DT0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N15 | C13 | doub | 1.30Å | 1.45Å | |
| C06 | C07 | sing | 1.53Å | 1.53Å | |
| C06 | C05 | sing | 1.51Å | 1.53Å | |
| C07 | C08 | sing | 1.53Å | 1.53Å | |
| N12 | C13 | sing | 1.37Å | 1.45Å | |
| N12 | C11 | sing | 1.47Å | 1.45Å | |
| C13 | N14 | sing | 1.38Å | 1.25Å | |
| N09 | C08 | sing | 1.46Å | 1.45Å | |
| N09 | C10 | sing | 1.35Å | 1.45Å | |
| C05 | N04 | sing | 1.36Å | 1.45Å | |
| C05 | O47 | doub | 1.21Å | 1.18Å | |
| C16 | C11 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| N04 | C03 | sing | 1.48Å | 1.45Å | |
| C11 | C10 | sing | 1.51Å | 1.53Å | |
| C10 | O46 | doub | 1.21Å | 1.18Å | |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C03 | C02 | sing | 1.53Å | 1.53Å | |
| C19 | N20 | sing | 1.48Å | 1.46Å | |
| C02 | C01 | doub | 1.38Å | 1.38Å | Aromatic |
| C02 | C43 | sing | 1.38Å | 1.39Å | Aromatic |
| C01 | C45 | sing | 1.38Å | 1.39Å | Aromatic |
| C43 | C42 | doub | 1.38Å | 1.39Å | Aromatic |
| N20 | C21 | sing | 1.37Å | 1.45Å | |
| O40 | C39 | doub | 1.21Å | 1.19Å | |
| C45 | C44 | doub | 1.38Å | 1.39Å | Aromatic |
| C42 | C44 | sing | 1.38Å | 1.38Å | Aromatic |
| C42 | C41 | sing | 1.51Å | 1.53Å | |
| O22 | C21 | doub | 1.21Å | 1.19Å | |
| C21 | C23 | sing | 1.51Å | 1.53Å | |
| C39 | C41 | sing | 1.51Å | 1.53Å | |
| C39 | N38 | sing | 1.37Å | 1.46Å | |
| O31 | C30 | doub | 1.21Å | 1.18Å | |
| C30 | C32 | sing | 1.51Å | 1.53Å | |
| C30 | N29 | sing | 1.36Å | 1.45Å | |
| C32 | N38 | sing | 1.48Å | 1.45Å | |
| C32 | C33 | sing | 1.53Å | 1.54Å | |
| C23 | N29 | sing | 1.48Å | 1.45Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C33 | C34 | sing | 1.53Å | 1.53Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C34 | C35 | sing | 1.53Å | 1.53Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C35 | C36 | sing | 1.53Å | 1.53Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C36 | N37 | sing | 1.47Å | 1.46Å | |
| C27 | N28 | sing | 1.47Å | 1.45Å | |
| N12 | H1 | sing | 0.97Å | 1.00Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C24 | H4 | sing | 1.09Å | 1.10Å | |
| C24 | H5 | sing | 1.09Å | 1.10Å | |
| C26 | H6 | sing | 1.09Å | 1.10Å | |
| C26 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.08Å | 1.08Å | |
| C03 | H9 | sing | 1.09Å | 1.10Å | |
| C03 | H10 | sing | 1.09Å | 1.10Å | |
| C06 | H11 | sing | 1.09Å | 1.10Å | |
| C06 | H12 | sing | 1.09Å | 1.10Å | |
| C07 | H13 | sing | 1.09Å | 1.10Å | |
| C07 | H14 | sing | 1.09Å | 1.10Å | |
| C08 | H15 | sing | 1.09Å | 1.10Å | |
| C08 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | 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 | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H28 | sing | 1.09Å | 1.10Å | |
| C32 | H29 | sing | 1.09Å | 1.10Å | |
| C33 | H30 | sing | 1.09Å | 1.10Å | |
| C33 | H31 | sing | 1.09Å | 1.10Å | |
| C34 | H32 | sing | 1.09Å | 1.10Å | |
| C34 | H33 | sing | 1.09Å | 1.10Å | |
| C35 | H34 | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C36 | H37 | sing | 1.09Å | 1.10Å | |
| C41 | H38 | sing | 1.09Å | 1.10Å | |
| C41 | H39 | sing | 1.09Å | 1.10Å | |
| C43 | H40 | sing | 1.08Å | 1.08Å | |
| C44 | H41 | sing | 1.08Å | 1.08Å | |
| C45 | H42 | sing | 1.08Å | 1.08Å | |
| N04 | H43 | sing | 0.97Å | 1.00Å | |
| N09 | H44 | sing | 0.97Å | 1.00Å | |
| N14 | H45 | sing | 0.97Å | 1.00Å | |
