A1EL1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O24 | C23 | doub | 1.21Å | 1.33Å | |
| C23 | O25 | sing | 1.34Å | 1.23Å | |
| C23 | C22 | sing | 1.51Å | 1.50Å | |
| C22 | N26 | sing | 1.47Å | 1.48Å | |
| C22 | C21 | sing | 1.53Å | 1.54Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C20 | C19 | sing | 1.53Å | 1.54Å | |
| C32 | C31 | sing | 1.53Å | 1.52Å | |
| C32 | O38 | sing | 1.44Å | 1.43Å | |
| C32 | C33 | sing | 1.54Å | 1.52Å | |
| C31 | O30 | sing | 1.43Å | 1.43Å | |
| O36 | C35 | sing | 1.43Å | 1.43Å | |
| O38 | C37 | sing | 1.44Å | 1.43Å | |
| O34 | C33 | sing | 1.43Å | 1.43Å | |
| O29 | P27 | doub | 1.48Å | 1.59Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | C16 | sing | 1.53Å | 1.53Å | |
| C19 | N49 | sing | 1.47Å | 1.48Å | |
| C33 | C35 | sing | 1.55Å | 1.51Å | |
| C37 | C35 | sing | 1.55Å | 1.51Å | |
| C37 | N39 | sing | 1.47Å | 1.48Å | |
| O30 | P27 | sing | 1.61Å | 1.61Å | |
| P27 | O15 | sing | 1.61Å | 1.61Å | |
| P27 | O28 | sing | 1.61Å | 1.48Å | |
| C16 | C14 | sing | 1.55Å | 1.51Å | |
| C16 | O17 | sing | 1.44Å | 1.43Å | |
| O15 | C14 | sing | 1.43Å | 1.42Å | |
| N39 | C40 | sing | 1.36Å | 1.35Å | Aromatic |
| N39 | C43 | sing | 1.37Å | 1.33Å | Aromatic |
| C40 | N41 | doub | 1.30Å | 1.36Å | Aromatic |
| C14 | C12 | sing | 1.54Å | 1.51Å | |
| O17 | C11 | sing | 1.44Å | 1.42Å | |
| C43 | N44 | doub | 1.33Å | 1.35Å | Aromatic |
| C43 | C42 | sing | 1.40Å | 1.47Å | Aromatic |
| N44 | C45 | sing | 1.32Å | 1.34Å | Aromatic |
| N41 | C42 | sing | 1.35Å | 1.34Å | Aromatic |
| C12 | O13 | sing | 1.43Å | 1.43Å | |
| C12 | C11 | sing | 1.54Å | 1.52Å | |
| C11 | N10 | sing | 1.47Å | 1.48Å | |
| C9 | N10 | sing | 1.36Å | 1.35Å | Aromatic |
| C9 | N8 | doub | 1.30Å | 1.36Å | Aromatic |
| C42 | C47 | doub | 1.41Å | 1.48Å | Aromatic |
| N10 | C6 | sing | 1.37Å | 1.33Å | Aromatic |
| C45 | N46 | doub | 1.32Å | 1.34Å | Aromatic |
| N8 | C7 | sing | 1.35Å | 1.35Å | Aromatic |
| C47 | N46 | sing | 1.33Å | 1.35Å | Aromatic |
| C47 | N48 | sing | 1.38Å | 1.36Å | |
| C6 | C7 | doub | 1.41Å | 1.46Å | Aromatic |
| C6 | N5 | sing | 1.33Å | 1.35Å | Aromatic |
| C7 | C2 | sing | 1.41Å | 1.46Å | Aromatic |
| N5 | C4 | doub | 1.32Å | 1.34Å | Aromatic |
| C2 | N1 | sing | 1.38Å | 1.35Å | |
| C2 | N3 | doub | 1.33Å | 1.35Å | Aromatic |
| C4 | N3 | sing | 1.32Å | 1.35Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C14 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C18 | H6 | sing | 1.09Å | 1.10Å | |
| C18 | H7 | sing | 1.09Å | 1.10Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C31 | H14 | sing | 1.09Å | 1.10Å | |
