4R2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O20 | C19 | doub | 1.22Å | 1.24Å | |
| N12 | C10 | doub | 1.30Å | 1.47Å | |
| N18 | C19 | sing | 1.35Å | 1.40Å | |
| N18 | C16 | sing | 1.34Å | 1.38Å | |
| O17 | C16 | doub | 1.22Å | 1.26Å | |
| C19 | C13 | sing | 1.41Å | 1.36Å | |
| C16 | N15 | sing | 1.35Å | 1.34Å | |
| C08 | N09 | sing | 1.47Å | 1.46Å | |
| C08 | C07 | sing | 1.51Å | 1.53Å | |
| C10 | N11 | sing | 1.38Å | 1.32Å | |
| C10 | N09 | sing | 1.37Å | 1.45Å | |
| C06 | C07 | doub | 1.33Å | 1.48Å | |
| C06 | C04 | sing | 1.47Å | 1.49Å | |
| C13 | C14 | doub | 1.38Å | 1.40Å | |
| C13 | N03 | sing | 1.41Å | 1.48Å | |
| N15 | C14 | sing | 1.37Å | 1.34Å | |
| C14 | N21 | sing | 1.37Å | 1.43Å | |
| N03 | C04 | sing | 1.35Å | 1.46Å | |
| N03 | C02 | sing | 1.40Å | 1.42Å | |
| C04 | O05 | doub | 1.22Å | 1.28Å | |
| C02 | C01 | doub | 1.38Å | 1.39Å | Aromatic |
| C02 | C22 | sing | 1.40Å | 1.41Å | Aromatic |
| N21 | C22 | sing | 1.40Å | 1.42Å | |
| N21 | C28 | sing | 1.47Å | 1.48Å | |
| C01 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C29 | O30 | sing | 1.43Å | 1.45Å | |
| C29 | C28 | sing | 1.53Å | 1.54Å | |
| C29 | C31 | sing | 1.53Å | 1.55Å | |
| O34 | C33 | sing | 1.43Å | 1.52Å | |
| C22 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C33 | C31 | sing | 1.53Å | 1.54Å | |
| C33 | C35 | sing | 1.53Å | 1.52Å | |
| C25 | C26 | sing | 1.51Å | 1.56Å | |
| C25 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
| C31 | O32 | sing | 1.43Å | 1.44Å | |
| O36 | C35 | sing | 1.43Å | 1.46Å | |
| O36 | P37 | sing | 1.61Å | 1.59Å | |
| C23 | C24 | sing | 1.38Å | 1.40Å | Aromatic |
| O38 | P37 | doub | 1.48Å | 1.49Å | |
| C24 | C27 | sing | 1.51Å | 1.51Å | |
| O43 | P41 | doub | 1.48Å | 1.48Å | |
| P37 | O40 | sing | 1.61Å | 1.62Å | |
| P37 | O39 | sing | 1.61Å | 1.48Å | |
| P41 | O44 | sing | 1.61Å | 1.57Å | |
| P41 | O40 | sing | 1.61Å | 1.59Å | |
| P41 | O42 | sing | 1.61Å | 1.49Å | |
| O44 | C45 | sing | 1.43Å | 1.44Å | |
| O62 | C61 | sing | 1.43Å | 1.42Å | |
| C46 | C45 | sing | 1.53Å | 1.50Å | |
| C46 | C61 | sing | 1.54Å | 1.56Å | |
| C46 | O47 | sing | 1.44Å | 1.45Å | |
| C61 | C59 | sing | 1.54Å | 1.55Å | |
| O47 | C48 | sing | 1.44Å | 1.44Å | |
| C59 | C48 | sing | 1.55Å | 1.53Å | |
| C59 | O60 | sing | 1.43Å | 1.42Å | |
| C48 | N49 | sing | 1.47Å | 1.46Å | |
| N54 | C55 | doub | 1.32Å | 1.35Å | Aromatic |
| N54 | C53 | sing | 1.33Å | 1.37Å | Aromatic |
| N49 | C53 | sing | 1.37Å | 1.35Å | Aromatic |
| N49 | C50 | sing | 1.36Å | 1.38Å | Aromatic |
| C55 | N56 | sing | 1.32Å | 1.33Å | Aromatic |
| C53 | C52 | doub | 1.40Å | 1.39Å | Aromatic |
| C50 | N51 | doub | 1.30Å | 1.34Å | Aromatic |
| N56 | C57 | doub | 1.33Å | 1.36Å | Aromatic |
| C52 | N51 | sing | 1.35Å | 1.39Å | Aromatic |
| C52 | C57 | sing | 1.41Å | 1.39Å | Aromatic |
| C57 | N58 | sing | 1.38Å | 1.37Å | |
| C01 | H1 | sing | 1.08Å | 1.08Å | |
| C06 | H2 | sing | 1.08Å | 1.08Å | |
| C07 | H3 | sing | 1.08Å | 1.08Å | |
| C08 | H4 | sing | 1.09Å | 1.10Å | |
| C08 | H5 | sing | 1.09Å | 1.10Å | |
| C23 | H6 | sing | 1.08Å | 1.08Å | |
| C26 | H7 | sing | 1.09Å | 1.10Å | |
| C26 | H8 | sing | 1.09Å | 1.10Å | |
| C26 | H9 | sing | 1.09Å | 1.10Å | |
| C27 | H10 | sing | 1.09Å | 1.10Å | |
| C27 | H11 | sing | 1.09Å | 1.10Å | |
| C27 | H12 | sing | 1.09Å | 1.10Å | |
| C28 | H13 | sing | 1.09Å | 1.10Å | |