| N14 | H46 | sing | 0.97Å | 1.00Å | |
| N15 | H47 | sing | 0.97Å | 1.00Å | |
| N20 | H48 | sing | 0.97Å | 1.00Å | |
| N28 | H49 | sing | 1.01Å | 1.00Å | |
| N28 | H50 | sing | 1.01Å | 1.00Å | |
| N29 | H52 | sing | 0.97Å | 1.00Å | |
| N37 | H53 | sing | 1.01Å | 1.00Å | |
| N37 | H54 | sing | 1.01Å | 1.00Å | |
| N38 | H56 | sing | 0.97Å | 1.00Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N15 | C13 | N12 | 119.4° | 120.0° |
| N15 | C13 | N14 | 119.8° | 119.9° |
| C13 | N15 | H47 | 112.0° | 120.0° |
| C07 | C06 | C05 | 109.8° | 109.5° |
| C06 | C07 | C08 | 109.4° | 109.5° |
| C07 | C06 | H11 | 109.4° | 109.4° |
| C07 | C06 | H12 | 109.4° | 109.5° |
| C06 | C07 | H13 | 109.5° | 109.5° |
| C06 | C07 | H14 | 109.5° | 109.5° |
| C06 | C05 | N04 | 119.6° | 119.1° |
| C06 | C05 | O47 | 120.2° | 120.4° |
| C05 | C06 | H11 | 109.4° | 109.5° |
| C05 | C06 | H12 | 109.4° | 109.5° |
| C07 | C08 | N09 | 108.8° | 109.5° |
| C08 | C07 | H13 | 109.5° | 109.5° |
| C08 | C07 | H14 | 109.5° | 109.4° |
| C07 | C08 | H15 | 109.6° | 109.5° |
| C07 | C08 | H16 | 109.6° | 109.5° |
| C13 | N12 | C11 | 120.9° | 120.0° |
| N12 | C13 | N14 | 120.8° | 120.0° |
| C13 | N12 | H1 | 119.5° | 120.0° |
| N12 | C11 | C16 | 109.5° | 109.4° |
| N12 | C11 | C10 | 110.5° | 109.5° |
| C11 | N12 | H1 | 119.5° | 120.0° |
| N12 | C11 | H17 | 108.0° | 109.5° |
| C13 | N14 | H45 | 120.0° | 119.9° |
| C13 | N14 | H46 | 120.0° | 120.1° |
| C08 | N09 | C10 | 119.9° | 120.0° |
| N09 | C08 | H15 | 109.6° | 109.5° |
| N09 | C08 | H16 | 109.6° | 109.5° |
| C08 | N09 | H44 | 120.1° | 120.0° |
| N09 | C10 | C11 | 120.0° | 120.0° |
| N09 | C10 | O46 | 119.6° | 120.0° |
| C10 | N09 | H44 | 120.0° | 120.0° |
| N04 | C05 | O47 | 120.3° | 120.5° |
| C05 | N04 | C03 | 120.8° | 116.7° |
| C05 | N04 | H43 | 119.6° | 121.7° |
| C11 | C16 | C17 | 111.1° | 109.5° |
| C16 | C11 | C10 | 114.6° | 109.4° |
| C16 | C11 | H17 | 107.1° | 109.5° |
| C11 | C16 | H18 | 109.1° | 109.5° |
| C11 | C16 | H19 | 109.1° | 109.5° |
| C16 | C17 | C18 | 108.8° | 109.5° |
| C16 | C17 | H2 | 109.6° | 109.5° |
| C16 | C17 | H3 | 109.7° | 109.5° |
| C17 | C16 | H18 | 109.1° | 109.5° |
| C17 | C16 | H19 | 109.1° | 109.5° |
| N04 | C03 | C02 | 109.0° | 108.2° |
| N04 | C03 | H9 | 109.6° | 109.7° |
| N04 | C03 | H10 | 109.6° | 110.3° |
| C03 | N04 | H43 | 119.6° | 121.7° |
| C11 | C10 | O46 | 120.4° | 120.0° |
| C10 | C11 | H17 | 107.0° | 109.6° |
| C17 | C18 | C19 | 109.1° | 109.5° |
| C18 | C17 | H2 | 109.6° | 109.5° |
| C18 | C17 | H3 | 109.6° | 109.4° |
| C17 | C18 | H20 | 109.6° | 109.5° |
| C17 | C18 | H21 | 109.5° | 109.4° |
| C18 | C19 | N20 | 111.0° | 108.6° |
| C19 | C18 | H20 | 109.6° | 109.5° |
| C19 | C18 | H21 | 109.6° | 109.4° |
| C18 | C19 | H22 | 109.1° | 109.6° |
| C18 | C19 | H23 | 109.1° | 109.6° |
| C03 | C02 | C01 | 120.4° | 119.6° |
| C03 | C02 | C43 | 119.7° | 120.4° |
| C02 | C03 | H9 | 109.6° | 109.6° |
| C02 | C03 | H10 | 109.6° | 109.6° |
| C19 | N20 | C21 | 120.2° | 115.5° |
| N20 | C19 | H22 | 109.1° | 109.6° |
| C19 | N20 | H48 | 119.9° | 122.3° |
| N20 | C19 | H23 | 109.1° | 109.6° |
| C01 | C02 | C43 | 119.9° | 120.0° |
| C02 | C01 | C45 | 119.8° | 120.0° |
| C02 | C01 | H8 | 120.1° | 120.0° |
| C02 | C43 | C42 | 120.2° | 120.0° |
| C02 | C43 | H40 | 119.9° | 120.0° |
| C01 | C45 | C44 | 120.2° | 120.0° |
