VB6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C12 | C09 | sing | 1.52Å | 1.53Å | |
| N10 | C11 | sing | 1.49Å | 1.47Å | |
| N10 | C09 | sing | 1.49Å | 1.47Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C14 | N15 | sing | 1.47Å | 1.45Å | |
| C11 | C53 | sing | 1.51Å | 1.54Å | |
| C09 | C08 | sing | 1.50Å | 1.52Å | |
| C53 | C54 | doub | 1.39Å | 1.38Å | Aromatic |
| C53 | C52 | sing | 1.39Å | 1.39Å | Aromatic |
| C08 | O16 | doub | 1.21Å | 1.19Å | |
| C08 | N07 | sing | 1.36Å | 1.45Å | |
| S51 | C52 | sing | 1.76Å | 1.83Å | |
| S51 | C50 | sing | 1.76Å | 1.81Å | |
| C54 | C55 | sing | 1.39Å | 1.38Å | Aromatic |
| C52 | N57 | doub | 1.33Å | 1.31Å | Aromatic |
| N07 | C06 | sing | 1.48Å | 1.44Å | |
| C50 | C49 | doub | 1.39Å | 1.37Å | Aromatic |
| C50 | C36 | sing | 1.39Å | 1.39Å | Aromatic |
| C55 | C56 | doub | 1.38Å | 1.38Å | Aromatic |
| C49 | C48 | sing | 1.38Å | 1.37Å | Aromatic |
| N57 | C56 | sing | 1.32Å | 1.32Å | Aromatic |
| C35 | C36 | sing | 1.51Å | 1.56Å | |
| C35 | N34 | sing | 1.46Å | 1.48Å | |
| C36 | C37 | doub | 1.39Å | 1.40Å | Aromatic |
| N34 | C02 | sing | 1.34Å | 1.47Å | |
| C06 | C05 | sing | 1.50Å | 1.53Å | |
| C06 | C17 | sing | 1.53Å | 1.52Å | |
| O22 | C05 | doub | 1.23Å | 1.18Å | |
| C48 | C47 | doub | 1.38Å | 1.37Å | Aromatic |
| C05 | N04 | sing | 1.37Å | 1.47Å | |
| C18 | C17 | sing | 1.53Å | 1.54Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C37 | C47 | sing | 1.40Å | 1.38Å | Aromatic |
| C37 | C38 | sing | 1.48Å | 1.53Å | |
| C39 | C38 | doub | 1.40Å | 1.37Å | Aromatic |
| C39 | C40 | sing | 1.38Å | 1.37Å | Aromatic |
| N04 | C23 | sing | 1.46Å | 1.46Å | |
| N04 | C03 | sing | 1.49Å | 1.47Å | |
| C02 | C03 | sing | 1.50Å | 1.54Å | |
| C02 | O01 | doub | 1.22Å | 1.18Å | |
| C38 | C46 | sing | 1.40Å | 1.38Å | Aromatic |
| N21 | C20 | sing | 1.47Å | 1.46Å | |
| C03 | C24 | sing | 1.53Å | 1.52Å | |
| C40 | C41 | doub | 1.40Å | 1.37Å | Aromatic |
| C46 | C45 | doub | 1.38Å | 1.38Å | Aromatic |
| C41 | C45 | sing | 1.40Å | 1.37Å | Aromatic |
| C41 | C42 | sing | 1.48Å | 1.52Å | |
| C24 | C25 | sing | 1.51Å | 1.54Å | |
| C30 | C31 | doub | 1.37Å | 1.38Å | Aromatic |
| C30 | C29 | sing | 1.40Å | 1.39Å | Aromatic |
| C31 | C32 | sing | 1.39Å | 1.39Å | Aromatic |
| C25 | C29 | sing | 1.47Å | 1.40Å | Aromatic |
| C25 | C26 | doub | 1.34Å | 1.38Å | Aromatic |
| C29 | C28 | doub | 1.41Å | 1.37Å | Aromatic |
| O43 | C42 | doub | 1.21Å | 1.25Å | |
| C32 | C33 | doub | 1.38Å | 1.38Å | Aromatic |
| C42 | O44 | sing | 1.35Å | 1.25Å | |
| C28 | C33 | sing | 1.39Å | 1.40Å | Aromatic |
| C28 | N27 | sing | 1.38Å | 1.33Å | Aromatic |
| C26 | N27 | sing | 1.37Å | 1.32Å | Aromatic |
| C03 | H1 | sing | 1.09Å | 1.10Å | |
| C06 | H2 | sing | 1.09Å | 1.10Å | |
| N07 | H3 | sing | 0.97Å | 1.00Å | |
| C09 | H4 | sing | 1.09Å | 1.10Å | |
| N10 | H5 | sing | 1.07Å | 1.00Å | |
| C11 | H7 | sing | 1.08Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| N15 | H15 | sing | 1.01Å | 1.00Å | |
| N15 | H16 | sing | 1.01Å | 1.00Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C20 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| N21 | H26 | sing | 1.01Å | 1.00Å | |
| N21 | H27 | sing | 1.01Å | 1.00Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C24 | H32 | sing | 1.09Å | 1.10Å | |
| C24 | H33 | sing | 1.09Å | 1.10Å | |
| C26 | H34 | sing | 1.08Å | 1.08Å | |
| N27 | H35 | sing | 0.97Å | 1.00Å | |
| C30 | H36 | sing | 1.08Å | 1.08Å | |
| C31 | H37 | sing | 1.08Å | 1.08Å | |