| C31 | H15 | sing | 1.09Å | 1.10Å | |
| C32 | H16 | sing | 1.09Å | 1.10Å | |
| C33 | H17 | sing | 1.09Å | 1.10Å | |
| C35 | H18 | sing | 1.09Å | 1.10Å | |
| C37 | H19 | sing | 1.09Å | 1.10Å | |
| C40 | H20 | sing | 1.08Å | 1.08Å | |
| C45 | H21 | sing | 1.08Å | 1.08Å | |
| C9 | H22 | sing | 1.08Å | 1.08Å | |
| N1 | H23 | sing | 0.97Å | 1.00Å | |
| N1 | H24 | sing | 0.97Å | 1.00Å | |
| N26 | H25 | sing | 1.01Å | 1.00Å | |
| N26 | H26 | sing | 1.01Å | 1.00Å | |
| N48 | H28 | sing | 0.97Å | 1.00Å | |
| N48 | H29 | sing | 0.97Å | 1.00Å | |
| N49 | H30 | sing | 1.01Å | 1.00Å | |
| N49 | H31 | sing | 1.01Å | 1.00Å | |
| O13 | H33 | sing | 0.97Å | 0.95Å | |
| O25 | H34 | sing | 0.97Å | 0.95Å | |
| O28 | H35 | sing | 0.97Å | 0.95Å | |
| O34 | H36 | sing | 0.97Å | 0.95Å | |
| O36 | H37 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O24 | C23 | O25 | 119.8° | 120.0° |
| O24 | C23 | C22 | 119.1° | 120.0° |
| O25 | C23 | C22 | 121.1° | 119.9° |
| C23 | O25 | H34 | 109.5° | 117.0° |
| C23 | C22 | N26 | 108.4° | 109.4° |
| C23 | C22 | C21 | 112.3° | 109.5° |
| C23 | C22 | H13 | 107.8° | 109.5° |
| N26 | C22 | C21 | 112.6° | 109.5° |
| N26 | C22 | H13 | 108.1° | 109.5° |
| C22 | N26 | H25 | 109.5° | 111.1° |
| C22 | N26 | H26 | 109.5° | 111.0° |
| C22 | C21 | C20 | 114.2° | 109.4° |
| C22 | C21 | H11 | 108.3° | 109.5° |
| C22 | C21 | H12 | 108.3° | 109.4° |
| C21 | C22 | H13 | 107.4° | 109.5° |
| C21 | C20 | C19 | 112.5° | 109.4° |
| C21 | C20 | H9 | 108.7° | 109.5° |
| C21 | C20 | H10 | 108.7° | 109.5° |
| C20 | C21 | H11 | 108.3° | 109.5° |
| C20 | C21 | H12 | 108.3° | 109.4° |
| C20 | C19 | C18 | 110.9° | 109.5° |
| C20 | C19 | N49 | 110.1° | 109.5° |
| C20 | C19 | H8 | 108.1° | 109.4° |
| C19 | C20 | H9 | 108.7° | 109.4° |
| C19 | C20 | H10 | 108.7° | 109.4° |
| C31 | C32 | O38 | 108.9° | 109.9° |
| C31 | C32 | C33 | 113.3° | 109.9° |
| C32 | C31 | O30 | 108.1° | 109.5° |
| C32 | C31 | H14 | 109.8° | 109.5° |
| C32 | C31 | H15 | 109.8° | 109.5° |
| C31 | C32 | H16 | 109.4° | 109.9° |
| O38 | C32 | C33 | 105.1° | 107.3° |
| C32 | O38 | C37 | 110.4° | 106.9° |
| O38 | C32 | H16 | 110.7° | 109.9° |
| C32 | C33 | O34 | 112.6° | 110.5° |
| C32 | C33 | C35 | 103.2° | 104.2° |
| C33 | C32 | H16 | 109.4° | 110.0° |
| C32 | C33 | H17 | 109.4° | 110.5° |
| C31 | O30 | P27 | 119.8° | 123.0° |
| O30 | C31 | H14 | 109.8° | 109.4° |
| O30 | C31 | H15 | 109.8° | 109.5° |
| O36 | C35 | C33 | 110.1° | 110.9° |
| O36 | C35 | C37 | 108.3° | 111.0° |
| O36 | C35 | H18 | 112.7° | 110.7° |
| C35 | O36 | H37 | 109.5° | 114.0° |
| O38 | C37 | C35 | 106.9° | 103.5° |