| C45 | C01 | H8 | 120.1° | 120.0° |
| C01 | C45 | H42 | 119.9° | 120.0° |
| C43 | C42 | C44 | 119.8° | 120.0° |
| C43 | C42 | C41 | 119.9° | 120.1° |
| C42 | C43 | H40 | 119.9° | 120.0° |
| N20 | C21 | O22 | 119.3° | 120.5° |
| N20 | C21 | C23 | 120.3° | 118.9° |
| C21 | N20 | H48 | 119.9° | 122.2° |
| O40 | C39 | C41 | 119.8° | 120.7° |
| O40 | C39 | N38 | 120.9° | 120.6° |
| C45 | C44 | C42 | 119.9° | 120.0° |
| C45 | C44 | H41 | 120.0° | 120.1° |
| C44 | C45 | H42 | 119.9° | 120.0° |
| C44 | C42 | C41 | 120.2° | 120.0° |
| C42 | C44 | H41 | 120.0° | 119.9° |
| C42 | C41 | C39 | 110.6° | 109.6° |
| C42 | C41 | H38 | 109.2° | 109.4° |
| C42 | C41 | H39 | 109.2° | 109.5° |
| O22 | C21 | C23 | 120.4° | 120.6° |
| C21 | C23 | N29 | 114.4° | 108.8° |
| C21 | C23 | C24 | 113.4° | 109.6° |
| C21 | C23 | H24 | 105.5° | 109.6° |
| C41 | C39 | N38 | 119.3° | 118.7° |
| C39 | C41 | H38 | 109.2° | 109.4° |
| C39 | C41 | H39 | 109.2° | 109.5° |
| C39 | N38 | C32 | 121.1° | 115.6° |
| C39 | N38 | H56 | 119.5° | 122.2° |
| O31 | C30 | C32 | 119.7° | 120.5° |
| O31 | C30 | N29 | 119.6° | 120.4° |
| C32 | C30 | N29 | 120.7° | 119.1° |
| C30 | C32 | N38 | 109.4° | 108.7° |
| C30 | C32 | C33 | 110.1° | 109.6° |
| C30 | C32 | H29 | 108.1° | 109.6° |
| C30 | N29 | C23 | 119.5° | 116.6° |
| C30 | N29 | H52 | 120.2° | 121.7° |
| N38 | C32 | C33 | 112.1° | 109.6° |
| N38 | C32 | H29 | 109.1° | 109.6° |
| C32 | N38 | H56 | 119.5° | 122.3° |
| C32 | C33 | C34 | 113.2° | 109.5° |
| C33 | C32 | H29 | 108.0° | 109.8° |
| C32 | C33 | H30 | 108.5° | 109.5° |
| C32 | C33 | H31 | 108.5° | 109.5° |
| N29 | C23 | C24 | 110.7° | 109.6° |
| N29 | C23 | H24 | 106.5° | 109.5° |
| C23 | N29 | H52 | 120.2° | 121.7° |
| C23 | C24 | C25 | 110.8° | 109.5° |
| C23 | C24 | H4 | 109.1° | 109.5° |
| C23 | C24 | H5 | 109.2° | 109.5° |
| C24 | C23 | H24 | 105.6° | 109.8° |
| C33 | C34 | C35 | 109.4° | 109.5° |
| C34 | C33 | H30 | 108.5° | 109.4° |
| C34 | C33 | H31 | 108.5° | 109.5° |
| C33 | C34 | H32 | 109.5° | 109.5° |
| C33 | C34 | H33 | 109.5° | 109.5° |
| C24 | C25 | C26 | 111.0° | 109.4° |
| C25 | C24 | H4 | 109.1° | 109.5° |
| C25 | C24 | H5 | 109.1° | 109.4° |
| C24 | C25 | H25 | 109.1° | 109.4° |
| C24 | C25 | H26 | 109.1° | 109.4° |
| C34 | C35 | C36 | 109.8° | 109.4° |
| C35 | C34 | H32 | 109.5° | 109.5° |
| C35 | C34 | H33 | 109.5° | 109.5° |
| C34 | C35 | H34 | 109.4° | 109.4° |
| C34 | C35 | H35 | 109.4° | 109.5° |
| C25 | C26 | C27 | 109.0° | 109.4° |
| C25 | C26 | H6 | 109.6° | 109.5° |
| C25 | C26 | H7 | 109.6° | 109.5° |
| C26 | C25 | H25 | 109.1° | 109.5° |
| C26 | C25 | H26 | 109.1° | 109.5° |
| C35 | C36 | N37 | 110.4° | 109.4° |
| C36 | C35 | H34 | 109.4° | 109.4° |
| C36 | C35 | H35 | 109.4° | 109.5° |
| C35 | C36 | H36 | 109.2° | 109.5° |
| C35 | C36 | H37 | 109.2° | 109.5° |
| C26 | C27 | N28 | 110.2° | 109.5° |
| C27 | C26 | H6 | 109.6° | 109.4° |
| C27 | C26 | H7 | 109.6° | 109.4° |
| C26 | C27 | H27 | 109.3° | 109.5° |
| C26 | C27 | H28 | 109.2° | 109.5° |
| N37 | C36 | H36 | 109.2° | 109.4° |
| N37 | C36 | H37 | 109.2° | 109.5° |
| C36 | N37 | H53 | 109.5° | 111.0° |
| C36 | N37 | H54 | 109.4° | 111.0° |
| N28 | C27 | H27 | 109.3° | 109.5° |
| N28 | C27 | H28 | 109.3° | 109.5° |
| C27 | N28 | H49 | 109.5° | 111.0° |
| C27 | N28 | H50 | 109.5° | 111.0° |
| H2 | C17 | H3 | 109.5° | 109.4° |