| C32 | H38 | sing | 1.08Å | 1.08Å | |
| C33 | H39 | sing | 1.08Å | 1.08Å | |
| N34 | H40 | sing | 0.97Å | 1.00Å | |
| C35 | H41 | sing | 1.09Å | 1.10Å | |
| C35 | H42 | sing | 1.09Å | 1.10Å | |
| C39 | H43 | sing | 1.08Å | 1.08Å | |
| C40 | H44 | sing | 1.08Å | 1.08Å | |
| O44 | H45 | sing | 0.97Å | 0.95Å | |
| C45 | H46 | sing | 1.08Å | 1.08Å | |
| C46 | H47 | sing | 1.08Å | 1.08Å | |
| C47 | H48 | sing | 1.08Å | 1.08Å | |
| C48 | H49 | sing | 1.08Å | 1.08Å | |
| C49 | H50 | sing | 1.08Å | 1.08Å | |
| C54 | H51 | sing | 1.08Å | 1.08Å | |
| C55 | H52 | sing | 1.08Å | 1.08Å | |
| C56 | H53 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C12 | C09 | 116.2° | 109.5° |
| C12 | C13 | C14 | 115.7° | 109.5° |
| C13 | C12 | H9 | 107.7° | 109.5° |
| C13 | C12 | H10 | 107.8° | 109.4° |
| C12 | C13 | H11 | 107.9° | 109.5° |
| C12 | C13 | H12 | 107.9° | 109.5° |
| C12 | C09 | N10 | 115.0° | 109.9° |
| C12 | C09 | C08 | 109.5° | 110.7° |
| C12 | C09 | H4 | 106.7° | 109.4° |
| C09 | C12 | H9 | 107.8° | 109.5° |
| C09 | C12 | H10 | 107.7° | 109.5° |
| C11 | N10 | C09 | 121.2° | 108.8° |
| N10 | C11 | C53 | 115.1° | 108.1° |
| C11 | N10 | H5 | 106.4° | 101.3° |
| N10 | C11 | H7 | 108.1° | 110.8° |
| N10 | C11 | H8 | 108.0° | 108.8° |
| N10 | C09 | C08 | 111.3° | 109.8° |
| N10 | C09 | H4 | 107.3° | 107.6° |
| C09 | N10 | H5 | 106.5° | 101.3° |
| C13 | C14 | N15 | 107.7° | 109.5° |
| C14 | C13 | H11 | 107.9° | 109.4° |
| C14 | C13 | H12 | 107.9° | 109.5° |
| C13 | C14 | H13 | 109.9° | 109.4° |
| C13 | C14 | H14 | 109.9° | 109.5° |
| N15 | C14 | H13 | 109.9° | 109.5° |
| N15 | C14 | H14 | 109.9° | 109.5° |
| C14 | N15 | H15 | 109.5° | 111.0° |
| C14 | N15 | H16 | 109.5° | 111.1° |
| C11 | C53 | C54 | 119.7° | 118.8° |
| C11 | C53 | C52 | 121.1° | 122.1° |
| C53 | C11 | H7 | 108.0° | 110.2° |
| C53 | C11 | H8 | 108.1° | 108.2° |
| C09 | C08 | O16 | 120.5° | 120.1° |
| C09 | C08 | N07 | 116.8° | 119.2° |
| C08 | C09 | H4 | 106.7° | 109.3° |
| C54 | C53 | C52 | 119.1° | 119.1° |
| C53 | C54 | C55 | 118.7° | 118.9° |
| C53 | C54 | H51 | 120.7° | 120.3° |
| C53 | C52 | S51 | 121.6° | 121.1° |
| C53 | C52 | N57 | 120.3° | 120.0° |
| O16 | C08 | N07 | 122.7° | 120.6° |
| C08 | N07 | C06 | 123.8° | 116.7° |
| C08 | N07 | H3 | 118.1° | 122.1° |
| C52 | S51 | C50 | 112.1° | 102.9° |
| S51 | C52 | N57 | 118.1° | 118.9° |
| S51 | C50 | C49 | 115.5° | 119.5° |
| S51 | C50 | C36 | 123.2° | 120.5° |
| C54 | C55 | C56 | 118.5° | 119.0° |
| C55 | C54 | H51 | 120.6° | 120.8° |
| C54 | C55 | H52 | 120.7° | 120.6° |
| C52 | N57 | C56 | 121.6° | 122.3° |
| N07 | C06 | C05 | 110.7° | 108.6° |
| N07 | C06 | C17 | 107.6° | 108.6° |
| N07 | C06 | H2 | 110.6° | 108.9° |
| C06 | N07 | H3 | 118.1° | 121.2° |
| C49 | C50 | C36 | 121.2° | 120.0° |
| C50 | C49 | C48 | 120.2° | 120.5° |
| C50 | C49 | H50 | 119.9° | 120.0° |
| C50 | C36 | C35 | 118.6° | 119.9° |
| C50 | C36 | C37 | 117.5° | 118.8° |
| C55 | C56 | N57 | 121.8° | 120.7° |
| C56 | C55 | H52 | 120.8° | 120.3° |
| C55 | C56 | H53 | 119.1° | 119.6° |
| C49 | C48 | C47 | 119.8° | 119.6° |
| C49 | C48 | H49 | 120.1° | 120.1° |
| C48 | C49 | H50 | 119.9° | 119.5° |
| N57 | C56 | H53 | 119.1° | 119.8° |
| C36 | C35 | N34 | 105.0° | 109.9° |
| C35 | C36 | C37 | 123.8° | 121.2° |
| C36 | C35 | H41 | 110.6° | 109.7° |
| C36 | C35 | H42 | 110.6° | 109.5° |
| C35 | N34 | C02 | 122.8° | 123.1° |
| C35 | N34 | H40 | 118.6° | 119.3° |
| N34 | C35 | H41 | 110.6° | 109.7° |
| N34 | C35 | H42 | 110.6° | 109.3° |