| O38 | C37 | N39 | 107.8° | 110.6° |
| O38 | C37 | H19 | 111.0° | 110.6° |
| O34 | C33 | C35 | 111.2° | 110.5° |
| O34 | C33 | H17 | 110.7° | 110.5° |
| C33 | O34 | H36 | 109.5° | 114.0° |
| O29 | P27 | O30 | 108.9° | 109.5° |
| O29 | P27 | O15 | 110.5° | 109.4° |
| O29 | P27 | O28 | 114.4° | 109.5° |
| C19 | C18 | C16 | 115.1° | 109.5° |
| C18 | C19 | N49 | 110.6° | 109.5° |
| C19 | C18 | H6 | 108.0° | 109.5° |
| C19 | C18 | H7 | 108.0° | 109.4° |
| C18 | C19 | H8 | 108.2° | 109.4° |
| C18 | C16 | C14 | 114.7° | 110.4° |
| C18 | C16 | O17 | 112.9° | 110.4° |
| C18 | C16 | H5 | 108.3° | 110.3° |
| C16 | C18 | H6 | 108.0° | 109.5° |
| C16 | C18 | H7 | 108.1° | 109.5° |
| N49 | C19 | H8 | 108.8° | 109.5° |
| C19 | N49 | H30 | 109.5° | 111.0° |
| C19 | N49 | H31 | 109.5° | 111.0° |
| C33 | C35 | C37 | 102.2° | 102.1° |
| C35 | C33 | H17 | 109.5° | 110.5° |
| C33 | C35 | H18 | 111.4° | 110.9° |
| C35 | C37 | N39 | 111.1° | 110.7° |
| C37 | C35 | H18 | 111.5° | 110.9° |
| C35 | C37 | H19 | 109.8° | 110.6° |
| C37 | N39 | C40 | 124.7° | 126.3° |
| C37 | N39 | C43 | 126.0° | 126.3° |
| N39 | C37 | H19 | 110.2° | 110.6° |
| O30 | P27 | O15 | 104.5° | 109.5° |
| O30 | P27 | O28 | 107.7° | 109.5° |
| O15 | P27 | O28 | 110.4° | 109.5° |
| P27 | O15 | C14 | 117.3° | 123.0° |
| P27 | O28 | H35 | 109.5° | 114.0° |
| C14 | C16 | O17 | 102.6° | 104.8° |
| C16 | C14 | O15 | 111.6° | 110.5° |
| C16 | C14 | C12 | 102.2° | 104.1° |
| C16 | C14 | H4 | 109.1° | 110.5° |
| C14 | C16 | H5 | 108.6° | 110.4° |
| C16 | O17 | C11 | 109.1° | 105.3° |
| O17 | C16 | H5 | 109.6° | 110.5° |
| O15 | C14 | C12 | 114.2° | 110.5° |
| O15 | C14 | H4 | 110.3° | 110.5° |
| C40 | N39 | C43 | 109.3° | 107.4° |
| N39 | C40 | N41 | 110.4° | 110.0° |
| N39 | C40 | H20 | 124.8° | 125.0° |
| N39 | C43 | N44 | 135.0° | 134.9° |
| N39 | C43 | C42 | 105.8° | 106.0° |
| C40 | N41 | C42 | 107.7° | 109.4° |
| N41 | C40 | H20 | 124.8° | 125.0° |
| C14 | C12 | O13 | 110.6° | 110.5° |
| C14 | C12 | C11 | 101.5° | 104.0° |
| C14 | C12 | H3 | 111.7° | 110.5° |
| C12 | C14 | H4 | 109.1° | 110.5° |
| O17 | C11 | C12 | 107.3° | 104.8° |
| O17 | C11 | N10 | 109.6° | 110.4° |
| O17 | C11 | H2 | 111.2° | 110.3° |
| N44 | C43 | C42 | 119.2° | 119.1° |
| C43 | N44 | C45 | 120.1° | 120.6° |
| C43 | C42 | N41 | 106.8° | 107.2° |
| C43 | C42 | C47 | 117.4° | 118.2° |
| N44 | C45 | N46 | 124.1° | 122.5° |
| N44 | C45 | H21 | 118.0° | 118.8° |
| N41 | C42 | C47 | 135.8° | 134.7° |
| O13 | C12 | C11 | 108.0° | 110.5° |
| O13 | C12 | H3 | 112.9° | 110.5° |
| C12 | O13 | H33 | 109.5° | 114.0° |
