.2° | 60.0° |
| O08 | C07 | C09 | C10 | 52.5° | 120.0° |
| O08 | C07 | N06 | H28 | 178.9° | 174.9° |
| O08 | C07 | C09 | H29 | 169.4° | 120.0° |
| C07 | C09 | C10 | H29 | 116.7° | 120.0° |
| C07 | C09 | C10 | C11 | 149.4° | 175.0° |
| C09 | C07 | N06 | H28 | 1.5° | 5.1° |
| C07 | C09 | C10 | H30 | 89.8° | 65.0° |
| C07 | C09 | C10 | H31 | 28.6° | 55.0° |
| C07 | C09 | N18 | H36 | 88.4° | 25.0° |
| C09 | C10 | C11 | H30 | 120.8° | 120.0° |
| C09 | C10 | C11 | H31 | 120.8° | 120.0° |
| C09 | C10 | C11 | C17 | 57.3° | 90.0° |
| C09 | C10 | C11 | C12 | 122.4° | 89.7° |
| C09 | C10 | H30 | H31 | 117.6° | 120.1° |
| C10 | C09 | N18 | H36 | 35.9° | 94.9° |
| C29 | N31 | C32 | H44 | 180.0° | 180.0° |
| C29 | N31 | C32 | C40 | 110.1° | 151.0° |
| C29 | N31 | C32 | C33 | 125.5° | 89.0° |
| C29 | N31 | C32 | H1 | 5.7° | 31.0° |
| N31 | C29 | C05 | H27 | 6.1° | 39.7° |
| O30 | C29 | N31 | C32 | 3.2° | 5.4° |
| O30 | C29 | C05 | H27 | 172.2° | 140.4° |
| O30 | C29 | N31 | H44 | 176.8° | 174.6° |
| N31 | C32 | C40 | O41 | 33.9° | 60.0° |
| N31 | C32 | C40 | C33 | 125.8° | 120.0° |
| N31 | C32 | C40 | H1 | 116.8° | 120.0° |
| N31 | C32 | C40 | C42 | 147.1° | 60.0° |
| N31 | C32 | C33 | H1 | 120.6° | 119.9° |
| N31 | C32 | C33 | C34 | 66.1° | 174.7° |
| N31 | C32 | C33 | H2 | 54.5° | 54.7° |
| N31 | C32 | C33 | H3 | 173.4° | 65.4° |
| N31 | C32 | C40 | H9 | 88.6° | 180.0° |
| O41 | C40 | C32 | C42 | 113.3° | 120.0° |
| O41 | C40 | C32 | H9 | 122.5° | 120.0° |
| O41 | C40 | C42 | H9 | 121.6° | 120.0° |
| O41 | C40 | C32 | C33 | 159.7° | 60.0° |
| O41 | C40 | C42 | N44 | 20.0° | 175.0° |
| O41 | C40 | C42 | O43 | 160.9° | 5.0° |
| O41 | C40 | C32 | H1 | 82.9° | 180.0° |
| C32 | C40 | C42 | H9 | 123.7° | 120.0° |
| C40 | C32 | C33 | H1 | 117.3° | 120.0° |
| C40 | C32 | C33 | C34 | 171.8° | 65.3° |
| C32 | C40 | C42 | N44 | 94.7° | 65.0° |
| C32 | C40 | C42 | O43 | 84.4° | 115.0° |
| C40 | C32 | C33 | H2 | 67.7° | 174.8° |
| C40 | C32 | C33 | H3 | 51.2° | 54.7° |
| C32 | C40 | O41 | H10 | 180.0° | 60.0° |
| C40 | C32 | N31 | H44 | 69.9° | 29.1° |
| C42 | C40 | C32 | C33 | 87.0° | 180.0° |
| C40 | C42 | N44 | O43 | 179.0° | 180.0° |
| C40 | C42 | N44 | C45 | 179.1° | 180.0° |
| C42 | C40 | C32 | H1 | 30.3° | 60.0° |
| C42 | C40 | O41 | H10 | 64.9° | 60.0° |
| C40 | C42 | N44 | H46 | 0.9° | 0.0° |
| C10 | C11 | C17 | C12 | 179.7° | 179.7° |