| C36 | C37 | C47 | 120.6° | 120.0° |
| C36 | C37 | C38 | 123.7° | 121.4° |
| N34 | C02 | C03 | 118.2° | 122.8° |
| N34 | C02 | O01 | 120.7° | 117.6° |
| C02 | N34 | H40 | 118.6° | 117.6° |
| C05 | C06 | C17 | 109.1° | 111.3° |
| C06 | C05 | O22 | 114.4° | 119.2° |
| C06 | C05 | N04 | 127.8° | 122.7° |
| C05 | C06 | H2 | 109.3° | 110.1° |
| C06 | C17 | C18 | 112.8° | 109.5° |
| C17 | C06 | H2 | 109.4° | 109.3° |
| C06 | C17 | H18 | 108.6° | 109.5° |
| C06 | C17 | H19 | 108.7° | 109.5° |
| O22 | C05 | N04 | 117.7° | 118.0° |
| C48 | C47 | C37 | 120.6° | 120.2° |
| C48 | C47 | H48 | 119.7° | 120.1° |
| C47 | C48 | H49 | 120.1° | 120.2° |
| C05 | N04 | C23 | 116.3° | 124.5° |
| C05 | N04 | C03 | 124.5° | 112.8° |
| C17 | C18 | C19 | 112.6° | 109.5° |
| C18 | C17 | H18 | 108.6° | 109.4° |
| C18 | C17 | H19 | 108.6° | 109.5° |
| C17 | C18 | H20 | 108.7° | 109.4° |
| C17 | C18 | H21 | 108.7° | 109.5° |
| C18 | C19 | C20 | 114.1° | 109.5° |
| C19 | C18 | H20 | 108.7° | 109.5° |
| C19 | C18 | H21 | 108.7° | 109.5° |
| C18 | C19 | H22 | 108.3° | 109.5° |
| C18 | C19 | H23 | 108.3° | 109.5° |
| C19 | C20 | N21 | 112.4° | 109.5° |
| C20 | C19 | H22 | 108.3° | 109.4° |
| C20 | C19 | H23 | 108.3° | 109.4° |
| C19 | C20 | H24 | 108.7° | 109.5° |
| C19 | C20 | H25 | 108.7° | 109.4° |
| C47 | C37 | C38 | 115.6° | 118.6° |
| C37 | C47 | H48 | 119.7° | 119.7° |
| C37 | C38 | C39 | 119.2° | 120.0° |
| C37 | C38 | C46 | 120.8° | 119.9° |
| C38 | C39 | C40 | 120.2° | 120.0° |
| C39 | C38 | C46 | 120.0° | 120.1° |
| C38 | C39 | H43 | 119.9° | 119.9° |
| C39 | C40 | C41 | 120.0° | 120.0° |
| C40 | C39 | H43 | 119.9° | 120.0° |
| C39 | C40 | H44 | 120.0° | 120.0° |
| C23 | N04 | C03 | 119.2° | 122.7° |
| N04 | C23 | H29 | 109.5° | 109.5° |
| N04 | C23 | H30 | 109.5° | 109.5° |
| N04 | C23 | H31 | 109.5° | 109.5° |
| N04 | C03 | C02 | 111.8° | 110.7° |
| N04 | C03 | C24 | 111.1° | 109.1° |
| N04 | C03 | H1 | 108.3° | 109.0° |
| C03 | C02 | O01 | 121.1° | 119.6° |
| C02 | C03 | C24 | 110.5° | 109.5° |
| C02 | C03 | H1 | 107.4° | 109.5° |
| C38 | C46 | C45 | 119.6° | 120.0° |
| C38 | C46 | H47 | 120.2° | 120.0° |
| N21 | C20 | H24 | 108.8° | 109.5° |
| N21 | C20 | H25 | 108.7° | 109.4° |
| C20 | N21 | H26 | 109.5° | 111.0° |
| C20 | N21 | H27 | 109.5° | 111.0° |
| C03 | C24 | C25 | 114.7° | 109.5° |
| C24 | C03 | H1 | 107.6° | 108.9° |
| C03 | C24 | H32 | 108.1° | 109.4° |
| C03 | C24 | H33 | 108.1° | 109.4° |
| C40 | C41 | C45 | 120.1° | 119.9° |
| C40 | C41 | C42 | 118.6° | 120.0° |
| C41 | C40 | H44 | 120.0° | 120.0° |
| C46 | C45 | C41 | 120.1° | 120.0° |
| C46 | C45 | H46 | 119.9° | 120.0° |
| C45 | C46 | H47 | 120.2° | 120.0° |
| C45 | C41 | C42 | 121.4° | 120.0° |
| C41 | C45 | H46 | 119.9° | 120.0° |
| C41 | C42 | O43 | 119.2° | 120.0° |
| C41 | C42 | O44 | 120.6° | 120.0° |
| C24 | C25 | C29 | 127.5° | 126.5° |
| C24 | C25 | C26 | 126.4° | 126.6° |
| C25 | C24 | H32 | 108.1° | 109.5° |
| C25 | C24 | H33 | 108.1° | 109.5° |
| C31 | C30 | C29 | 120.9° | 119.7° |
| C30 | C31 | C32 | 119.5° | 120.6° |
| C31 | C30 | H36 | 119.6° | 120.1° |
| C30 | C31 | H37 | 120.2° | 119.7° |
| C30 | C29 | C25 | 134.2° | 134.0° |
| C30 | C29 | C28 | 119.6° | 119.9° |
| C29 | C30 | H36 | 119.5° | 120.1° |
| C31 | C32 | C33 | 119.8° | 120.7° |
| C32 | C31 | H37 | 120.3° | 119.7° |
| C31 | C32 | H38 | 120.1° | 119.7° |
| C29 | C25 | C26 | 106.1° | 107.0° |
| C25 | C29 | C28 | 106.2° | 106.1° |
| C25 | C26 | N27 | 108.9° | 110.0° |
| C25 | C26 | H34 | 125.5° | 125.0° |