| H4 | C24 | H5 | 109.5° | 109.5° |
| H6 | C26 | H7 | 109.5° | 109.5° |
| H9 | C03 | H10 | 109.5° | 109.5° |
| H11 | C06 | H12 | 109.4° | 109.5° |
| H13 | C07 | H14 | 109.5° | 109.5° |
| H15 | C08 | H16 | 109.5° | 109.5° |
| H18 | C16 | H19 | 109.5° | 109.5° |
| H20 | C18 | H21 | 109.5° | 109.4° |
| H22 | C19 | H23 | 109.5° | 109.8° |
| H25 | C25 | H26 | 109.4° | 109.5° |
| H27 | C27 | H28 | 109.5° | 109.4° |
| H30 | C33 | H31 | 109.5° | 109.4° |
| H32 | C34 | H33 | 109.5° | 109.5° |
| H34 | C35 | H35 | 109.5° | 109.5° |
| H36 | C36 | H37 | 109.5° | 109.5° |
| H38 | C41 | H39 | 109.5° | 109.5° |
| H45 | N14 | H46 | 120.0° | 120.0° |
| H49 | N28 | H50 | 109.5° | 111.0° |
| H53 | N37 | H54 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N15 | C13 | N12 | N14 | 179.8° | 179.9° |
| N15 | C13 | N12 | C11 | 179.9° | 5.0° |
| N15 | C13 | N12 | H1 | 0.1° | 175.1° |
| N15 | C13 | N14 | H45 | 179.8° | 180.0° |
| N15 | C13 | N14 | H46 | 0.2° | 0.1° |
| C07 | C06 | C05 | H11 | 120.1° | 120.0° |
| C07 | C06 | C05 | H12 | 120.1° | 120.0° |
| C06 | C07 | C08 | H13 | 120.0° | 120.0° |
| C06 | C07 | C08 | H14 | 120.0° | 120.0° |
| C06 | C07 | C08 | N09 | 54.3° | 136.6° |
| C07 | C06 | C05 | N04 | 141.7° | 173.9° |
| C07 | C06 | C05 | O47 | 38.4° | 6.1° |
| C07 | C06 | H11 | H12 | 119.8° | 120.0° |
| C06 | C07 | H13 | H14 | 120.0° | 120.1° |
| C06 | C07 | C08 | H15 | 65.6° | 103.4° |
| C06 | C07 | C08 | H16 | 174.2° | 16.6° |
| C05 | C06 | C07 | C08 | 73.3° | 169.9° |
| C06 | C05 | N04 | O47 | 179.9° | 180.0° |
| C06 | C05 | N04 | C03 | 179.9° | 179.9° |
| C05 | C06 | H11 | H12 | 119.8° | 120.0° |
| C05 | C06 | C07 | H13 | 46.7° | 70.1° |
| C05 | C06 | C07 | H14 | 166.7° | 50.0° |
| C06 | C05 | N04 | H43 | 0.1° | 0.0° |
| C07 | C08 | N09 | H15 | 119.9° | 120.0° |
| C07 | C08 | N09 | H16 | 119.9° | 120.0° |
| C07 | C08 | N09 | C10 | 159.8° | 125.3° |
| C08 | C07 | C06 | H11 | 46.8° | 49.9° |
| C08 | C07 | C06 | H12 | 166.7° | 70.0° |
| C08 | C07 | H13 | H14 | 120.1° | 120.0° |
| C07 | C08 | H15 | H16 | 120.3° | 120.0° |
| C07 | C08 | N09 | H44 | 20.2° | 54.8° |
| C13 | N12 | C11 | H1 | 180.0° | 179.9° |
| C13 | N12 | C11 | C16 | 168.1° | 65.2° |
| C13 | N12 | C11 | C10 | 64.9° | 54.7° |
| C13 | N12 | C11 | H17 | 51.8° | 174.9° |
| N12 | C13 | N14 | H45 | 0.0° | 0.1° |
| N12 | C13 | N14 | H46 | 180.0° | 180.0° |
| N12 | C13 | N15 | H47 | 179.8° | 175.0° |
| C11 | N12 | C13 | N14 | 0.4° | 175.0° |
| N12 | C11 | C10 | N09 | 34.6° | 55.7° |
| N12 | C11 | C16 | C10 | 124.7° | 119.9° |
| N12 | C11 | C16 | H17 | 116.8° | 120.0° |
| N12 | C11 | C16 | C17 | 172.5° | 73.2° |
| N12 | C11 | C10 | H17 | 117.3° | 120.1° |
| N12 | C11 | C10 | O46 | 144.4° | 124.1° |
| N12 | C11 | C16 | H18 | 52.3° | 46.8° |
| N12 | C11 | C16 | H19 | 67.2° | 166.8° |
| N14 | C13 | N12 | H1 | 179.7° | 4.9° |
| C13 | N14 | H45 | H46 | 180.0° | 179.9° |
| N14 | C13 | N15 | H47 | 0.0° | 5.1° |
| C08 | N09 | C10 | H44 | 180.0° | 179.9° |
| C08 | N09 | C10 | C11 | 179.6° | 0.1° |
| C08 | N09 | C10 | O46 | 0.5° | 180.0° |
| N09 | C08 | C07 | H13 | 174.3° | 16.6° |
| N09 | C08 | C07 | H14 | 65.7° | 103.4° |
| N09 | C08 | H15 | H16 | 120.3° | 120.0° |
| N09 | C10 | C11 | C16 | 89.6° | 175.7° |
| N09 | C10 | C11 | O46 | 179.1° | 179.8° |
| C10 | N09 | C08 | H15 | 39.9° | 114.7° |
| C10 | N09 | C08 | H16 | 80.3° | 5.3° |