| C10 | C11 | C17 | C16 | 179.7° | 179.8° |
| C10 | C11 | C12 | C13 | 179.9° | 180.0° |
| C11 | C10 | C09 | H29 | 32.7° | 55.0° |
| C11 | C10 | H30 | H31 | 117.6° | 119.9° |
| C10 | C11 | C12 | H32 | 0.1° | 0.0° |
| C10 | C11 | C17 | H35 | 0.3° | 0.0° |
| O39 | C38 | C34 | C33 | 42.4° | 77.6° |
| O39 | C38 | C34 | N37 | 179.4° | 180.0° |
| O39 | C38 | C34 | C35 | 168.1° | 163.7° |
| O39 | C38 | N37 | C36 | 179.2° | 179.6° |
| O39 | C38 | C34 | H4 | 77.9° | 44.9° |
| O39 | C38 | N37 | H45 | 0.8° | 0.3° |
| C32 | C33 | C34 | H2 | 120.5° | 120.0° |
| C32 | C33 | C34 | H3 | 120.5° | 120.0° |
| C32 | C33 | C34 | C38 | 167.5° | 65.3° |
| C32 | C33 | C34 | C35 | 73.9° | 179.9° |
| C32 | C33 | H2 | H3 | 118.4° | 120.1° |
| C32 | C33 | C34 | H4 | 46.9° | 57.2° |
| C33 | C32 | C40 | H9 | 37.2° | 60.0° |
| C33 | C32 | N31 | H44 | 54.5° | 91.0° |
| C33 | C34 | C38 | C35 | 125.8° | 118.7° |
| C33 | C34 | C38 | H4 | 120.3° | 122.5° |
| C33 | C34 | C35 | H4 | 120.9° | 122.5° |
| C33 | C34 | C38 | N37 | 138.2° | 102.5° |
| C33 | C34 | C35 | C36 | 145.1° | 93.9° |
| C34 | C33 | C32 | H1 | 54.5° | 54.7° |
| C34 | C33 | H2 | H3 | 118.4° | 119.9° |
| C33 | C34 | C35 | H5 | 25.3° | 24.2° |
| C33 | C34 | C35 | H6 | 95.2° | 148.0° |
| C11 | C17 | C16 | H35 | 180.0° | 179.8° |
| C17 | C11 | C12 | C13 | 0.2° | 0.2° |
| C11 | C17 | C16 | C14 | 0.1° | 0.5° |
| C17 | C11 | C10 | H30 | 178.1° | 30.0° |
| C17 | C11 | C10 | H31 | 63.5° | 150.0° |
| C17 | C11 | C12 | H32 | 179.8° | 179.8° |
| C11 | C17 | C16 | H34 | 179.9° | 179.8° |
| C12 | C11 | C17 | C16 | 0.0° | 0.5° |
| C11 | C12 | C13 | H32 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.2° | 0.1° |
| C12 | C11 | C10 | H30 | 1.6° | 150.3° |
| C12 | C11 | C10 | H31 | 116.9° | 30.3° |
| C11 | C12 | C13 | H33 | 179.7° | 179.9° |
| C12 | C11 | C17 | H35 | 180.0° | 179.7° |
| C17 | C16 | C14 | H34 | 180.0° | 179.8° |
| C17 | C16 | C14 | C13 | 0.1° | 0.2° |
| C17 | C16 | C14 | F15 | 179.9° | 179.7° |
| C38 | C34 | C35 | H4 | 114.4° | 118.7° |
| C34 | C38 | N37 | C36 | 0.1° | 0.4° |
| C38 | C34 | C35 | C36 | 20.4° | 24.8° |
| C38 | C34 | C33 | H2 | 47.0° | 54.8° |
| C38 | C34 | C33 | H3 | 72.0° | 174.8° |
| C38 | C34 | C35 | H5 | 99.4° | 142.9° |
| C38 | C34 | C35 | H6 | 140.2° | 93.3° |
| C34 | C38 | N37 | H45 | 179.9° | 179.6° |
| C35 | C34 | C38 | N37 | 12.5° | 16.3° |