| C29 | C28 | C33 | 120.0° | 119.4° |
| C29 | C28 | N27 | 109.2° | 107.1° |
| O43 | C42 | O44 | 120.2° | 120.0° |
| C32 | C33 | C28 | 120.2° | 119.7° |
| C33 | C32 | H38 | 120.1° | 119.6° |
| C32 | C33 | H39 | 119.9° | 120.2° |
| C42 | O44 | H45 | 109.5° | 117.0° |
| C33 | C28 | N27 | 130.8° | 133.5° |
| C28 | C33 | H39 | 119.9° | 120.1° |
| C28 | N27 | C26 | 109.6° | 109.9° |
| C28 | N27 | H35 | 125.2° | 125.1° |
| N27 | C26 | H34 | 125.6° | 125.1° |
| C26 | N27 | H35 | 125.2° | 125.0° |
| H7 | C11 | H8 | 109.4° | 110.6° |
| H9 | C12 | H10 | 109.5° | 109.5° |
| H11 | C13 | H12 | 109.5° | 109.5° |
| H13 | C14 | H14 | 109.5° | 109.4° |
| H15 | N15 | H16 | 109.4° | 111.0° |
| H18 | C17 | H19 | 109.5° | 109.5° |
| H20 | C18 | H21 | 109.5° | 109.5° |
| H22 | C19 | H23 | 109.5° | 109.5° |
| H24 | C20 | H25 | 109.5° | 109.5° |
| H26 | N21 | H27 | 109.5° | 111.0° |
| H29 | C23 | H30 | 109.5° | 109.5° |
| H29 | C23 | H31 | 109.4° | 109.4° |
| H30 | C23 | H31 | 109.5° | 109.5° |
| H32 | C24 | H33 | 109.5° | 109.4° |
| H41 | C35 | H42 | 109.5° | 108.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C12 | C09 | H9 | 121.0° | 120.0° |
| C13 | C12 | C09 | H10 | 121.0° | 120.0° |
| C13 | C12 | C09 | N10 | 179.6° | 63.5° |
| C12 | C13 | C14 | H11 | 120.9° | 120.0° |
| C12 | C13 | C14 | H12 | 120.9° | 120.0° |
| C12 | C13 | C14 | N15 | 179.5° | 180.0° |
| C13 | C12 | C09 | C08 | 54.3° | 175.0° |
| C13 | C12 | C09 | H4 | 60.8° | 54.5° |
| C13 | C12 | H9 | H10 | 116.9° | 120.0° |
| C12 | C13 | H11 | H12 | 117.2° | 120.0° |
| C12 | C13 | C14 | H13 | 60.8° | 60.0° |
| C12 | C13 | C14 | H14 | 59.8° | 60.0° |
| C12 | C09 | N10 | C11 | 85.8° | 60.7° |
| C12 | C09 | N10 | C08 | 125.2° | 122.0° |
| C12 | C09 | N10 | H4 | 118.5° | 119.1° |
| C09 | C12 | C13 | C14 | 61.7° | 180.0° |
| C12 | C09 | C08 | H4 | 115.1° | 120.6° |
| C12 | C09 | C08 | O16 | 44.4° | 120.5° |
| C12 | C09 | C08 | N07 | 136.3° | 59.5° |
| C12 | C09 | N10 | H5 | 152.6° | 166.9° |
| C09 | C12 | H9 | H10 | 116.9° | 120.0° |
| C09 | C12 | C13 | H11 | 177.4° | 60.0° |
| C09 | C12 | C13 | H12 | 59.2° | 60.0° |
| C11 | N10 | C09 | H5 | 121.6° | 106.2° |
| N10 | C11 | C53 | H7 | 120.8° | 121.2° |
| N10 | C11 | C53 | H8 | 120.8° | 117.7° |
| C11 | N10 | C09 | C08 | 39.4° | 61.3° |
| N10 | C11 | C53 | C54 | 29.8° | 93.2° |
| N10 | C11 | C53 | C52 | 149.2° | 86.9° |
| C11 | N10 | C09 | H4 | 155.7° | 179.8° |
| N10 | C11 | H7 | H8 | 117.4° | 120.7° |
| C09 | N10 | C11 | C53 | 80.2° | 170.1° |
| N10 | C09 | C08 | H4 | 116.7° | 117.8° |
| N10 | C09 | C08 | O16 | 83.8° | 1.1° |
| N10 | C09 | C08 | N07 | 95.5° | 178.9° |
| C09 | N10 | C11 | H7 | 40.6° | 49.2° |
| C09 | N10 | C11 | H8 | 158.9° | 72.6° |
| N10 | C09 | C12 | H9 | 59.4° | 56.5° |
| N10 | C09 | C12 | H10 | 58.6° | 176.6° |
| C13 | C14 | N15 | H13 | 119.7° | 120.0° |
| C13 | C14 | N15 | H14 | 119.7° | 120.0° |
| C14 | C13 | C12 | H9 | 177.3° | 60.0° |
| C14 | C13 | C12 | H10 | 59.3° | 60.0° |
| C14 | C13 | H11 | H12 | 117.2° | 119.9° |
| C13 | C14 | H13 | H14 | 120.8° | 119.9° |
| C13 | C14 | N15 | H15 | 180.0° | 180.0° |
| C13 | C14 | N15 | H16 | 60.0° | 56.0° |
| N15 | C14 | C13 | H11 | 58.6° | 60.0° |
| N15 | C14 | C13 | H12 | 59.5° | 60.0° |
| N15 | C14 | H13 | H14 | 120.8° | 120.0° |
| C14 | N15 | H15 | H16 | 120.0° | 124.0° |
| C11 | C53 | C54 | C52 | 179.1° | 179.8° |
| C11 | C53 | C52 | S51 | 0.8° | 0.1° |
| C11 | C53 | C54 | C55 | 179.2° | 179.9° |
| C11 | C53 | C52 | N57 | 179.3° | 179.8° |