| N09 | C10 | C11 | H17 | 151.9° | 64.3° |
| C05 | N04 | C03 | H43 | 180.0° | 180.0° |
| C05 | N04 | C03 | C02 | 124.5° | 157.7° |
| C05 | N04 | C03 | H9 | 115.6° | 38.2° |
| C05 | N04 | C03 | H10 | 4.6° | 82.5° |
| N04 | C05 | C06 | H11 | 21.7° | 66.1° |
| N04 | C05 | C06 | H12 | 98.2° | 53.9° |
| O47 | C05 | N04 | C03 | 0.0° | 0.1° |
| O47 | C05 | C06 | H11 | 158.4° | 113.9° |
| O47 | C05 | C06 | H12 | 81.7° | 126.2° |
| O47 | C05 | N04 | H43 | 180.0° | 179.9° |
| C11 | C16 | C17 | H18 | 120.3° | 120.0° |
| C11 | C16 | C17 | H19 | 120.3° | 120.0° |
| C16 | C11 | C10 | H17 | 118.5° | 120.0° |
| C16 | C11 | C10 | O46 | 91.4° | 4.2° |
| C11 | C16 | C17 | C18 | 167.3° | 101.0° |
| C16 | C11 | N12 | H1 | 11.9° | 114.9° |
| C11 | C16 | C17 | H2 | 47.4° | 139.0° |
| C11 | C16 | C17 | H3 | 72.8° | 19.0° |
| C11 | C16 | H18 | H19 | 119.3° | 120.0° |
| C17 | C16 | C11 | C10 | 47.8° | 166.9° |
| C16 | C17 | C18 | H2 | 119.9° | 120.0° |
| C16 | C17 | C18 | H3 | 119.9° | 120.0° |
| C16 | C17 | C18 | C19 | 168.5° | 154.3° |
| C16 | C17 | H2 | H3 | 120.4° | 120.0° |
| C17 | C16 | C11 | H17 | 70.6° | 46.8° |
| C17 | C16 | H18 | H19 | 119.2° | 120.0° |
| C16 | C17 | C18 | H20 | 71.6° | 85.6° |
| C16 | C17 | C18 | H21 | 48.5° | 34.4° |
| N04 | C03 | C02 | H9 | 119.9° | 119.6° |
| N04 | C03 | C02 | H10 | 119.9° | 120.2° |
| N04 | C03 | C02 | C01 | 121.4° | 132.2° |
| N04 | C03 | C02 | C43 | 58.4° | 48.2° |
| N04 | C03 | H9 | H10 | 120.3° | 121.1° |
| C10 | C11 | N12 | H1 | 115.1° | 125.2° |
| C10 | C11 | C16 | H18 | 72.4° | 73.2° |
| C10 | C11 | C16 | H19 | 168.1° | 46.9° |
| C11 | C10 | N09 | H44 | 0.4° | 179.8° |
| O46 | C10 | C11 | H17 | 27.1° | 115.8° |
| O46 | C10 | N09 | H44 | 179.5° | 0.1° |
| C17 | C18 | C19 | H20 | 119.9° | 120.1° |
| C17 | C18 | C19 | H21 | 119.9° | 120.0° |
| C17 | C18 | C19 | N20 | 63.6° | 159.9° |
| C18 | C17 | H2 | H3 | 120.3° | 120.0° |
| C18 | C17 | C16 | H18 | 72.4° | 139.0° |
| C18 | C17 | C16 | H19 | 47.0° | 19.0° |
| C17 | C18 | H20 | H21 | 120.1° | 119.9° |
| C17 | C18 | C19 | H22 | 56.6° | 80.3° |
| C17 | C18 | C19 | H23 | 176.2° | 40.3° |
| C18 | C19 | N20 | H22 | 120.3° | 119.8° |
| C18 | C19 | N20 | H23 | 120.2° | 119.6° |
| C18 | C19 | N20 | C21 | 111.1° | 85.0° |
| C19 | C18 | C17 | H2 | 48.6° | 34.3° |
| C19 | C18 | C17 | H3 | 71.6° | 85.7° |
| C19 | C18 | H20 | H21 | 120.2° | 120.0° |
| C18 | C19 | H22 | H23 | 119.3° | 120.4° |
| C18 | C19 | N20 | H48 | 68.9° | 95.0° |
| C03 | C02 | C01 | C43 | 179.8° | 179.6° |
| C03 | C02 | C01 | C45 | 180.0° | 179.7° |
| C03 | C02 | C43 | C42 | 180.0° | 179.6° |
| C03 | C02 | C01 | H8 | 0.0° | 0.4° |
| C02 | C03 | H9 | H10 | 120.2° | 120.2° |
| C03 | C02 | C43 | H40 | 0.0° | 0.5° |
| C02 | C03 | N04 | H43 | 55.5° | 22.3° |
| C19 | N20 | C21 | H48 | 180.0° | 180.0° |
| C19 | N20 | C21 | O22 | 0.2° | 0.4° |
| C19 | N20 | C21 | C23 | 179.5° | 179.6° |
| N20 | C19 | C18 | H20 | 176.4° | 39.9° |
| N20 | C19 | C18 | H21 | 56.3° | 80.1° |
| N20 | C19 | H22 | H23 | 119.3° | 120.4° |
| C02 | C01 | C45 | H8 | 180.0° | 180.0° |
| C01 | C02 | C43 | C42 | 0.2° | 0.0° |
| C02 | C01 | C45 | C44 | 0.1° | 0.1° |
| C01 | C02 | C03 | H9 | 1.5° | 108.2° |
| C01 | C02 | C03 | H10 | 118.6° | 12.0° |
| C01 | C02 | C43 | H40 | 179.8° | 179.9° |
| C02 | C01 | C45 | H42 | 179.9° | 179.9° |
| C43 | C02 | C01 | C45 | 0.2° | 0.1° |