| C28 | H14 | sing | 1.09Å | 1.10Å | |
| C29 | H15 | sing | 1.09Å | 1.10Å | |
| C31 | H16 | sing | 1.09Å | 1.10Å | |
| C33 | H17 | sing | 1.09Å | 1.10Å | |
| C35 | H18 | sing | 1.09Å | 1.10Å | |
| C35 | H19 | sing | 1.09Å | 1.10Å | |
| C45 | H20 | sing | 1.09Å | 1.10Å | |
| C45 | H21 | sing | 1.09Å | 1.10Å | |
| C46 | H22 | sing | 1.09Å | 1.10Å | |
| C48 | H23 | sing | 1.09Å | 1.10Å | |
| C50 | H24 | sing | 1.08Å | 1.08Å | |
| C55 | H25 | sing | 1.08Å | 1.08Å | |
| C59 | H26 | sing | 1.09Å | 1.10Å | |
| C61 | H27 | sing | 1.09Å | 1.10Å | |
| N09 | H28 | sing | 0.97Å | 1.00Å | |
| N11 | H29 | sing | 0.97Å | 1.00Å | |
| N11 | H30 | sing | 0.97Å | 1.00Å | |
| N12 | H31 | sing | 0.97Å | 1.00Å | |
| N15 | H32 | sing | 0.97Å | 1.00Å | |
| N18 | H33 | sing | 0.97Å | 1.00Å | |
| N58 | H34 | sing | 0.97Å | 1.00Å | |
| N58 | H35 | sing | 0.97Å | 1.00Å | |
| O30 | H36 | sing | 0.97Å | 0.95Å | |
| O32 | H37 | sing | 0.97Å | 0.95Å | |
| O34 | H38 | sing | 0.97Å | 0.95Å | |
| O39 | H39 | sing | 0.97Å | 0.95Å | |
| O42 | H40 | sing | 0.97Å | 0.95Å | |
| O60 | H41 | sing | 0.97Å | 0.95Å | |
| O62 | H42 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O20 | C19 | N18 | 118.0° | 120.4° |
| O20 | C19 | C13 | 125.0° | 120.4° |
| N12 | C10 | N11 | 107.3° | 120.0° |
| N12 | C10 | N09 | 117.9° | 120.0° |
| C10 | N12 | H31 | 112.0° | 120.0° |
| C19 | N18 | C16 | 121.5° | 120.7° |
| N18 | C19 | C13 | 115.7° | 119.2° |
| C19 | N18 | H33 | 119.3° | 119.6° |
| N18 | C16 | O17 | 118.1° | 119.3° |
| N18 | C16 | N15 | 120.9° | 121.4° |
| C16 | N18 | H33 | 119.3° | 119.6° |
| O17 | C16 | N15 | 121.0° | 119.3° |
| C19 | C13 | C14 | 115.6° | 119.3° |
| C19 | C13 | N03 | 123.5° | 120.8° |
| C16 | N15 | C14 | 115.7° | 120.2° |
| C16 | N15 | H32 | 122.1° | 119.9° |
| N09 | C08 | C07 | 105.1° | 109.4° |
| C08 | N09 | C10 | 118.6° | 120.0° |
| N09 | C08 | H4 | 110.5° | 109.5° |
| N09 | C08 | H5 | 110.5° | 109.5° |
| C08 | N09 | H28 | 120.7° | 120.0° |
| C08 | C07 | C06 | 118.3° | 120.0° |
| C08 | C07 | H3 | 120.9° | 120.0° |
| C07 | C08 | H4 | 110.6° | 109.5° |
| C07 | C08 | H5 | 110.6° | 109.5° |
| N11 | C10 | N09 | 134.8° | 120.0° |
| C10 | N11 | H29 | 120.0° | 120.0° |
| C10 | N11 | H30 | 120.0° | 120.0° |
| C10 | N09 | H28 | 120.7° | 120.0° |
| C07 | C06 | C04 | 115.3° | 120.0° |
| C07 | C06 | H2 | 122.3° | 120.0° |
| C06 | C07 | H3 | 120.8° | 120.1° |
| C06 | C04 | N03 | 121.7° | 120.0° |
| C06 | C04 | O05 | 113.4° | 120.0° |
| C04 | C06 | H2 | 122.3° | 120.0° |
| C14 | C13 | N03 | 118.7° | 119.9° |
| C13 | C14 | N15 | 124.6° | 119.2° |
| C13 | C14 | N21 | 120.0° | 120.1° |
| C13 | N03 | C04 | 120.3° | 120.7° |
| C13 | N03 | C02 | 115.7° | 118.6° |
| N15 | C14 | N21 | 114.1° | 120.7° |
| C14 | N15 | H32 | 122.1° | 119.9° |
| C14 | N21 | C22 | 115.7° | 119.7° |
| C14 | N21 | C28 | 117.6° | 120.2° |
| C04 | N03 | C02 | 117.1° | 120.7° |
| N03 | C04 | O05 | 124.9° | 120.0° |
| N03 | C02 | C01 | 118.7° | 120.7° |
| N03 | C02 | C22 | 119.3° | 119.2° |
| C01 | C02 | C22 | 121.8° | 120.0° |
| C02 | C01 | C25 | 120.2° | 119.8° |
| C02 | C01 | H1 | 119.9° | 120.1° |
| C02 | C22 | N21 | 120.6° | 119.6° |
| C02 | C22 | C23 | 117.4° | 119.8° |
| C22 | N21 | C28 | 123.5° | 120.1° |
| N21 | C22 | C23 | 121.9° | 120.6° |
| N21 | C28 | C29 | 120.9° | 109.4° |
| N21 | C28 | H13 | 106.5° | 109.5° |
| N21 | C28 | H14 | 106.5° | 109.5° |
| C01 | C25 | C26 | 119.2° | 119.9° |