| C53 | C11 | N10 | H5 | 41.4° | 63.9° |
| C53 | C11 | H7 | H8 | 117.4° | 119.6° |
| C11 | C53 | C54 | H51 | 0.8° | 0.1° |
| C09 | C08 | O16 | N07 | 179.2° | 180.0° |
| C09 | C08 | N07 | C06 | 178.8° | 172.0° |
| C09 | C08 | N07 | H3 | 1.2° | 8.4° |
| C08 | C09 | N10 | H5 | 82.2° | 44.8° |
| C08 | C09 | C12 | H9 | 66.7° | 65.0° |
| C08 | C09 | C12 | H10 | 175.3° | 55.1° |
| C54 | C53 | C52 | S51 | 179.9° | 179.7° |
| C53 | C54 | C55 | H51 | 180.0° | 180.0° |
| C54 | C53 | C52 | N57 | 0.3° | 0.4° |
| C53 | C54 | C55 | C56 | 0.1° | 0.1° |
| C54 | C53 | C11 | H7 | 150.7° | 145.5° |
| C54 | C53 | C11 | H8 | 91.0° | 24.4° |
| C53 | C54 | C55 | H52 | 179.9° | 179.9° |
| C53 | C52 | S51 | N57 | 179.9° | 179.9° |
| C53 | C52 | S51 | C50 | 177.3° | 145.4° |
| C52 | C53 | C54 | C55 | 0.1° | 0.3° |
| C53 | C52 | N57 | C56 | 0.1° | 0.2° |
| C52 | C53 | C11 | H7 | 28.4° | 34.3° |
| C52 | C53 | C11 | H8 | 90.0° | 155.4° |
| C52 | C53 | C54 | H51 | 179.9° | 179.7° |
| O16 | C08 | N07 | C06 | 0.5° | 8.0° |
| O16 | C08 | N07 | H3 | 179.5° | 171.6° |
| O16 | C08 | C09 | H4 | 159.5° | 118.9° |
| C08 | N07 | C06 | H3 | 180.0° | 179.6° |
| C08 | N07 | C06 | C05 | 48.2° | 51.8° |
| C08 | N07 | C06 | C17 | 167.3° | 69.4° |
| C08 | N07 | C06 | H2 | 73.2° | 171.7° |
| N07 | C08 | C09 | H4 | 21.2° | 61.1° |
| C52 | S51 | C50 | C49 | 72.6° | 44.2° |
| C52 | S51 | C50 | C36 | 108.4° | 133.3° |
| S51 | C52 | N57 | C56 | 180.0° | 179.9° |
| C50 | S51 | C52 | N57 | 2.9° | 34.6° |
| S51 | C50 | C49 | C36 | 178.9° | 177.5° |
| S51 | C50 | C49 | C48 | 179.8° | 173.4° |
| S51 | C50 | C36 | C35 | 1.6° | 9.8° |
| S51 | C50 | C36 | C37 | 179.8° | 166.9° |
| S51 | C50 | C49 | H50 | 0.3° | 8.4° |
| C54 | C55 | C56 | H52 | 180.0° | 180.0° |
| C54 | C55 | C56 | N57 | 0.2° | 0.1° |
| C54 | C55 | C56 | H53 | 179.7° | 179.9° |
| C52 | N57 | C56 | C55 | 0.1° | 0.0° |
| C52 | N57 | C56 | H53 | 179.9° | 179.9° |
| N07 | C06 | C05 | C17 | 118.2° | 119.4° |
| N07 | C06 | C05 | H2 | 122.1° | 119.2° |
| N07 | C06 | C17 | H2 | 120.3° | 118.7° |
| N07 | C06 | C05 | O22 | 56.5° | 10.7° |
| N07 | C06 | C05 | N04 | 121.2° | 171.6° |
| N07 | C06 | C17 | C18 | 76.6° | 65.5° |
| N07 | C06 | C17 | H18 | 43.9° | 54.4° |
| N07 | C06 | C17 | H19 | 162.9° | 174.4° |
| C50 | C49 | C48 | H50 | 180.0° | 178.2° |
| C49 | C50 | C36 | C35 | 179.5° | 172.7° |
| C49 | C50 | C36 | C37 | 1.4° | 10.5° |
| C50 | C49 | C48 | C47 | 0.1° | 3.1° |
| C50 | C49 | C48 | H49 | 179.9° | 178.1° |
| C36 | C50 | C49 | C48 | 0.8° | 4.1° |
| C50 | C36 | C35 | C37 | 178.0° | 176.6° |
| C50 | C36 | C35 | N34 | 65.8° | 123.6° |
| C50 | C36 | C37 | C47 | 1.3° | 9.9° |
| C50 | C36 | C37 | C38 | 179.6° | 167.7° |
| C50 | C36 | C35 | H41 | 53.5° | 115.7° |
| C50 | C36 | C35 | H42 | 174.9° | 3.5° |
| C36 | C50 | C49 | H50 | 179.2° | 174.1° |
| C55 | C56 | N57 | H53 | 180.0° | 179.8° |
| C56 | C55 | C54 | H51 | 179.9° | 179.9° |
| C49 | C48 | C47 | H49 | 180.0° | 178.8° |
| C49 | C48 | C47 | C37 | 0.0° | 3.7° |
| C49 | C48 | C47 | H48 | 180.0° | 175.3° |
| N57 | C56 | C55 | H52 | 179.8° | 179.9° |
| C36 | C35 | N34 | H41 | 119.3° | 120.7° |
| C36 | C35 | N34 | H42 | 119.3° | 120.2° |
| C36 | C35 | N34 | C02 | 89.0° | 145.7° |
| C35 | C36 | C37 | C47 | 179.3° | 173.4° |
| C35 | C36 | C37 | C38 | 1.6° | 9.0° |
| C36 | C35 | N34 | H40 | 91.0° | 36.8° |
| C36 | C35 | H41 | H42 | 122.1° | 119.7° |
| N34 | C35 | C36 | C37 | 112.1° | 59.8° |
| C35 | N34 | C02 | H40 | 180.0° | 177.6° |
| C35 | N34 | C02 | C03 | 177.7° | 41.5° |