| C12 | C11 | N10 | 108.4° | 110.4° |
| C12 | C11 | H2 | 109.8° | 110.4° |
| C11 | C12 | H3 | 111.5° | 110.6° |
| C11 | N10 | C9 | 126.4° | 126.3° |
| C11 | N10 | C6 | 124.6° | 126.3° |
| N10 | C11 | H2 | 110.4° | 110.4° |
| N10 | C9 | N8 | 110.8° | 109.9° |
| C9 | N10 | C6 | 109.0° | 107.5° |
| N10 | C9 | H22 | 124.6° | 125.0° |
| C9 | N8 | C7 | 106.9° | 109.5° |
| N8 | C9 | H22 | 124.6° | 125.1° |
| C42 | C47 | N46 | 117.3° | 118.4° |
| C42 | C47 | N48 | 121.0° | 120.8° |
| N10 | C6 | C7 | 106.0° | 106.0° |
| N10 | C6 | N5 | 134.1° | 135.0° |
| C45 | N46 | C47 | 121.8° | 121.2° |
| N46 | C45 | H21 | 117.9° | 118.8° |
| N8 | C7 | C6 | 107.3° | 107.1° |
| N8 | C7 | C2 | 135.9° | 134.7° |
| N46 | C47 | N48 | 121.7° | 120.8° |
| C47 | N48 | H28 | 109.5° | 120.0° |
| C47 | N48 | H29 | 109.5° | 120.0° |
| C7 | C6 | N5 | 120.0° | 119.0° |
| C6 | C7 | C2 | 116.8° | 118.2° |
| C6 | N5 | C4 | 119.8° | 120.7° |
| C7 | C2 | N1 | 120.5° | 120.8° |
| C7 | C2 | N3 | 118.3° | 118.4° |
| N5 | C4 | N3 | 123.8° | 122.5° |
| N5 | C4 | H1 | 118.1° | 118.8° |
| N1 | C2 | N3 | 121.1° | 120.8° |
| C2 | N1 | H23 | 109.5° | 120.0° |
| C2 | N1 | H24 | 109.5° | 119.9° |
| C2 | N3 | C4 | 121.4° | 121.2° |
| N3 | C4 | H1 | 118.1° | 118.8° |
| H6 | C18 | H7 | 109.5° | 109.4° |
| H9 | C20 | H10 | 109.5° | 109.5° |
| H11 | C21 | H12 | 109.5° | 109.5° |
| H14 | C31 | H15 | 109.5° | 109.5° |
| H23 | N1 | H24 | 109.5° | 120.0° |
| H25 | N26 | H26 | 109.5° | 111.0° |
| H28 | N48 | H29 | 109.5° | 119.9° |
| H30 | N49 | H31 | 109.5° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O24 | C23 | O25 | C22 | 178.6° | 180.0° |
| O24 | C23 | C22 | N26 | 169.4° | 20.0° |
| O24 | C23 | C22 | C21 | 65.5° | 100.0° |
| O24 | C23 | C22 | H13 | 52.5° | 140.0° |
| O24 | C23 | O25 | H34 | 0.0° | 0.1° |
| O25 | C23 | C22 | N26 | 9.2° | 160.0° |
| O25 | C23 | C22 | C21 | 115.9° | 80.1° |
| O25 | C23 | C22 | H13 | 126.1° | 40.0° |
| C23 | C22 | N26 | C21 | 124.9° | 120.0° |
| C23 | C22 | N26 | H13 | 116.6° | 120.0° |
| C23 | C22 | C21 | H13 | 118.3° | 120.1° |
| C23 | C22 | C21 | C20 | 51.7° | 175.0° |
| C23 | C22 | C21 | H11 | 69.0° | 64.9° |
| C23 | C22 | C21 | H12 | 172.4° | 55.1° |
| C23 | C22 | N26 | H25 | 180.0° | 64.0° |
| C23 | C22 | N26 | H26 | 60.0° | 60.0° |
| C22 | C23 | O25 | H34 | 178.6° | 179.9° |
| N26 | C22 | C21 | H13 | 118.9° | 120.0° |
| N26 | C22 | C21 | C20 | 71.0° | 65.1° |
| N26 | C22 | C21 | H11 | 168.3° | 55.0° |
| N26 | C22 | C21 | H12 | 49.7° | 175.0° |
| C22 | N26 | H25 | H26 | 120.0° | 124.0° |
| C22 | C21 | C20 | H11 | 120.7° | 120.0° |