| C01 | C25 | C24 | 119.1° | 120.2° |
| C25 | C01 | H1 | 119.9° | 120.2° |
| O30 | C29 | C28 | 104.5° | 109.5° |
| O30 | C29 | C31 | 110.4° | 109.5° |
| O30 | C29 | H15 | 112.9° | 109.5° |
| C29 | O30 | H36 | 109.5° | 114.0° |
| C28 | C29 | C31 | 105.9° | 109.4° |
| C29 | C28 | H13 | 106.5° | 109.4° |
| C29 | C28 | H14 | 106.5° | 109.5° |
| C28 | C29 | H15 | 111.5° | 109.5° |
| C29 | C31 | C33 | 113.3° | 109.5° |
| C29 | C31 | O32 | 112.8° | 109.5° |
| C31 | C29 | H15 | 111.3° | 109.4° |
| C29 | C31 | H16 | 108.8° | 109.4° |
| O34 | C33 | C31 | 105.8° | 109.5° |
| O34 | C33 | C35 | 107.6° | 109.5° |
| O34 | C33 | H17 | 110.9° | 109.5° |
| C33 | O34 | H38 | 109.5° | 114.0° |
| C22 | C23 | C24 | 120.5° | 119.8° |
| C22 | C23 | H6 | 119.7° | 120.1° |
| C31 | C33 | C35 | 110.6° | 109.5° |
| C33 | C31 | O32 | 102.6° | 109.5° |
| C33 | C31 | H16 | 108.9° | 109.5° |
| C31 | C33 | H17 | 110.7° | 109.5° |
| C33 | C35 | O36 | 103.4° | 109.5° |
| C35 | C33 | H17 | 111.0° | 109.4° |
| C33 | C35 | H18 | 111.0° | 109.5° |
| C33 | C35 | H19 | 111.0° | 109.4° |
| C26 | C25 | C24 | 121.7° | 119.9° |
| C25 | C26 | H7 | 109.5° | 109.5° |
| C25 | C26 | H8 | 109.5° | 109.5° |
| C25 | C26 | H9 | 109.5° | 109.5° |
| C25 | C24 | C23 | 120.8° | 120.3° |
| C25 | C24 | C27 | 119.9° | 119.9° |
| O32 | C31 | H16 | 110.3° | 109.5° |
| C31 | O32 | H37 | 109.5° | 114.0° |
| C35 | O36 | P37 | 119.2° | 123.0° |
| O36 | C35 | H18 | 111.0° | 109.5° |
| O36 | C35 | H19 | 111.0° | 109.5° |
| O36 | P37 | O38 | 106.5° | 109.5° |
| O36 | P37 | O40 | 100.8° | 109.5° |
| O36 | P37 | O39 | 109.7° | 109.5° |
| C23 | C24 | C27 | 119.3° | 119.8° |
| C24 | C23 | H6 | 119.7° | 120.1° |
| O38 | P37 | O40 | 110.2° | 109.4° |
| O38 | P37 | O39 | 123.1° | 109.5° |
| C24 | C27 | H10 | 109.5° | 109.4° |
| C24 | C27 | H11 | 109.5° | 109.5° |
| C24 | C27 | H12 | 109.5° | 109.5° |
| O43 | P41 | O44 | 105.9° | 109.4° |
| O43 | P41 | O40 | 110.2° | 109.5° |
| O43 | P41 | O42 | 119.5° | 109.5° |
| O40 | P37 | O39 | 104.3° | 109.4° |
| P37 | O40 | P41 | 134.3° | 134.0° |
| P37 | O39 | H39 | 109.5° | 114.0° |
| O44 | P41 | O40 | 103.9° | 109.5° |
| O44 | P41 | O42 | 109.9° | 109.5° |
| P41 | O44 | C45 | 124.1° | 123.0° |
| O40 | P41 | O42 | 106.5° | 109.5° |
| P41 | O42 | H40 | 109.5° | 114.0° |
| O44 | C45 | C46 | 102.0° | 109.5° |
| O44 | C45 | H20 | 111.3° | 109.5° |
| O44 | C45 | H21 | 111.3° | 109.5° |
| O62 | C61 | C46 | 113.2° | 110.5° |
| O62 | C61 | C59 | 113.0° | 110.5° |
| O62 | C61 | H27 | 110.3° | 110.6° |
| C61 | O62 | H42 | 109.5° | 114.0° |
| C45 | C46 | C61 | 115.1° | 110.3° |
| C45 | C46 | O47 | 105.2° | 110.4° |
| C46 | C45 | H20 | 111.3° | 109.5° |
| C46 | C45 | H21 | 111.3° | 109.4° |
| C45 | C46 | H22 | 110.0° | 110.3° |
| C61 | C46 | O47 | 106.3° | 104.8° |
| C46 | C61 | C59 | 102.9° | 104.1° |
| C61 | C46 | H22 | 109.2° | 110.3° |
| C46 | C61 | H27 | 108.5° | 110.5° |
| C46 | O47 | C48 | 105.9° | 105.3° |
| O47 | C46 | H22 | 110.8° | 110.5° |
| C61 | C59 | C48 | 101.3° | 104.0° |
| C61 | C59 | O60 | 117.4° | 110.5° |
| C61 | C59 | H26 | 107.1° | 110.6° |
| C59 | C61 | H27 | 108.5° | 110.5° |
| O47 | C48 | C59 | 102.7° | 104.8° |
| O47 | C48 | N49 | 109.3° | 110.4° |
| O47 | C48 | H23 | 111.1° | 110.5° |
| C48 | C59 | O60 | 114.4° | 110.5° |
| C59 | C48 | N49 | 112.7° | 110.4° |
| C59 | C48 | H23 | 109.9° | 110.4° |