| C02 | C43 | C42 | H40 | 180.0° | 179.8° |
| C02 | C43 | C42 | C44 | 0.1° | 0.0° |
| C02 | C43 | C42 | C41 | 179.8° | 179.8° |
| C43 | C02 | C01 | H8 | 179.8° | 179.9° |
| C43 | C02 | C03 | H9 | 178.3° | 71.3° |
| C43 | C02 | C03 | H10 | 61.6° | 168.4° |
| C01 | C45 | C44 | H42 | 180.0° | 180.0° |
| C01 | C45 | C44 | C42 | 0.1° | 0.0° |
| C01 | C45 | C44 | H41 | 179.9° | 180.0° |
| C43 | C42 | C44 | C45 | 0.1° | 0.1° |
| C43 | C42 | C44 | C41 | 179.9° | 179.9° |
| C43 | C42 | C41 | C39 | 119.6° | 79.5° |
| C43 | C42 | C41 | H38 | 120.3° | 40.5° |
| C43 | C42 | C41 | H39 | 0.6° | 160.4° |
| C43 | C42 | C44 | H41 | 179.9° | 180.0° |
| N20 | C21 | O22 | C23 | 179.6° | 180.0° |
| N20 | C21 | C23 | N29 | 96.9° | 169.9° |
| N20 | C21 | C23 | C24 | 134.9° | 50.1° |
| C21 | N20 | C19 | H22 | 9.2° | 155.2° |
| N20 | C21 | C23 | H24 | 19.8° | 70.4° |
| C21 | N20 | C19 | H23 | 128.7° | 34.6° |
| O40 | C39 | C41 | C42 | 49.7° | 17.4° |
| O40 | C39 | C41 | N38 | 179.6° | 180.0° |
| O40 | C39 | N38 | C32 | 0.3° | 0.5° |
| O40 | C39 | C41 | H38 | 169.8° | 137.4° |
| O40 | C39 | C41 | H39 | 70.5° | 102.7° |
| O40 | C39 | N38 | H56 | 179.7° | 179.5° |
| C45 | C44 | C42 | H41 | 180.0° | 179.9° |
| C45 | C44 | C42 | C41 | 179.9° | 179.8° |
| C44 | C45 | C01 | H8 | 180.0° | 180.0° |
| C44 | C42 | C41 | C39 | 60.6° | 100.7° |
| C44 | C42 | C41 | H38 | 59.6° | 139.4° |
| C44 | C42 | C41 | H39 | 179.2° | 19.4° |
| C44 | C42 | C43 | H40 | 179.9° | 179.8° |
| C42 | C44 | C45 | H42 | 179.9° | 180.0° |
| C42 | C41 | C39 | H38 | 120.1° | 120.0° |
| C42 | C41 | C39 | H39 | 120.2° | 120.1° |
| C42 | C41 | C39 | N38 | 130.8° | 162.6° |
| C42 | C41 | H38 | H39 | 119.5° | 119.9° |
| C41 | C42 | C43 | H40 | 0.2° | 0.3° |
| C41 | C42 | C44 | H41 | 0.1° | 0.1° |
| O22 | C21 | C23 | N29 | 83.5° | 10.1° |
| O22 | C21 | C23 | C24 | 44.7° | 129.9° |
| O22 | C21 | C23 | H24 | 159.8° | 109.6° |
| O22 | C21 | N20 | H48 | 179.8° | 179.6° |
| C21 | C23 | N29 | C30 | 107.3° | 109.0° |
| C21 | C23 | N29 | C24 | 129.6° | 119.8° |
| C21 | C23 | N29 | H24 | 116.2° | 119.7° |
| C21 | C23 | C24 | H24 | 115.1° | 120.4° |
| C21 | C23 | C24 | C25 | 169.7° | 177.8° |
| C21 | C23 | C24 | H4 | 49.5° | 62.2° |
| C21 | C23 | C24 | H5 | 70.1° | 57.8° |
| C23 | C21 | N20 | H48 | 0.6° | 0.4° |
| C21 | C23 | N29 | H52 | 72.7° | 71.0° |
| C41 | C39 | N38 | C32 | 179.9° | 179.5° |
| C39 | C41 | H38 | H39 | 119.5° | 120.0° |
| C41 | C39 | N38 | H56 | 0.2° | 0.5° |
| C39 | N38 | C32 | C30 | 100.0° | 140.1° |
| C39 | N38 | C32 | H56 | 180.0° | 180.0° |
| C39 | N38 | C32 | C33 | 137.7° | 100.1° |
| C39 | N38 | C32 | H29 | 18.1° | 20.4° |
| N38 | C39 | C41 | H38 | 10.6° | 42.7° |
| N38 | C39 | C41 | H39 | 109.0° | 77.3° |
| O31 | C30 | C32 | N29 | 179.5° | 180.0° |
| O31 | C30 | C32 | N38 | 179.9° | 0.6° |
| O31 | C30 | C32 | C33 | 56.5° | 119.1° |
| O31 | C30 | N29 | C23 | 0.5° | 0.5° |
| O31 | C30 | C32 | H29 | 61.3° | 120.4° |
| O31 | C30 | N29 | H52 | 179.4° | 179.5° |
| C30 | C32 | N38 | C33 | 122.3° | 119.7° |
| C30 | C32 | N38 | H29 | 118.1° | 119.7° |
| C30 | C32 | C33 | H29 | 117.9° | 120.4° |
| C32 | C30 | N29 | C23 | 179.0° | 179.4° |
| C30 | C32 | C33 | C34 | 155.7° | 175.0° |
| C30 | C32 | C33 | H30 | 35.1° | 65.0° |
| C30 | C32 | C33 | H31 | 83.7° | 55.0° |
| C32 | C30 | N29 | H52 | 1.0° | 0.5° |