| C22 | C21 | C20 | H12 | 120.7° | 119.9° |
| C22 | C21 | C20 | C19 | 167.9° | 180.0° |
| C22 | C21 | C20 | H9 | 47.4° | 60.0° |
| C22 | C21 | C20 | H10 | 71.6° | 60.1° |
| C22 | C21 | H11 | H12 | 117.9° | 120.0° |
| C21 | C22 | N26 | H25 | 55.1° | 176.1° |
| C21 | C22 | N26 | H26 | 175.1° | 59.9° |
| C21 | C20 | C19 | H9 | 120.4° | 120.0° |
| C21 | C20 | C19 | H10 | 120.5° | 120.0° |
| C21 | C20 | C19 | C18 | 46.7° | 175.0° |
| C21 | C20 | C19 | N49 | 76.1° | 65.0° |
| C21 | C20 | C19 | H8 | 165.2° | 55.1° |
| C21 | C20 | H9 | H10 | 118.6° | 120.1° |
| C20 | C21 | H11 | H12 | 117.9° | 120.0° |
| C20 | C21 | C22 | H13 | 170.1° | 54.9° |
| C20 | C19 | C18 | N49 | 122.5° | 120.0° |
| C20 | C19 | C18 | H8 | 118.4° | 119.9° |
| C20 | C19 | C18 | C16 | 167.1° | 175.0° |
| C20 | C19 | N49 | H8 | 118.3° | 120.0° |
| C20 | C19 | C18 | H6 | 46.2° | 54.9° |
| C20 | C19 | C18 | H7 | 72.1° | 65.0° |
| C19 | C20 | H9 | H10 | 118.6° | 119.9° |
| C19 | C20 | C21 | H11 | 71.4° | 60.0° |
| C19 | C20 | C21 | H12 | 47.2° | 60.1° |
| C20 | C19 | N49 | H30 | 180.0° | 59.9° |
| C20 | C19 | N49 | H31 | 60.0° | 63.9° |
| C31 | C32 | O38 | C33 | 121.7° | 119.4° |
| C31 | C32 | O38 | H16 | 120.3° | 121.0° |
| C31 | C32 | C33 | H16 | 122.4° | 121.1° |
| C32 | C31 | O30 | H14 | 119.8° | 119.9° |
| C32 | C31 | O30 | H15 | 119.8° | 120.0° |
| C31 | C32 | O38 | C37 | 134.2° | 145.9° |
| C31 | C32 | C33 | O34 | 91.7° | 119.8° |
| C31 | C32 | C33 | C35 | 148.3° | 121.5° |
| C32 | C31 | O30 | P27 | 161.2° | 180.0° |
| C32 | C31 | H14 | H15 | 120.7° | 120.0° |
| C31 | C32 | C33 | H17 | 31.8° | 2.7° |
| O38 | C32 | C33 | H16 | 118.9° | 119.5° |
| O38 | C32 | C31 | O30 | 79.2° | 66.4° |
| O38 | C32 | C33 | O34 | 149.6° | 120.8° |
| O38 | C32 | C33 | C35 | 29.6° | 2.1° |
| C32 | O38 | C37 | C35 | 9.8° | 40.1° |
| C32 | O38 | C37 | N39 | 109.7° | 158.6° |
| O38 | C32 | C31 | H14 | 40.6° | 53.5° |
| O38 | C32 | C31 | H15 | 161.0° | 173.5° |
| O38 | C32 | C33 | H17 | 86.9° | 116.7° |
| C32 | O38 | C37 | H19 | 129.5° | 78.5° |
| C33 | C32 | C31 | O30 | 37.3° | 175.8° |
| C32 | C33 | C35 | O36 | 80.4° | 139.1° |
| C33 | C32 | O38 | C37 | 12.5° | 26.5° |
| C32 | C33 | O34 | C35 | 115.2° | 114.8° |
| C32 | C33 | O34 | H17 | 122.8° | 122.6° |
| C32 | C33 | C35 | H17 | 116.4° | 118.7° |
| C32 | C33 | C35 | C37 | 34.5° | 20.8° |
| C33 | C32 | C31 | H14 | 157.1° | 64.3° |
| C33 | C32 | C31 | H15 | 82.4° | 55.7° |
| C32 | C33 | C35 | H18 | 153.7° | 97.4° |
| C32 | C33 | O34 | H36 | 180.0° | 180.0° |
| C31 | O30 | P27 | O29 | 26.4° | 55.0° |
| C31 | O30 | P27 | O15 | 91.7° | 174.9° |