| C48 | C59 | H26 | 107.3° | 110.5° |
| O60 | C59 | H26 | 108.7° | 110.5° |
| C59 | O60 | H41 | 109.5° | 114.0° |
| C48 | N49 | C53 | 124.5° | 126.3° |
| C48 | N49 | C50 | 127.7° | 126.2° |
| N49 | C48 | H23 | 110.9° | 110.3° |
| C55 | N54 | C53 | 110.2° | 120.6° |
| N54 | C55 | N56 | 128.2° | 122.5° |
| N54 | C55 | H25 | 115.9° | 118.7° |
| N54 | C53 | N49 | 126.6° | 134.9° |
| N54 | C53 | C52 | 126.7° | 119.1° |
| C53 | N49 | C50 | 107.7° | 107.5° |
| N49 | C53 | C52 | 106.7° | 106.0° |
| N49 | C50 | N51 | 111.2° | 109.9° |
| N49 | C50 | H24 | 124.4° | 125.1° |
| C55 | N56 | C57 | 120.1° | 121.2° |
| N56 | C55 | H25 | 115.9° | 118.8° |
| C53 | C52 | N51 | 109.8° | 107.2° |
| C53 | C52 | C57 | 117.2° | 118.2° |
| C50 | N51 | C52 | 104.5° | 109.5° |
| N51 | C50 | H24 | 124.4° | 125.0° |
| N56 | C57 | C52 | 117.6° | 118.5° |
| N56 | C57 | N58 | 117.2° | 120.8° |
| N51 | C52 | C57 | 133.0° | 134.7° |
| C52 | C57 | N58 | 125.2° | 120.8° |
| C57 | N58 | H34 | 109.5° | 120.0° |
| C57 | N58 | H35 | 109.5° | 120.0° |
| H4 | C08 | H5 | 109.5° | 109.5° |
| H7 | C26 | H8 | 109.5° | 109.5° |
| H7 | C26 | H9 | 109.5° | 109.4° |
| H8 | C26 | H9 | 109.4° | 109.5° |
| H10 | C27 | H11 | 109.5° | 109.4° |
| H10 | C27 | H12 | 109.4° | 109.5° |
| H11 | C27 | H12 | 109.5° | 109.5° |
| H13 | C28 | H14 | 109.5° | 109.5° |
| H18 | C35 | H19 | 109.4° | 109.5° |
| H20 | C45 | H21 | 109.4° | 109.5° |
| H29 | N11 | H30 | 120.0° | 120.0° |
| H34 | N58 | H35 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O20 | C19 | N18 | C13 | 167.0° | 179.9° |
| O20 | C19 | N18 | C16 | 179.9° | 180.0° |
| O20 | C19 | C13 | C14 | 167.6° | 180.0° |
| O20 | C19 | C13 | N03 | 4.4° | 0.0° |
| O20 | C19 | N18 | H33 | 0.1° | 0.0° |
| N12 | C10 | N09 | C08 | 0.1° | 0.0° |
| N12 | C10 | N11 | N09 | 179.9° | 180.0° |
| N12 | C10 | N09 | H28 | 179.9° | 180.0° |
| N12 | C10 | N11 | H29 | 179.9° | 180.0° |
| N12 | C10 | N11 | H30 | 0.1° | 0.0° |
| C19 | N18 | C16 | H33 | 180.0° | 180.0° |
| C19 | N18 | C16 | O17 | 178.0° | 180.0° |
| C19 | N18 | C16 | N15 | 2.4° | 0.0° |
| N18 | C19 | C13 | C14 | 26.4° | 0.1° |
| N18 | C19 | C13 | N03 | 170.4° | 179.9° |
| N18 | C16 | O17 | N15 | 179.7° | 180.0° |
| C16 | N18 | C19 | C13 | 13.1° | 0.1° |
| N18 | C16 | N15 | C14 | 2.8° | 0.0° |
| N18 | C16 | N15 | H32 | 177.2° | 179.9° |
| O17 | C16 | N15 | C14 | 177.5° | 180.0° |
| O17 | C16 | N15 | H32 | 2.5° | 0.1° |
| O17 | C16 | N18 | H33 | 2.0° | 0.0° |
| C19 | C13 | C14 | N03 | 164.1° | 180.0° |
| C19 | C13 | C14 | N15 | 28.4° | 0.1° |
| C19 | C13 | C14 | N21 | 165.5° | 179.9° |
| C19 | C13 | N03 | C04 | 70.6° | 13.4° |
| C19 | C13 | N03 | C02 | 139.1° | 166.6° |
| C13 | C19 | N18 | H33 | 166.9° | 179.9° |
| C16 | N15 | C14 | C13 | 12.8° | 0.0° |
| C16 | N15 | C14 | H32 | 180.0° | 179.9° |
| C16 | N15 | C14 | N21 | 179.7° | 180.0° |
| N15 | C16 | N18 | H33 | 177.7° | 180.0° |
| N09 | C08 | C07 | H4 | 119.3° | 120.0° |
| N09 | C08 | C07 | H5 | 119.3° | 120.0° |
| C08 | N09 | C10 | N11 | 179.7° | 180.0° |
| C08 | N09 | C10 | H28 | 180.0° | 179.9° |
| N09 | C08 | C07 | C06 | 165.4° | 125.0° |
| N09 | C08 | C07 | H3 | 14.6° | 55.0° |
| N09 | C08 | H4 | H5 | 122.0° | 120.0° |
| C07 | C08 | N09 | C10 | 177.9° | 180.0° |
| C08 | C07 | C06 | H3 | 180.0° | 180.0° |
| C08 | C07 | C06 | C04 | 173.2° | 180.0° |
| C08 | C07 | C06 | H2 | 6.8° | 0.0° |
| C07 | C08 | H4 | H5 | 122.1° | 120.1° |