| C35 | N34 | C02 | O01 | 2.0° | 140.2° |
| N34 | C35 | H41 | H42 | 122.1° | 119.5° |
| C36 | C37 | C47 | C48 | 0.6° | 2.8° |
| C36 | C37 | C47 | C38 | 179.2° | 177.7° |
| C36 | C37 | C38 | C39 | 81.1° | 54.6° |
| C36 | C37 | C38 | C46 | 99.8° | 125.8° |
| C37 | C36 | C35 | H41 | 128.6° | 60.9° |
| C37 | C36 | C35 | H42 | 7.1° | 179.8° |
| C36 | C37 | C47 | H48 | 179.4° | 178.2° |
| N34 | C02 | C03 | N04 | 76.1° | 113.9° |
| N34 | C02 | C03 | O01 | 179.7° | 178.3° |
| N34 | C02 | C03 | C24 | 159.7° | 125.8° |
| N34 | C02 | C03 | H1 | 42.6° | 6.4° |
| C02 | N34 | C35 | H41 | 151.7° | 93.6° |
| C02 | N34 | C35 | H42 | 30.2° | 25.5° |
| C05 | C06 | C17 | H2 | 119.6° | 121.8° |
| C06 | C05 | O22 | N04 | 177.9° | 177.8° |
| C05 | C06 | C17 | C18 | 163.2° | 175.0° |
| C06 | C05 | N04 | C23 | 179.1° | 24.7° |
| C06 | C05 | N04 | C03 | 1.4° | 155.4° |
| C05 | C06 | N07 | H3 | 131.8° | 127.8° |
| C05 | C06 | C17 | H18 | 76.3° | 65.1° |
| C05 | C06 | C17 | H19 | 42.7° | 55.0° |
| C17 | C06 | C05 | O22 | 61.7° | 130.2° |
| C17 | C06 | C05 | N04 | 120.6° | 52.1° |
| C06 | C17 | C18 | H18 | 120.5° | 120.0° |
| C06 | C17 | C18 | H19 | 120.5° | 120.0° |
| C06 | C17 | C18 | C19 | 154.9° | 180.0° |
| C17 | C06 | N07 | H3 | 12.7° | 111.0° |
| C06 | C17 | H18 | H19 | 118.5° | 120.1° |
| C06 | C17 | C18 | H20 | 84.6° | 60.0° |
| C06 | C17 | C18 | H21 | 34.4° | 60.0° |
| O22 | C05 | N04 | C23 | 1.5° | 153.1° |
| O22 | C05 | N04 | C03 | 179.1° | 26.9° |
| O22 | C05 | C06 | H2 | 178.6° | 108.4° |
| C48 | C47 | C37 | H48 | 180.0° | 179.0° |
| C48 | C47 | C37 | C38 | 179.8° | 174.9° |
| C47 | C48 | C49 | H50 | 179.9° | 178.7° |
| C05 | N04 | C23 | C03 | 179.5° | 179.9° |
| C05 | N04 | C03 | C02 | 131.9° | 136.8° |
| C05 | N04 | C03 | C24 | 104.2° | 102.6° |
| C05 | N04 | C03 | H1 | 13.8° | 16.2° |
| N04 | C05 | C06 | H2 | 0.9° | 69.3° |
| C05 | N04 | C23 | H29 | 180.0° | 88.2° |
| C05 | N04 | C23 | H30 | 60.0° | 31.8° |
| C05 | N04 | C23 | H31 | 60.0° | 151.8° |
| C17 | C18 | C19 | H20 | 120.5° | 119.9° |
| C17 | C18 | C19 | H21 | 120.5° | 120.0° |
| C17 | C18 | C19 | C20 | 132.2° | 180.0° |
| C18 | C17 | C06 | H2 | 43.6° | 53.2° |
| C18 | C17 | H18 | H19 | 118.5° | 120.0° |
| C17 | C18 | H20 | H21 | 118.6° | 120.0° |
| C17 | C18 | C19 | H22 | 107.1° | 60.1° |
| C17 | C18 | C19 | H23 | 11.6° | 60.0° |
| C18 | C19 | C20 | H22 | 120.7° | 120.0° |
| C18 | C19 | C20 | H23 | 120.7° | 120.0° |
| C18 | C19 | C20 | N21 | 49.5° | 180.0° |
| C19 | C18 | C17 | H18 | 34.4° | 60.0° |
| C19 | C18 | C17 | H19 | 84.6° | 60.0° |
| C19 | C18 | H20 | H21 | 118.6° | 120.1° |
| C18 | C19 | H22 | H23 | 117.9° | 120.1° |
| C18 | C19 | C20 | H24 | 170.0° | 60.0° |
| C18 | C19 | C20 | H25 | 70.9° | 60.0° |
| C19 | C20 | N21 | H24 | 120.4° | 120.0° |
| C19 | C20 | N21 | H25 | 120.4° | 119.9° |
| C20 | C19 | C18 | H20 | 11.8° | 60.0° |
| C20 | C19 | C18 | H21 | 107.3° | 60.0° |
| C20 | C19 | H22 | H23 | 117.9° | 120.0° |
| C19 | C20 | H24 | H25 | 118.7° | 120.0° |
| C19 | C20 | N21 | H26 | 180.0° | 180.0° |
| C19 | C20 | N21 | H27 | 60.0° | 56.0° |
| C47 | C37 | C38 | C39 | 98.1° | 123.0° |
| C47 | C37 | C38 | C46 | 81.1° | 56.6° |
| C37 | C47 | C48 | H49 | 180.0° | 177.5° |
| C37 | C38 | C39 | C46 | 179.1° | 179.6° |
| C37 | C38 | C39 | C40 | 180.0° | 180.0° |
| C37 | C38 | C46 | C45 | 179.8° | 179.7° |
| C37 | C38 | C39 | H43 | 0.0° | 0.1° |
| C37 | C38 | C46 | H47 | 0.2° | 0.1° |
| C38 | C37 | C47 | H48 | 0.2° | 4.2° |
| C38 | C39 | C40 | H43 | 180.0° | 180.0° |