| C31 | O30 | P27 | O28 | 151.0° | 65.0° |
| O30 | C31 | H14 | H15 | 120.6° | 120.0° |
| O30 | C31 | C32 | H16 | 159.7° | 54.6° |
| O36 | C35 | C37 | O38 | 88.3° | 155.3° |
| O36 | C35 | C33 | O34 | 40.5° | 20.5° |
| O36 | C35 | C33 | C37 | 115.0° | 118.3° |
| O36 | C35 | C33 | H18 | 125.9° | 123.5° |
| O36 | C35 | C37 | H18 | 124.6° | 123.5° |
| O36 | C35 | C37 | N39 | 154.3° | 86.3° |
| O36 | C35 | C33 | H17 | 163.2° | 102.2° |
| O36 | C35 | C37 | H19 | 32.1° | 36.7° |
| O38 | C37 | C35 | C33 | 27.9° | 37.0° |
| O38 | C37 | C35 | N39 | 117.4° | 118.5° |
| O38 | C37 | C35 | H19 | 120.4° | 118.5° |
| O38 | C37 | N39 | H19 | 121.2° | 123.0° |
| O38 | C37 | N39 | C40 | 1.7° | 23.6° |
| O38 | C37 | N39 | C43 | 176.1° | 156.8° |
| C37 | O38 | C32 | H16 | 105.5° | 93.1° |
| O38 | C37 | C35 | H18 | 147.1° | 81.2° |
| O34 | C33 | C35 | H17 | 122.7° | 122.6° |
| O34 | C33 | C35 | C37 | 155.4° | 97.8° |
| O34 | C33 | C32 | H16 | 30.7° | 1.3° |
| O34 | C33 | C35 | H18 | 85.4° | 144.0° |
| O29 | P27 | O30 | O15 | 118.0° | 120.0° |
| O29 | P27 | O30 | O28 | 124.6° | 120.0° |
| O29 | P27 | O15 | O28 | 127.5° | 120.0° |
| O29 | P27 | O15 | C14 | 69.2° | 55.0° |
| O29 | P27 | O28 | H35 | 0.0° | 180.0° |
| C19 | C18 | C16 | H6 | 120.8° | 120.1° |
| C19 | C18 | C16 | H7 | 120.8° | 120.0° |
| C18 | C19 | N49 | H8 | 118.8° | 120.0° |
| C19 | C18 | C16 | C14 | 77.8° | 175.0° |
| C19 | C18 | C16 | O17 | 39.3° | 69.7° |
| C19 | C18 | C16 | H5 | 160.8° | 52.7° |
| C19 | C18 | H6 | H7 | 117.4° | 120.0° |
| C18 | C19 | C20 | H9 | 167.2° | 55.0° |
| C18 | C19 | C20 | H10 | 73.8° | 65.0° |
| C18 | C19 | N49 | H30 | 57.1° | 60.1° |
| C18 | C19 | N49 | H31 | 63.0° | 176.1° |
| C16 | C18 | C19 | N49 | 70.5° | 65.0° |
| C18 | C16 | C14 | O17 | 122.8° | 118.8° |
| C18 | C16 | C14 | H5 | 121.2° | 122.2° |
| C18 | C16 | O17 | H5 | 120.8° | 122.3° |
| C18 | C16 | C14 | O15 | 73.3° | 98.5° |
| C18 | C16 | C14 | C12 | 164.2° | 142.8° |
| C18 | C16 | O17 | C11 | 154.3° | 159.3° |
| C18 | C16 | C14 | H4 | 48.8° | 24.1° |
| C16 | C18 | H6 | H7 | 117.4° | 120.0° |
| C16 | C18 | C19 | H8 | 48.7° | 55.1° |
| N49 | C19 | C18 | H6 | 168.7° | 175.0° |
| N49 | C19 | C18 | H7 | 50.4° | 55.0° |
| N49 | C19 | C20 | H9 | 44.4° | 175.0° |
| N49 | C19 | C20 | H10 | 163.4° | 55.0° |
| C19 | N49 | H30 | H31 | 120.0° | 123.9° |
| C33 | C35 | C37 | H18 | 119.2° | 118.2° |
| C33 | C35 | C37 | N39 | 89.5° | 155.5° |
| C35 | C33 | C32 | H16 | 89.3° | 117.4° |
| C33 | C35 | C37 | H19 | 148.3° | 81.5° |
| C35 | C33 | O34 | H36 | 64.8° | 65.2° |
| C33 | C35 | O36 | H37 | 180.0° | 61.4° |