| C07 | C08 | N09 | H28 | 2.1° | 0.0° |
| N11 | C10 | N09 | H28 | 0.3° | 0.1° |
| C10 | N11 | H29 | H30 | 180.0° | 180.0° |
| N11 | C10 | N12 | H31 | 179.9° | 179.9° |
| C10 | N09 | C08 | H4 | 62.7° | 60.0° |
| C10 | N09 | C08 | H5 | 58.6° | 60.0° |
| N09 | C10 | N11 | H29 | 0.0° | 0.0° |
| N09 | C10 | N11 | H30 | 180.0° | 180.0° |
| N09 | C10 | N12 | H31 | 0.0° | 0.1° |
| C07 | C06 | C04 | H2 | 180.0° | 180.0° |
| C07 | C06 | C04 | N03 | 174.9° | 173.8° |
| C07 | C06 | C04 | O05 | 4.4° | 6.2° |
| C06 | C07 | C08 | H4 | 75.3° | 115.0° |
| C06 | C07 | C08 | H5 | 46.1° | 5.0° |
| C06 | C04 | N03 | C13 | 19.6° | 156.2° |
| C06 | C04 | N03 | O05 | 179.2° | 180.0° |
| C06 | C04 | N03 | C02 | 169.5° | 23.7° |
| C04 | C06 | C07 | H3 | 6.8° | 0.0° |
| C13 | C14 | N15 | N21 | 166.8° | 180.0° |
| C14 | C13 | N03 | C04 | 126.7° | 166.6° |
| C14 | C13 | N03 | C02 | 23.6° | 13.4° |
| C13 | C14 | N21 | C22 | 26.4° | 13.7° |
| C13 | C14 | N21 | C28 | 173.2° | 166.4° |
| C13 | C14 | N15 | H32 | 167.2° | 179.9° |
| N03 | C13 | C14 | N15 | 167.5° | 179.9° |
| N03 | C13 | C14 | N21 | 1.4° | 0.1° |
| C13 | N03 | C04 | C02 | 149.9° | 180.0° |
| C13 | N03 | C04 | O05 | 159.6° | 23.7° |
| C13 | N03 | C02 | C01 | 151.2° | 166.7° |
| C13 | N03 | C02 | C22 | 23.3° | 13.1° |
| N15 | C14 | N21 | C22 | 166.1° | 166.3° |
| N15 | C14 | N21 | C28 | 5.7° | 13.6° |
| C14 | N21 | C22 | C02 | 26.9° | 13.8° |
| C14 | N21 | C22 | C28 | 159.1° | 179.9° |
| C14 | N21 | C28 | C29 | 71.4° | 90.0° |
| C14 | N21 | C22 | C23 | 154.0° | 166.3° |
| C14 | N21 | C28 | H13 | 50.2° | 29.9° |
| C14 | N21 | C28 | H14 | 167.0° | 149.9° |
| N21 | C14 | N15 | H32 | 0.3° | 0.1° |
| C04 | N03 | C02 | C01 | 57.6° | 13.3° |
| C04 | N03 | C02 | C22 | 127.9° | 166.8° |
| N03 | C04 | C06 | H2 | 5.1° | 6.2° |
| C02 | N03 | C04 | O05 | 9.7° | 156.3° |
| N03 | C02 | C01 | C22 | 174.3° | 179.9° |
| N03 | C02 | C22 | N21 | 1.8° | 0.2° |
| N03 | C02 | C01 | C25 | 179.6° | 179.8° |
| N03 | C02 | C22 | C23 | 179.2° | 179.9° |
| N03 | C02 | C01 | H1 | 0.4° | 0.5° |
| O05 | C04 | C06 | H2 | 175.6° | 173.8° |
| C01 | C02 | C22 | N21 | 176.1° | 179.9° |
| C02 | C01 | C25 | H1 | 180.0° | 179.7° |
| C01 | C02 | C22 | C23 | 4.9° | 0.0° |
| C02 | C01 | C25 | C26 | 177.9° | 179.7° |
| C02 | C01 | C25 | C24 | 2.4° | 0.0° |
| C02 | C22 | N21 | C23 | 179.0° | 179.9° |
| C02 | C22 | N21 | C28 | 173.9° | 166.3° |
| C22 | C02 | C01 | C25 | 5.3° | 0.0° |
| C02 | C22 | C23 | C24 | 1.8° | 0.0° |
| C22 | C02 | C01 | H1 | 174.8° | 179.7° |
| C02 | C22 | C23 | H6 | 178.2° | 180.0° |
| C22 | N21 | C28 | C29 | 87.4° | 90.1° |
| N21 | C22 | C23 | C24 | 179.2° | 179.9° |
| N21 | C22 | C23 | H6 | 0.8° | 0.1° |
| C22 | N21 | C28 | H13 | 151.0° | 150.0° |
| C22 | N21 | C28 | H14 | 34.2° | 30.0° |
| N21 | C28 | C29 | O30 | 59.7° | 60.0° |
| N21 | C28 | C29 | H13 | 121.6° | 120.0° |
| N21 | C28 | C29 | H14 | 121.6° | 120.0° |
| N21 | C28 | C29 | C31 | 176.3° | 180.0° |
| C28 | N21 | C22 | C23 | 5.1° | 13.6° |
| N21 | C28 | H13 | H14 | 114.9° | 120.0° |
| N21 | C28 | C29 | H15 | 62.5° | 60.1° |
| C01 | C25 | C26 | C24 | 179.7° | 179.7° |
| C01 | C25 | C24 | C23 | 0.6° | 0.0° |
| C01 | C25 | C24 | C27 | 179.7° | 179.9° |
| C01 | C25 | C26 | H7 | 89.9° | 90.0° |
| C01 | C25 | C26 | H8 | 150.1° | 150.0° |
| C01 | C25 | C26 | H9 | 30.2° | 30.0° |
| O30 | C29 | C28 | C31 | 116.6° | 120.0° |