| C30 | C32 | N38 | H56 | 80.1° | 39.9° |
| N29 | C30 | C32 | N38 | 0.5° | 179.3° |
| N29 | C30 | C32 | C33 | 123.0° | 60.9° |
| C30 | N29 | C23 | H52 | 180.0° | 179.9° |
| C30 | N29 | C23 | C24 | 123.2° | 10.8° |
| C30 | N29 | C23 | H24 | 8.9° | 131.3° |
| N29 | C30 | C32 | H29 | 119.2° | 59.6° |
| N38 | C32 | C33 | H29 | 120.2° | 120.4° |
| N38 | C32 | C33 | C34 | 33.8° | 65.8° |
| N38 | C32 | C33 | H30 | 86.8° | 54.2° |
| N38 | C32 | C33 | H31 | 154.4° | 174.1° |
| C32 | C33 | C34 | H30 | 120.5° | 120.1° |
| C32 | C33 | C34 | H31 | 120.6° | 120.1° |
| C32 | C33 | C34 | C35 | 176.3° | 180.0° |
| C32 | C33 | H30 | H31 | 118.3° | 120.0° |
| C32 | C33 | C34 | H32 | 56.3° | 60.0° |
| C32 | C33 | C34 | H33 | 63.7° | 60.0° |
| C33 | C32 | N38 | H56 | 42.3° | 79.9° |
| N29 | C23 | C24 | H24 | 114.8° | 120.3° |
| N29 | C23 | C24 | C25 | 39.5° | 63.0° |
| N29 | C23 | C24 | H4 | 80.7° | 57.1° |
| N29 | C23 | C24 | H5 | 159.7° | 177.1° |
| C23 | C24 | C25 | H4 | 120.2° | 120.0° |
| C23 | C24 | C25 | H5 | 120.2° | 119.9° |
| C23 | C24 | C25 | C26 | 76.2° | 174.1° |
| C23 | C24 | H4 | H5 | 119.4° | 120.0° |
| C23 | C24 | C25 | H25 | 44.1° | 65.8° |
| C23 | C24 | C25 | H26 | 163.6° | 54.2° |
| C24 | C23 | N29 | H52 | 56.9° | 169.3° |
| C33 | C34 | C35 | H32 | 120.0° | 120.0° |
| C33 | C34 | C35 | H33 | 120.0° | 120.0° |
| C33 | C34 | C35 | C36 | 161.0° | 180.0° |
| C34 | C33 | C32 | H29 | 86.4° | 54.6° |
| C34 | C33 | H30 | H31 | 118.3° | 119.9° |
| C33 | C34 | H32 | H33 | 120.0° | 120.0° |
| C33 | C34 | C35 | H34 | 40.9° | 60.1° |
| C33 | C34 | C35 | H35 | 79.0° | 60.0° |
| C24 | C25 | C26 | H25 | 120.3° | 120.0° |
| C24 | C25 | C26 | H26 | 120.2° | 119.9° |
| C24 | C25 | C26 | C27 | 174.4° | 180.0° |
| C25 | C24 | H4 | H5 | 119.4° | 120.0° |
| C24 | C25 | C26 | H6 | 54.5° | 60.0° |
| C24 | C25 | C26 | H7 | 65.7° | 60.1° |
| C25 | C24 | C23 | H24 | 75.3° | 57.4° |
| C24 | C25 | H25 | H26 | 119.3° | 119.9° |
| C34 | C35 | C36 | H34 | 120.1° | 119.9° |
| C34 | C35 | C36 | H35 | 120.0° | 120.0° |
| C34 | C35 | C36 | N37 | 130.5° | 180.0° |
| C35 | C34 | C33 | H30 | 63.1° | 59.9° |
| C35 | C34 | C33 | H31 | 55.8° | 59.9° |
| C35 | C34 | H32 | H33 | 120.0° | 120.0° |
| C34 | C35 | H34 | H35 | 119.8° | 120.0° |
| C34 | C35 | C36 | H36 | 109.3° | 60.0° |
| C34 | C35 | C36 | H37 | 10.4° | 60.0° |
| C25 | C26 | C27 | H6 | 119.9° | 120.0° |
| C25 | C26 | C27 | H7 | 119.9° | 120.0° |
| C25 | C26 | C27 | N28 | 154.3° | 180.0° |
| C26 | C25 | C24 | H4 | 163.6° | 54.1° |
| C26 | C25 | C24 | H5 | 44.1° | 65.9° |
| C25 | C26 | H6 | H7 | 120.2° | 120.1° |
| C26 | C25 | H25 | H26 | 119.3° | 120.1° |
| C25 | C26 | C27 | H27 | 85.6° | 59.9° |
| C25 | C26 | C27 | H28 | 34.2° | 60.0° |
| C35 | C36 | N37 | H36 | 120.1° | 120.0° |
| C35 | C36 | N37 | H37 | 120.1° | 120.0° |
| C36 | C35 | C34 | H32 | 79.0° | 60.0° |
| C36 | C35 | C34 | H33 | 41.0° | 60.0° |
| C36 | C35 | H34 | H35 | 119.9° | 120.1° |
| C35 | C36 | H36 | H37 | 119.6° | 120.1° |
| C35 | C36 | N37 | H53 | 180.0° | 180.0° |
| C35 | C36 | N37 | H54 | 60.0° | 56.1° |
| C26 | C27 | N28 | H27 | 120.1° | 120.0° |
| C26 | C27 | N28 | H28 | 120.1° | 120.0° |
| C27 | C26 | H6 | H7 | 120.2° | 119.9° |
| C27 | C26 | C25 | H25 | 65.3° | 60.0° |
| C27 | C26 | C25 | H26 | 54.2° | 60.1° |
| C26 | C27 | H27 | H28 | 119.6° | 120.0° |
| C26 | C27 | N28 | H49 | 180.0° | 180.0° |