| C38 | C39 | C40 | C41 | 0.4° | 0.0° |
| C39 | C38 | C46 | C45 | 1.1° | 0.6° |
| C38 | C39 | C40 | H44 | 179.6° | 180.0° |
| C39 | C38 | C46 | H47 | 178.9° | 179.7° |
| C40 | C39 | C38 | C46 | 0.9° | 0.4° |
| C39 | C40 | C41 | H44 | 180.0° | 179.9° |
| C39 | C40 | C41 | C45 | 0.2° | 0.0° |
| C39 | C40 | C41 | C42 | 180.0° | 179.9° |
| C23 | N04 | C03 | C02 | 48.6° | 43.2° |
| C23 | N04 | C03 | C24 | 75.3° | 77.3° |
| C23 | N04 | C03 | H1 | 166.8° | 163.8° |
| N04 | C23 | H29 | H30 | 120.0° | 120.1° |
| N04 | C23 | H29 | H31 | 120.0° | 120.0° |
| N04 | C23 | H30 | H31 | 120.0° | 120.0° |
| N04 | C03 | C02 | C24 | 124.3° | 120.3° |
| N04 | C03 | C02 | H1 | 118.7° | 120.3° |
| N04 | C03 | C02 | O01 | 104.3° | 67.8° |
| N04 | C03 | C24 | H1 | 118.4° | 118.9° |
| N04 | C03 | C24 | C25 | 62.6° | 65.0° |
| C03 | N04 | C23 | H29 | 0.5° | 91.7° |
| C03 | N04 | C23 | H30 | 119.5° | 148.3° |
| C03 | N04 | C23 | H31 | 120.5° | 28.3° |
| N04 | C03 | C24 | H32 | 58.1° | 55.1° |
| N04 | C03 | C24 | H33 | 176.6° | 175.0° |
| C02 | C03 | C24 | H1 | 116.9° | 119.8° |
| C02 | C03 | C24 | C25 | 172.7° | 173.7° |
| C02 | C03 | C24 | H32 | 66.6° | 66.2° |
| C02 | C03 | C24 | H33 | 51.9° | 53.6° |
| C03 | C02 | N34 | H40 | 2.3° | 140.9° |
| O01 | C02 | C03 | C24 | 20.0° | 52.5° |
| O01 | C02 | C03 | H1 | 137.0° | 171.9° |
| O01 | C02 | N34 | H40 | 178.0° | 37.4° |
| C38 | C46 | C45 | H47 | 180.0° | 179.7° |
| C38 | C46 | C45 | C41 | 0.8° | 0.6° |
| C46 | C38 | C39 | H43 | 179.1° | 179.7° |
| C38 | C46 | C45 | H46 | 179.2° | 179.6° |
| N21 | C20 | C19 | H22 | 71.2° | 60.0° |
| N21 | C20 | C19 | H23 | 170.2° | 60.0° |
| N21 | C20 | H24 | H25 | 118.7° | 120.0° |
| C20 | N21 | H26 | H27 | 120.0° | 124.0° |
| C03 | C24 | C25 | H32 | 120.8° | 120.0° |
| C03 | C24 | C25 | H33 | 120.8° | 120.0° |
| C03 | C24 | C25 | C29 | 81.3° | 88.6° |
| C03 | C24 | C25 | C26 | 100.8° | 91.1° |
| C03 | C24 | H32 | H33 | 117.6° | 119.9° |
| C40 | C41 | C45 | C46 | 0.4° | 0.3° |
| C40 | C41 | C45 | C42 | 179.8° | 179.9° |
| C40 | C41 | C42 | O43 | 78.9° | 0.0° |
| C40 | C41 | C42 | O44 | 100.4° | 180.0° |
| C41 | C40 | C39 | H43 | 179.6° | 180.0° |
| C40 | C41 | C45 | H46 | 179.6° | 180.0° |
| C46 | C45 | C41 | H46 | 180.0° | 179.8° |
| C46 | C45 | C41 | C42 | 179.8° | 179.7° |
| C45 | C41 | C42 | O43 | 100.9° | 179.9° |
| C45 | C41 | C42 | O44 | 79.8° | 0.0° |
| C45 | C41 | C40 | H44 | 179.8° | 179.9° |
| C41 | C45 | C46 | H47 | 179.2° | 179.8° |
| C41 | C42 | O43 | O44 | 179.3° | 179.9° |
| C42 | C41 | C40 | H44 | 0.0° | 0.0° |
| C41 | C42 | O44 | H45 | 179.3° | 180.0° |
| C42 | C41 | C45 | H46 | 0.2° | 0.1° |
| C24 | C25 | C29 | C30 | 1.5° | 0.1° |
| C24 | C25 | C29 | C26 | 178.3° | 179.7° |
| C24 | C25 | C29 | C28 | 178.9° | 179.9° |
| C24 | C25 | C26 | N27 | 179.0° | 179.9° |
| C25 | C24 | C03 | H1 | 55.7° | 53.9° |
| C25 | C24 | H32 | H33 | 117.6° | 120.0° |
| C24 | C25 | C26 | H34 | 1.0° | 0.0° |
| C31 | C30 | C29 | H36 | 180.0° | 180.0° |
| C30 | C31 | C32 | H37 | 180.0° | 180.0° |
| C31 | C30 | C29 | C25 | 179.5° | 179.9° |
| C31 | C30 | C29 | C28 | 0.0° | 0.2° |
| C30 | C31 | C32 | C33 | 0.1° | 0.5° |
| C30 | C31 | C32 | H38 | 179.9° | 180.0° |
| C29 | C30 | C31 | C32 | 0.2° | 0.0° |
| C30 | C29 | C25 | C28 | 179.6° | 179.8° |
| C30 | C29 | C25 | C26 | 179.8° | 179.8° |
| C30 | C29 | C28 | C33 | 0.2° | 0.0° |
| C30 | C29 | C28 | N27 | 179.9° | 179.7° |
| C29 | C30 | C31 | H37 | 179.8° | 180.0° |
| C31 | C32 | C33 | H38 | 180.0° | 179.5° |
| C31 | C32 | C33 | C28 | 0.1° | 0.7° |