| O30 | C29 | C28 | H15 | 122.2° | 120.0° |
| O30 | C29 | C31 | H15 | 126.2° | 120.0° |
| O30 | C29 | C31 | C33 | 79.7° | 60.0° |
| O30 | C29 | C31 | O32 | 164.3° | 180.0° |
| O30 | C29 | C28 | H13 | 178.7° | 60.0° |
| O30 | C29 | C28 | H14 | 61.8° | 180.0° |
| O30 | C29 | C31 | H16 | 41.6° | 60.0° |
| C28 | C29 | C31 | H15 | 121.3° | 120.0° |
| C28 | C29 | C31 | C33 | 167.8° | 180.0° |
| C28 | C29 | C31 | O32 | 51.8° | 60.0° |
| C29 | C28 | H13 | H14 | 114.9° | 120.0° |
| C28 | C29 | C31 | H16 | 70.9° | 60.0° |
| C28 | C29 | O30 | H36 | 180.0° | 60.0° |
| C29 | C31 | C33 | O34 | 43.9° | 60.0° |
| C29 | C31 | C33 | O32 | 121.9° | 120.0° |
| C29 | C31 | C33 | H16 | 121.2° | 120.0° |
| C29 | C31 | C33 | C35 | 160.2° | 180.0° |
| C29 | C31 | O32 | H16 | 121.8° | 120.0° |
| C31 | C29 | C28 | H13 | 62.1° | 60.0° |
| C31 | C29 | C28 | H14 | 54.7° | 60.0° |
| C29 | C31 | C33 | H17 | 76.3° | 60.0° |
| C31 | C29 | O30 | H36 | 66.6° | 60.0° |
| C29 | C31 | O32 | H37 | 180.0° | 59.9° |
| O34 | C33 | C31 | C35 | 116.3° | 120.0° |
| O34 | C33 | C31 | H17 | 120.3° | 120.0° |
| O34 | C33 | C35 | H17 | 121.5° | 120.0° |
| O34 | C33 | C31 | O32 | 165.8° | 180.0° |
| O34 | C33 | C35 | O36 | 62.6° | 65.0° |
| O34 | C33 | C31 | H16 | 77.3° | 60.0° |
| O34 | C33 | C35 | H18 | 178.3° | 175.0° |
| O34 | C33 | C35 | H19 | 56.4° | 55.0° |
| C22 | C23 | C24 | C25 | 0.9° | 0.0° |
| C22 | C23 | C24 | H6 | 180.0° | 179.9° |
| C22 | C23 | C24 | C27 | 180.0° | 179.9° |
| C31 | C33 | C35 | H17 | 123.3° | 120.0° |
| C33 | C31 | O32 | H16 | 116.0° | 120.0° |
| C31 | C33 | C35 | O36 | 177.8° | 175.0° |
| C33 | C31 | C29 | H15 | 46.5° | 60.0° |
| C31 | C33 | C35 | H18 | 63.2° | 55.0° |
| C31 | C33 | C35 | H19 | 58.7° | 65.0° |
| C33 | C31 | O32 | H37 | 57.8° | 60.0° |
| C31 | C33 | O34 | H38 | 180.0° | 60.0° |
| C35 | C33 | C31 | O32 | 77.9° | 60.0° |
| C33 | C35 | O36 | H18 | 119.0° | 120.0° |
| C33 | C35 | O36 | H19 | 119.1° | 120.0° |
| C33 | C35 | O36 | P37 | 179.7° | 180.0° |
| C35 | C33 | C31 | H16 | 39.0° | 60.0° |
| C33 | C35 | H18 | H19 | 122.8° | 119.9° |
| C35 | C33 | O34 | H38 | 61.7° | 60.0° |
| C26 | C25 | C24 | C23 | 179.1° | 179.7° |
| C26 | C25 | C24 | C27 | 0.0° | 0.4° |
| C26 | C25 | C01 | H1 | 2.1° | 0.0° |
| C25 | C26 | H7 | H8 | 120.0° | 120.0° |
| C25 | C26 | H7 | H9 | 120.0° | 120.0° |
| C25 | C26 | H8 | H9 | 120.0° | 120.0° |
| C25 | C24 | C23 | C27 | 179.1° | 180.0° |
| C24 | C25 | C01 | H1 | 177.6° | 179.7° |
| C25 | C24 | C23 | H6 | 179.1° | 180.0° |
| C24 | C25 | C26 | H7 | 89.8° | 90.3° |
| C24 | C25 | C26 | H8 | 30.1° | 29.7° |
| C24 | C25 | C26 | H9 | 150.1° | 149.7° |
| C25 | C24 | C27 | H10 | 89.5° | 90.0° |
| C25 | C24 | C27 | H11 | 150.4° | 30.0° |
| C25 | C24 | C27 | H12 | 30.4° | 150.0° |
| O32 | C31 | C29 | H15 | 69.5° | 60.0° |
| O32 | C31 | C33 | H17 | 45.6° | 60.0° |
| C35 | O36 | P37 | O38 | 175.2° | 55.0° |
| C35 | O36 | P37 | O40 | 69.7° | 175.0° |
| C35 | O36 | P37 | O39 | 39.9° | 65.1° |
| O36 | C35 | C33 | H17 | 58.9° | 55.0° |
| O36 | C35 | H18 | H19 | 122.8° | 120.0° |
| O36 | P37 | O38 | O40 | 108.5° | 120.0° |
| O36 | P37 | O38 | O39 | 127.8° | 120.0° |
| O36 | P37 | O40 | O39 | 113.7° | 120.0° |
| O36 | P37 | O40 | P41 | 90.1° | 165.0° |
| P37 | O36 | C35 | H18 | 61.2° | 60.0° |
| P37 | O36 | C35 | H19 | 60.7° | 60.1° |
| O36 | P37 | O39 | H39 | 126.4° | 59.9° |