| C34 | C35 | C36 | N37 | 20.4° | 25.4° |
| C34 | C35 | C36 | H5 | 119.8° | 118.1° |
| C34 | C35 | C36 | H6 | 119.8° | 118.1° |
| C35 | C34 | C33 | H2 | 165.5° | 60.1° |
| C35 | C34 | C33 | H3 | 46.6° | 59.9° |
| C34 | C35 | H5 | H6 | 120.7° | 123.8° |
| C34 | C35 | C36 | H7 | 98.6° | 93.6° |
| C34 | C35 | C36 | H8 | 139.4° | 144.5° |
| C38 | N37 | C36 | H45 | 180.0° | 180.0° |
| C38 | N37 | C36 | C35 | 12.9° | 17.0° |
| N37 | C38 | C34 | H4 | 101.5° | 135.1° |
| C38 | N37 | C36 | H7 | 106.0° | 102.0° |
| C38 | N37 | C36 | H8 | 131.9° | 136.1° |
| C12 | C13 | C14 | C16 | 0.1° | 0.1° |
| C12 | C13 | C14 | H33 | 180.0° | 179.9° |
| C12 | C13 | C14 | F15 | 180.0° | 180.0° |
| C42 | N44 | C45 | H46 | 180.0° | 180.0° |
| C42 | N44 | C45 | C47 | 145.0° | 155.0° |
| C42 | N44 | C45 | C46 | 92.0° | 85.0° |
| N44 | C42 | C40 | H9 | 141.6° | 55.0° |
| C42 | N44 | C45 | H11 | 26.8° | 34.9° |
| O43 | C42 | N44 | C45 | 0.1° | 0.0° |
| O43 | C42 | C40 | H9 | 39.3° | 125.0° |
| O43 | C42 | N44 | H46 | 179.9° | 180.0° |
| C16 | C14 | C13 | F15 | 179.9° | 179.9° |
| C16 | C14 | C13 | H33 | 179.9° | 180.0° |
| C14 | C16 | C17 | H35 | 179.9° | 179.7° |
| C14 | C13 | C12 | H32 | 179.8° | 179.9° |
| C13 | C14 | C16 | H34 | 179.9° | 179.9° |
| N44 | C45 | C47 | C46 | 124.5° | 120.0° |
| N44 | C45 | C47 | H11 | 118.5° | 120.0° |
| N44 | C45 | C46 | H11 | 119.3° | 120.0° |
| N44 | C45 | C46 | H12 | 180.0° | 180.0° |
| N44 | C45 | C46 | H13 | 60.0° | 60.0° |
| N44 | C45 | C46 | H14 | 60.0° | 60.0° |
| N44 | C45 | C47 | H15 | 180.0° | 60.0° |
| N44 | C45 | C47 | H16 | 60.0° | 60.0° |
| N44 | C45 | C47 | H17 | 60.0° | 180.0° |
| F15 | C14 | C13 | H33 | 0.0° | 0.1° |
| F15 | C14 | C16 | H34 | 0.1° | 0.1° |
| N37 | C36 | C35 | H7 | 118.9° | 119.0° |
| N37 | C36 | C35 | H8 | 119.0° | 119.0° |
| N37 | C36 | C35 | H5 | 99.4° | 143.5° |
| N37 | C36 | C35 | H6 | 140.2° | 92.7° |
| N37 | C36 | H7 | H8 | 123.0° | 122.0° |
| C36 | C35 | C34 | H4 | 94.0° | 143.6° |
| C36 | C35 | H5 | H6 | 120.7° | 123.8° |
| C35 | C36 | H7 | H8 | 123.0° | 122.0° |
| C35 | C36 | N37 | H45 | 167.1° | 163.0° |
| C47 | C45 | C46 | H11 | 117.2° | 120.0° |
| C47 | C45 | C46 | H12 | 56.5° | 60.0° |
| C47 | C45 | C46 | H13 | 63.5° | 180.0° |
| C47 | C45 | C46 | H14 | 176.5° | 60.0° |
| C45 | C47 | H15 | H16 | 120.0° | 120.0° |
| C45 | C47 | H15 | H17 | 120.0° | 120.1° |