| C35 | C37 | N39 | H19 | 121.9° | 122.9° |
| C35 | C37 | N39 | C40 | 115.1° | 90.5° |
| C35 | C37 | N39 | C43 | 67.0° | 89.1° |
| C37 | C35 | C33 | H17 | 81.9° | 139.5° |
| C37 | C35 | O36 | H37 | 69.0° | 174.2° |
| C37 | N39 | C40 | C43 | 178.2° | 179.7° |
| C37 | N39 | C40 | N41 | 178.7° | 179.9° |
| C37 | N39 | C43 | N44 | 1.0° | 0.8° |
| C37 | N39 | C43 | C42 | 178.8° | 179.9° |
| N39 | C37 | C35 | H18 | 29.7° | 37.3° |
| C37 | N39 | C40 | H20 | 1.3° | 0.0° |
| O30 | P27 | O15 | O28 | 115.5° | 120.0° |
| O30 | P27 | O15 | C14 | 173.9° | 175.0° |
| P27 | O30 | C31 | H14 | 41.5° | 60.0° |
| P27 | O30 | C31 | H15 | 79.0° | 60.0° |
| O30 | P27 | O28 | H35 | 121.1° | 59.9° |
| P27 | O15 | C14 | C16 | 119.6° | 120.0° |
| P27 | O15 | C14 | C12 | 125.1° | 125.3° |
| P27 | O15 | C14 | H4 | 1.9° | 2.7° |
| O15 | P27 | O28 | H35 | 125.4° | 60.1° |
| O28 | P27 | O15 | C14 | 58.3° | 64.9° |
| C14 | C16 | O17 | H5 | 115.2° | 118.9° |
| C16 | C14 | O15 | C12 | 115.3° | 114.7° |
| C16 | C14 | O15 | H4 | 121.4° | 122.7° |
| C16 | C14 | C12 | H4 | 115.4° | 118.7° |
| C14 | C16 | O17 | C11 | 30.3° | 40.5° |
| C16 | C14 | C12 | O13 | 78.1° | 118.6° |
| C16 | C14 | C12 | C11 | 36.3° | 0.0° |
| C16 | C14 | C12 | H3 | 155.2° | 118.7° |
| C14 | C16 | C18 | H6 | 43.0° | 65.0° |
| C14 | C16 | C18 | H7 | 161.4° | 55.0° |
| O17 | C16 | C14 | O15 | 163.9° | 142.6° |
| O17 | C16 | C14 | C12 | 41.4° | 24.0° |
| C16 | O17 | C11 | C12 | 7.1° | 40.5° |
| C16 | O17 | C11 | N10 | 124.6° | 159.4° |
| C16 | O17 | C11 | H2 | 113.1° | 78.3° |
| O17 | C16 | C14 | H4 | 74.0° | 94.7° |
| O17 | C16 | C18 | H6 | 160.1° | 50.4° |
| O17 | C16 | C18 | H7 | 81.6° | 170.4° |
| O15 | C14 | C12 | H4 | 123.9° | 122.7° |
| O15 | C14 | C12 | O13 | 42.6° | 0.0° |
| O15 | C14 | C12 | C11 | 157.0° | 118.6° |
| O15 | C14 | C12 | H3 | 84.1° | 122.6° |
| O15 | C14 | C16 | H5 | 47.9° | 23.7° |
| N39 | C40 | N41 | H20 | 180.0° | 179.9° |
| C40 | N39 | C43 | N44 | 179.2° | 179.5° |
| C40 | N39 | C43 | C42 | 0.7° | 0.4° |
| N39 | C40 | N41 | C42 | 0.1° | 0.0° |
| C40 | N39 | C37 | H19 | 123.0° | 146.6° |
| C43 | N39 | C40 | N41 | 0.5° | 0.2° |
| N39 | C43 | N44 | C42 | 179.8° | 179.0° |
| N39 | C43 | N44 | C45 | 179.9° | 179.6° |
| N39 | C43 | C42 | N41 | 0.6° | 0.4° |
| N39 | C43 | C42 | C47 | 179.9° | 179.8° |
| C43 | N39 | C37 | H19 | 54.9° | 33.8° |
| C43 | N39 | C40 | H20 | 179.5° | 179.7° |
| C40 | N41 | C42 | C43 | 0.3° | 0.2° |
| C40 | N41 | C42 | C47 | 179.6° | 180.0° |
| C14 | C12 | C11 | O17 | 19.0° | 24.0° |
| C14 | C12 | O13 | C11 | 110.3° | 114.6° |
| C14 | C12 | O13 | H3 | 125.9° | 122.7° |