| C23 | C24 | C27 | H10 | 89.5° | 90.1° |
| C23 | C24 | C27 | H11 | 30.5° | 150.0° |
| C23 | C24 | C27 | H12 | 150.5° | 30.0° |
| O38 | P37 | O40 | O39 | 134.1° | 120.0° |
| O38 | P37 | O40 | P41 | 22.1° | 45.0° |
| O38 | P37 | O39 | H39 | 0.0° | 180.0° |
| C27 | C24 | C23 | H6 | 0.0° | 0.0° |
| C24 | C27 | H10 | H11 | 120.0° | 119.9° |
| C24 | C27 | H10 | H12 | 120.0° | 120.0° |
| C24 | C27 | H11 | H12 | 120.0° | 120.0° |
| O43 | P41 | O40 | P37 | 46.7° | 45.0° |
| O43 | P41 | O44 | O40 | 116.1° | 120.0° |
| O43 | P41 | O44 | O42 | 130.3° | 120.0° |
| O43 | P41 | O40 | O42 | 131.0° | 120.0° |
| O43 | P41 | O44 | C45 | 171.9° | 55.0° |
| O43 | P41 | O42 | H40 | 0.0° | 180.0° |
| P37 | O40 | P41 | O44 | 66.3° | 165.0° |
| P37 | O40 | P41 | O42 | 177.7° | 75.0° |
| O40 | P37 | O39 | H39 | 126.4° | 60.1° |
| O39 | P37 | O40 | P41 | 156.2° | 75.0° |
| O44 | P41 | O40 | O42 | 116.0° | 120.0° |
| P41 | O44 | C45 | C46 | 138.8° | 180.0° |
| P41 | O44 | C45 | H20 | 102.3° | 60.0° |
| P41 | O44 | C45 | H21 | 20.1° | 60.0° |
| O44 | P41 | O42 | H40 | 122.6° | 60.0° |
| O40 | P41 | O44 | C45 | 72.0° | 175.0° |
| O40 | P41 | O42 | H40 | 125.5° | 60.0° |
| O42 | P41 | O44 | C45 | 41.6° | 65.0° |
| O44 | C45 | C46 | H20 | 118.8° | 120.0° |
| O44 | C45 | C46 | H21 | 118.8° | 120.0° |
| O44 | C45 | C46 | C61 | 68.3° | 175.0° |
| O44 | C45 | C46 | O47 | 175.0° | 69.6° |
| O44 | C45 | H20 | H21 | 123.5° | 120.0° |
| O44 | C45 | C46 | H22 | 55.6° | 52.8° |
| O62 | C61 | C46 | C45 | 122.3° | 98.5° |
| O62 | C61 | C46 | C59 | 122.3° | 118.6° |
| O62 | C61 | C46 | H27 | 122.8° | 122.7° |
| O62 | C61 | C46 | O47 | 121.6° | 142.7° |
| O62 | C61 | C59 | H27 | 122.7° | 122.7° |
| O62 | C61 | C59 | C48 | 96.3° | 118.7° |
| O62 | C61 | C59 | O60 | 28.9° | 0.0° |
| O62 | C61 | C46 | H22 | 2.0° | 23.7° |
| O62 | C61 | C59 | H26 | 151.4° | 122.7° |
| C45 | C46 | C61 | O47 | 116.1° | 118.8° |
| C45 | C46 | C61 | H22 | 124.3° | 122.2° |
| C45 | C46 | O47 | H22 | 118.9° | 122.3° |
| C45 | C46 | C61 | C59 | 115.4° | 142.8° |
| C45 | C46 | O47 | C48 | 149.8° | 159.3° |
| C46 | C45 | H20 | H21 | 123.5° | 120.0° |
| C45 | C46 | C61 | H27 | 0.5° | 24.2° |
| C61 | C46 | O47 | H22 | 118.6° | 118.9° |
| C46 | C61 | C59 | H27 | 114.8° | 118.7° |
| C61 | C46 | O47 | C48 | 27.3° | 40.5° |
| C46 | C61 | C59 | C48 | 26.2° | 0.0° |
| C46 | C61 | C59 | O60 | 151.4° | 118.6° |
| C61 | C46 | C45 | H20 | 172.8° | 55.0° |
| C61 | C46 | C45 | H21 | 50.5° | 65.0° |
| C46 | C61 | C59 | H26 | 86.1° | 118.7° |
| C46 | C61 | O62 | H42 | 180.0° | 180.0° |
| O47 | C46 | C61 | C59 | 0.7° | 24.0° |
| C46 | O47 | C48 | C59 | 44.9° | 40.5° |
| C46 | O47 | C48 | N49 | 164.7° | 159.4° |
| O47 | C46 | C45 | H20 | 56.2° | 170.4° |
| O47 | C46 | C45 | H21 | 66.2° | 50.4° |
| C46 | O47 | C48 | H23 | 72.6° | 78.3° |
| O47 | C46 | C61 | H27 | 115.6° | 94.6° |
| C61 | C59 | C48 | O47 | 43.5° | 24.0° |
| C61 | C59 | C48 | O60 | 127.2° | 118.7° |
| C61 | C59 | C48 | H26 | 112.1° | 118.7° |
| C61 | C59 | O60 | H26 | 121.6° | 122.8° |
| C61 | C59 | C48 | N49 | 161.0° | 142.8° |
| C59 | C61 | C46 | H22 | 120.3° | 95.0° |
| C61 | C59 | C48 | H23 | 74.8° | 95.0° |
| C61 | C59 | O60 | H41 | 180.0° | 65.4° |
| C59 | C61 | O62 | H42 | 63.5° | 65.3° |
| O47 | C48 | C59 | N49 | 117.5° | 118.8° |
| O47 | C48 | C59 | H23 | 118.3° | 119.0° |
| O47 | C48 | C59 | O60 | 170.7° | 142.6° |