| C45 | C47 | H16 | H17 | 120.0° | 120.1° |
| C47 | C45 | N44 | H46 | 35.0° | 25.0° |
| C45 | C46 | H12 | H13 | 120.0° | 120.0° |
| C45 | C46 | H12 | H14 | 120.0° | 120.0° |
| C45 | C46 | H13 | H14 | 120.0° | 120.0° |
| C46 | C45 | C47 | H15 | 55.6° | 60.0° |
| C46 | C45 | C47 | H16 | 175.6° | 180.0° |
| C46 | C45 | C47 | H17 | 64.5° | 60.0° |
| C46 | C45 | N44 | H46 | 88.0° | 95.0° |
| H1 | C32 | C33 | H2 | 175.0° | 65.2° |
| H1 | C32 | C33 | H3 | 66.0° | 174.7° |
| H1 | C32 | C40 | H9 | 154.6° | 60.0° |
| H1 | C32 | N31 | H44 | 174.3° | 149.1° |
| H2 | C33 | C34 | H4 | 73.6° | 177.3° |
| H3 | C33 | C34 | H4 | 167.4° | 62.7° |
| H4 | C34 | C35 | H5 | 146.2° | 98.4° |
| H4 | C34 | C35 | H6 | 25.7° | 25.4° |
| H5 | C35 | C36 | H7 | 141.7° | 24.5° |
| H5 | C35 | C36 | H8 | 19.6° | 97.4° |
| H6 | C35 | C36 | H7 | 21.2° | 148.3° |
| H6 | C35 | C36 | H8 | 100.9° | 26.4° |
| H7 | C36 | N37 | H45 | 74.0° | 78.0° |
| H8 | C36 | N37 | H45 | 48.1° | 44.0° |
| H9 | C40 | O41 | H10 | 57.4° | 180.0° |
| H11 | C45 | C46 | H12 | 60.7° | 60.1° |
| H11 | C45 | C46 | H13 | 179.3° | 60.0° |
| H11 | C45 | C46 | H14 | 59.3° | 180.0° |
| H11 | C45 | C47 | H15 | 61.5° | 180.0° |
| H11 | C45 | C47 | H16 | 58.5° | 60.0° |
| H11 | C45 | C47 | H17 | 178.5° | 60.0° |
| H11 | C45 | N44 | H46 | 153.1° | 145.0° |
| H12 | C46 | H13 | H14 | 120.0° | 120.0° |
| H15 | C47 | H16 | H17 | 120.0° | 119.9° |
| H18 | C01 | H19 | H20 | 120.0° | 120.0° |
| H18 | C01 | C02 | H21 | 64.1° | 54.3° |
| H19 | C01 | C02 | H21 | 55.9° | 174.3° |
| H20 | C01 | C02 | H21 | 175.8° | 65.7° |
| H21 | C02 | C03 | H22 | 64.1° | 180.0° |
| H21 | C02 | C03 | H23 | 175.9° | 60.0° |
| H21 | C02 | C03 | H24 | 55.8° | 60.0° |
| H21 | C02 | C04 | H25 | 16.4° | 64.2° |
| H21 | C02 | C04 | H26 | 134.1° | 175.8° |
| H22 | C03 | H23 | H24 | 120.0° | 120.1° |
| H25 | C04 | C05 | H27 | 98.1° | 176.9° |
| H26 | C04 | C05 | H27 | 144.1° | 63.2° |
| H27 | C05 | N06 | H28 | 119.4° | 148.1° |
| H29 | C09 | C10 | H30 | 153.5° | 175.0° |
| H29 | C09 | C10 | H31 | 88.1° | 65.0° |
| H29 | C09 | N18 | H36 | 153.4° | 145.0° |
| H32 | C12 | C13 | H33 | 0.2° | 0.1° |
| H34 | C16 | C17 | H35 | 0.1° | 0.0° |
| H39 | C24 | C25 | H40 | 0.2° | 0.0° |
| H40 | C25 | C26 | H41 | 0.2° | 0.0° |
| H41 | C26 | C27 | H42 | 0.2° | 0.0° |
| H42 | C27 | C28 | H43 | 0.1° | 0.0° |