| C32 | C31 | C30 | H36 | 179.8° | 180.0° |
| C31 | C32 | C33 | H39 | 180.0° | 179.9° |
| C25 | C29 | C28 | C33 | 179.8° | 179.8° |
| C25 | C29 | C28 | N27 | 0.3° | 0.4° |
| C29 | C25 | C26 | N27 | 0.7° | 0.2° |
| C29 | C25 | C24 | H32 | 158.0° | 31.4° |
| C29 | C25 | C24 | H33 | 39.5° | 151.4° |
| C29 | C25 | C26 | H34 | 179.3° | 179.7° |
| C25 | C29 | C30 | H36 | 0.5° | 0.1° |
| C26 | C25 | C29 | C28 | 0.6° | 0.4° |
| C25 | C26 | N27 | C28 | 0.5° | 0.1° |
| C25 | C26 | N27 | H34 | 180.0° | 179.9° |
| C26 | C25 | C24 | H32 | 20.0° | 148.9° |
| C26 | C25 | C24 | H33 | 138.5° | 28.9° |
| C25 | C26 | N27 | H35 | 179.5° | 179.9° |
| C29 | C28 | C33 | C32 | 0.2° | 0.5° |
| C29 | C28 | C33 | N27 | 179.9° | 179.7° |
| C29 | C28 | N27 | C26 | 0.2° | 0.3° |
| C29 | C28 | N27 | H35 | 179.9° | 179.8° |
| C28 | C29 | C30 | H36 | 180.0° | 179.8° |
| C29 | C28 | C33 | H39 | 179.8° | 179.7° |
| O43 | C42 | O44 | H45 | 0.0° | 0.1° |
| C32 | C33 | C28 | H39 | 180.0° | 179.2° |
| C32 | C33 | C28 | N27 | 179.9° | 179.2° |
| C33 | C32 | C31 | H37 | 179.9° | 179.5° |
| C33 | C28 | N27 | C26 | 179.7° | 179.9° |
| C33 | C28 | N27 | H35 | 0.3° | 0.1° |
| C28 | C33 | C32 | H38 | 179.9° | 179.8° |
| C28 | N27 | C26 | H35 | 180.0° | 179.8° |
| C28 | N27 | C26 | H34 | 179.5° | 180.0° |
| N27 | C28 | C33 | H39 | 0.1° | 0.0° |
| H1 | C03 | C24 | H32 | 176.5° | 174.0° |
| H1 | C03 | C24 | H33 | 65.0° | 66.1° |
| H2 | C06 | N07 | H3 | 106.8° | 7.9° |
| H2 | C06 | C17 | H18 | 164.1° | 173.1° |
| H2 | C06 | C17 | H19 | 76.9° | 66.8° |
| H4 | C09 | N10 | H5 | 34.1° | 74.1° |
| H4 | C09 | C12 | H9 | 178.2° | 174.5° |
| H4 | C09 | C12 | H10 | 60.2° | 65.5° |
| H5 | N10 | C11 | H7 | 162.3° | 57.0° |
| H5 | N10 | C11 | H8 | 79.4° | 178.8° |
| H9 | C12 | C13 | H11 | 56.4° | 179.9° |
| H9 | C12 | C13 | H12 | 61.8° | 60.0° |
| H10 | C12 | C13 | H11 | 61.6° | 59.9° |
| H10 | C12 | C13 | H12 | 179.8° | 180.0° |
| H11 | C13 | C14 | H13 | 178.3° | 180.0° |
| H11 | C13 | C14 | H14 | 61.1° | 60.0° |
| H12 | C13 | C14 | H13 | 60.2° | 60.1° |
| H12 | C13 | C14 | H14 | 179.2° | NaN° |
| H13 | C14 | N15 | H15 | 60.3° | 60.0° |
| H13 | C14 | N15 | H16 | 179.7° | 176.0° |
| H14 | C14 | N15 | H15 | 60.3° | 60.0° |
| H14 | C14 | N15 | H16 | 59.7° | 64.0° |
| H18 | C17 | C18 | H20 | 154.9° | 180.0° |
| H18 | C17 | C18 | H21 | 86.1° | 60.0° |
| H19 | C17 | C18 | H20 | 35.9° | 60.0° |
| H19 | C17 | C18 | H21 | 155.0° | 180.0° |
| H20 | C18 | C19 | H22 | 132.4° | 180.0° |
| H20 | C18 | C19 | H23 | 108.9° | 60.0° |
| H21 | C18 | C19 | H22 | 13.4° | 60.0° |
| H21 | C18 | C19 | H23 | 132.0° | 180.0° |
| H22 | C19 | C20 | H24 | 49.3° | 180.0° |
| H22 | C19 | C20 | H25 | 168.4° | 60.0° |
| H23 | C19 | C20 | H24 | 69.3° | 60.0° |
| H23 | C19 | C20 | H25 | 49.8° | 180.0° |
| H24 | C20 | N21 | H26 | 59.6° | 60.0° |
| H24 | C20 | N21 | H27 | 179.6° | 176.0° |
| H25 | C20 | N21 | H26 | 59.6° | 60.0° |
| H25 | C20 | N21 | H27 | 60.4° | 64.0° |
| H29 | C23 | H30 | H31 | 120.0° | 119.9° |
| H34 | C26 | N27 | H35 | 0.5° | 0.1° |
| H36 | C30 | C31 | H37 | 0.2° | 0.0° |
| H37 | C31 | C32 | H38 | 0.1° | 0.0° |
| H38 | C32 | C33 | H39 | 0.1° | 0.6° |
| H40 | N34 | C35 | H41 | 28.3° | 83.9° |
| H40 | N34 | C35 | H42 | 149.7° | 157.0° |
| H43 | C39 | C40 | H44 | 0.4° | 0.1° |
| H46 | C45 | C46 | H47 | 0.9° | 0.0° |
| H48 | C47 | C48 | H49 | 0.0° | 3.5° |
| H49 | C48 | C49 | H50 | 0.1° | 0.1° |
| H51 | C54 | C55 | H52 | 0.1° | 0.1° |
| H52 | C55 | C56 | H53 | 0.2° | 0.0° |