| O47 | C48 | N49 | H23 | 122.9° | 122.4° |
| O47 | C48 | N49 | C53 | 120.5° | 158.1° |
| O47 | C48 | N49 | C50 | 62.3° | 22.0° |
| C48 | O47 | C46 | H22 | 91.3° | 78.3° |
| O47 | C48 | C59 | H26 | 68.6° | 94.8° |
| C48 | C59 | O60 | H26 | 119.9° | 122.6° |
| C59 | C48 | N49 | H23 | 123.6° | 122.2° |
| C59 | C48 | N49 | C53 | 126.0° | 86.5° |
| C59 | C48 | N49 | C50 | 51.2° | 93.4° |
| C48 | C59 | C61 | H27 | 141.0° | 118.6° |
| C48 | C59 | O60 | H41 | 61.6° | 180.0° |
| O60 | C59 | C48 | N49 | 71.8° | 98.5° |
| O60 | C59 | C48 | H23 | 52.4° | 23.7° |
| O60 | C59 | C61 | H27 | 93.8° | 122.7° |
| C48 | N49 | C53 | N54 | 2.2° | 0.2° |
| C48 | N49 | C53 | C50 | 177.7° | 180.0° |
| C48 | N49 | C53 | C52 | 178.2° | 179.7° |
| C48 | N49 | C50 | N51 | 178.0° | 180.0° |
| C48 | N49 | C50 | H24 | 2.0° | 0.3° |
| N49 | C48 | C59 | H26 | 49.0° | 24.1° |
| C55 | N54 | C53 | N49 | 179.1° | 179.4° |
| N54 | C55 | N56 | H25 | 180.0° | 179.8° |
| C55 | N54 | C53 | C52 | 0.4° | 0.0° |
| N54 | C55 | N56 | C57 | 1.4° | 0.2° |
| N54 | C53 | N49 | C52 | 179.6° | 179.5° |
| N54 | C53 | N49 | C50 | 179.9° | 179.7° |
| C53 | N54 | C55 | N56 | 1.4° | 0.3° |
| N54 | C53 | C52 | N51 | 180.0° | 179.9° |
| N54 | C53 | C52 | C57 | 0.5° | 0.3° |
| C53 | N54 | C55 | H25 | 178.6° | 179.9° |
| C53 | N49 | C50 | N51 | 0.4° | 0.0° |
| N49 | C53 | C52 | N51 | 0.4° | 0.4° |
| N49 | C53 | C52 | C57 | 179.9° | 179.9° |
| C53 | N49 | C48 | H23 | 2.4° | 35.7° |
| C53 | N49 | C50 | H24 | 179.6° | 179.8° |
| C50 | N49 | C53 | C52 | 0.5° | 0.2° |
| N49 | C50 | N51 | H24 | 180.0° | 179.8° |
| N49 | C50 | N51 | C52 | 0.2° | 0.2° |
| C50 | N49 | C48 | H23 | 174.8° | 144.4° |
| C55 | N56 | C57 | C52 | 0.3° | 0.2° |
| C55 | N56 | C57 | N58 | 179.1° | 179.8° |
| C53 | C52 | N51 | C50 | 0.1° | 0.4° |
| C53 | C52 | C57 | N56 | 0.6° | 0.4° |
| C53 | C52 | N51 | C57 | 179.3° | 179.6° |
| C53 | C52 | C57 | N58 | 178.2° | 179.6° |
| C50 | N51 | C52 | C57 | 179.5° | 180.0° |
| N56 | C57 | C52 | N51 | 179.9° | 180.0° |
| N56 | C57 | C52 | N58 | 178.7° | 180.0° |
| C57 | N56 | C55 | H25 | 178.6° | 180.0° |
| N56 | C57 | N58 | H34 | 0.0° | 179.9° |
| N56 | C57 | N58 | H35 | 120.0° | 0.0° |
| N51 | C52 | C57 | N58 | 1.2° | 0.1° |
| C52 | N51 | C50 | H24 | 179.8° | 180.0° |
| C52 | C57 | N58 | H34 | 178.7° | 0.0° |
| C52 | C57 | N58 | H35 | 61.3° | 180.0° |
| C57 | N58 | H34 | H35 | 120.0° | 179.9° |
| H2 | C06 | C07 | H3 | 173.2° | 180.0° |
| H3 | C07 | C08 | H4 | 104.7° | 65.0° |
| H3 | C07 | C08 | H5 | 133.8° | 175.0° |
| H4 | C08 | N09 | H28 | 117.3° | 119.9° |
| H5 | C08 | N09 | H28 | 121.4° | 120.1° |
| H7 | C26 | H8 | H9 | 120.0° | 120.0° |
| H10 | C27 | H11 | H12 | 120.0° | 120.1° |
| H13 | C28 | C29 | H15 | 59.1° | 180.0° |
| H14 | C28 | C29 | H15 | 175.9° | 60.0° |
| H15 | C29 | C31 | H16 | 167.8° | 180.0° |
| H15 | C29 | O30 | H36 | 58.7° | 180.0° |
| H16 | C31 | C33 | H17 | 162.5° | 180.0° |
| H16 | C31 | O32 | H37 | 58.1° | 179.9° |
| H17 | C33 | C35 | H18 | 60.1° | 65.0° |
| H17 | C33 | C35 | H19 | 178.0° | 175.0° |
| H17 | C33 | O34 | H38 | 59.9° | 180.0° |
| H20 | C45 | C46 | H22 | 63.2° | 67.2° |
| H21 | C45 | C46 | H22 | 174.4° | 172.8° |
| H22 | C46 | C61 | H27 | 124.8° | 146.4° |
| H23 | C48 | C59 | H26 | 173.1° | 146.2° |
| H26 | C59 | C61 | H27 | 28.7° | 0.0° |
| H26 | C59 | O60 | H41 | 58.4° | 57.4° |
| H27 | C61 | O62 | H42 | 58.2° | 57.3° |