| C26 | C27 | N28 | H50 | 60.0° | 56.0° |
| N37 | C36 | C35 | H34 | 10.5° | 60.1° |
| N37 | C36 | C35 | H35 | 109.4° | 60.0° |
| N37 | C36 | H36 | H37 | 119.6° | 120.0° |
| C36 | N37 | H53 | H54 | 120.0° | 123.9° |
| N28 | C27 | C26 | H6 | 34.4° | 60.0° |
| N28 | C27 | C26 | H7 | 85.8° | 60.0° |
| N28 | C27 | H27 | H28 | 119.7° | 120.0° |
| C27 | N28 | H49 | H50 | 120.0° | 123.9° |
| H1 | N12 | C11 | H17 | 128.2° | 5.1° |
| H2 | C17 | C16 | H18 | 167.7° | 19.0° |
| H2 | C17 | C16 | H19 | 72.8° | 101.0° |
| H2 | C17 | C18 | H20 | 168.5° | 154.4° |
| H2 | C17 | C18 | H21 | 71.4° | 85.6° |
| H3 | C17 | C16 | H18 | 47.4° | 101.0° |
| H3 | C17 | C16 | H19 | 166.9° | 139.0° |
| H3 | C17 | C18 | H20 | 48.3° | 34.4° |
| H3 | C17 | C18 | H21 | 168.4° | 154.4° |
| H4 | C24 | C23 | H24 | 164.5° | 177.4° |
| H4 | C24 | C25 | H25 | 76.1° | 174.1° |
| H4 | C24 | C25 | H26 | 43.4° | 65.9° |
| H5 | C24 | C23 | H24 | 44.9° | 62.6° |
| H5 | C24 | C25 | H25 | 164.3° | 54.1° |
| H5 | C24 | C25 | H26 | 76.2° | 174.1° |
| H6 | C26 | C25 | H25 | 174.7° | 180.0° |
| H6 | C26 | C25 | H26 | 65.8° | 59.9° |
| H6 | C26 | C27 | H27 | 154.5° | 180.0° |
| H6 | C26 | C27 | H28 | 85.7° | 60.0° |
| H7 | C26 | C25 | H25 | 54.6° | 59.9° |
| H7 | C26 | C25 | H26 | 174.1° | 180.0° |
| H7 | C26 | C27 | H27 | 34.3° | 60.0° |
| H7 | C26 | C27 | H28 | 154.1° | 180.0° |
| H8 | C01 | C45 | H42 | 0.0° | 0.1° |
| H9 | C03 | N04 | H43 | 64.4° | 141.8° |
| H10 | C03 | N04 | H43 | 175.4° | 97.5° |
| H11 | C06 | C07 | H13 | 166.7° | 169.9° |
| H11 | C06 | C07 | H14 | 73.2° | 70.0° |
| H12 | C06 | C07 | H13 | 73.4° | 49.9° |
| H12 | C06 | C07 | H14 | 46.6° | 170.0° |
| H13 | C07 | C08 | H15 | 54.4° | 136.6° |
| H13 | C07 | C08 | H16 | 65.8° | 103.4° |
| H14 | C07 | C08 | H15 | 174.4° | 16.6° |
| H14 | C07 | C08 | H16 | 54.2° | 136.6° |
| H15 | C08 | N09 | H44 | 140.1° | 65.2° |
| H16 | C08 | N09 | H44 | 99.7° | 174.8° |
| H17 | C11 | C16 | H18 | 169.1° | 166.8° |
| H17 | C11 | C16 | H19 | 49.6° | 73.2° |
| H20 | C18 | C19 | H22 | 63.3° | 159.6° |
| H20 | C18 | C19 | H23 | 56.2° | 79.8° |
| H21 | C18 | C19 | H22 | 176.5° | 39.7° |
| H21 | C18 | C19 | H23 | 63.9° | 160.2° |
| H22 | C19 | N20 | H48 | 170.9° | 24.8° |
| H24 | C23 | N29 | H52 | 171.1° | 48.8° |
| H27 | C27 | N28 | H49 | 59.9° | 60.0° |
| H27 | C27 | N28 | H50 | 180.0° | 176.0° |
| H28 | C27 | N28 | H49 | 59.9° | 60.0° |
| H28 | C27 | N28 | H50 | 60.1° | 64.0° |
| H29 | C32 | C33 | H30 | 153.0° | 174.6° |
| H29 | C32 | C33 | H31 | 34.2° | 65.5° |
| H29 | C32 | N38 | H56 | 161.8° | 159.6° |
| H30 | C33 | C34 | H32 | 176.9° | 179.9° |
| H30 | C33 | C34 | H33 | 56.9° | 60.1° |
| H31 | C33 | C34 | H32 | 64.2° | 60.1° |
| H31 | C33 | C34 | H33 | 175.8° | 179.9° |
| H32 | C34 | C35 | H34 | 160.9° | 180.0° |
| H32 | C34 | C35 | H35 | 41.0° | 60.0° |
| H33 | C34 | C35 | H34 | 79.1° | 60.0° |
| H33 | C34 | C35 | H35 | 161.0° | 180.0° |
| H34 | C35 | C36 | H36 | 130.6° | 180.0° |
| H34 | C35 | C36 | H37 | 109.7° | 59.9° |
| H35 | C35 | C36 | H36 | 10.7° | 60.0° |
| H35 | C35 | C36 | H37 | 130.4° | 180.0° |
| H36 | C36 | N37 | H53 | 59.9° | 60.0° |
| H36 | C36 | N37 | H54 | 179.9° | 176.0° |
| H37 | C36 | N37 | H53 | 59.8° | 60.0° |
| H37 | C36 | N37 | H54 | 60.1° | 64.0° |
| H41 | C44 | C45 | H42 | 0.1° | 0.1° |
| H48 | N20 | C19 | H23 | 51.3° | 145.4° |