| C14 | C12 | C11 | H3 | 119.0° | 118.7° |
| C14 | C12 | C11 | N10 | 99.3° | 142.8° |
| C14 | C12 | C11 | H2 | 140.0° | 94.8° |
| C12 | C14 | C16 | H5 | 74.6° | 95.0° |
| C14 | C12 | O13 | H33 | 180.0° | 180.0° |
| O17 | C11 | C12 | O13 | 97.4° | 142.6° |
| O17 | C11 | C12 | N10 | 118.3° | 118.8° |
| O17 | C11 | C12 | H2 | 121.0° | 118.8° |
| O17 | C11 | N10 | H2 | 122.9° | 122.2° |
| O17 | C11 | N10 | C9 | 39.1° | 24.0° |
| O17 | C11 | N10 | C6 | 141.9° | 156.5° |
| O17 | C11 | C12 | H3 | 138.0° | 94.7° |
| C11 | O17 | C16 | H5 | 84.9° | 78.4° |
| N44 | C43 | C42 | N41 | 179.3° | 179.6° |
| N44 | C43 | C42 | C47 | 0.2° | 0.5° |
| C43 | N44 | C45 | N46 | 0.2° | 0.4° |
| C43 | N44 | C45 | H21 | 179.8° | 179.7° |
| C42 | C43 | N44 | C45 | 0.3° | 0.6° |
| C43 | C42 | N41 | C47 | 179.4° | 179.8° |
| C43 | C42 | C47 | N46 | 0.0° | 0.3° |
| C43 | C42 | C47 | N48 | 180.0° | 179.7° |
| N44 | C45 | N46 | H21 | 180.0° | 179.9° |
| N44 | C45 | N46 | C47 | 0.1° | 0.1° |
| N41 | C42 | C47 | N46 | 179.3° | 180.0° |
| N41 | C42 | C47 | N48 | 0.7° | 0.0° |
| C42 | N41 | C40 | H20 | 179.8° | 179.9° |
| O13 | C12 | C11 | H3 | 124.6° | 122.6° |
| O13 | C12 | C11 | N10 | 144.3° | 98.5° |
| O13 | C12 | C11 | H2 | 23.6° | 23.8° |
| O13 | C12 | C14 | H4 | 166.5° | 122.7° |
| C12 | C11 | N10 | H2 | 120.3° | 122.4° |
| C12 | C11 | N10 | C9 | 77.7° | 91.4° |
| C12 | C11 | N10 | C6 | 101.3° | 88.1° |
| C11 | C12 | C14 | H4 | 79.1° | 118.7° |
| C11 | C12 | O13 | H33 | 69.8° | 65.4° |
| C11 | N10 | C9 | C6 | 179.1° | 179.6° |
| C11 | N10 | C9 | N8 | 179.0° | 180.0° |
| C11 | N10 | C6 | C7 | 179.2° | 179.9° |
| C11 | N10 | C6 | N5 | 1.5° | 0.8° |
| N10 | C11 | C12 | H3 | 19.7° | 24.1° |
| C11 | N10 | C9 | H22 | 1.0° | 0.2° |
| N10 | C9 | N8 | H22 | 180.0° | 179.9° |
| N10 | C9 | N8 | C7 | 0.2° | 0.1° |
| C9 | N10 | C6 | C7 | 0.0° | 0.4° |
| C9 | N10 | C6 | N5 | 179.4° | 179.6° |
| C9 | N10 | C11 | H2 | 162.0° | 146.2° |
| N8 | C9 | N10 | C6 | 0.1° | 0.3° |
| C9 | N8 | C7 | C6 | 0.2° | 0.2° |
| C9 | N8 | C7 | C2 | 179.8° | 180.0° |
| C42 | C47 | N46 | C45 | 0.2° | 0.0° |
| C42 | C47 | N46 | N48 | 180.0° | 180.0° |
| C42 | C47 | N48 | H28 | 180.0° | 0.0° |
| C42 | C47 | N48 | H29 | 60.0° | 180.0° |
| N10 | C6 | C7 | N8 | 0.2° | 0.4° |
| N10 | C6 | C7 | N5 | 179.5° | 179.3° |
| N10 | C6 | C7 | C2 | 179.8° | 179.8° |
| N10 | C6 | N5 | C4 | 180.0° | 179.5° |
| C6 | N10 | C11 | H2 | 19.0° | 34.3° |
| C6 | N10 | C9 | H22 | 179.9° | 179.8° |
| C45 | N46 | C47 | N48 | 179.9° | 180.0° |
| N8 | C7 | C6 | C2 | 180.0° | 179.8° |
| N8 | C7 | C6 | N5 | 179.6° | 179.7° |
| N8 | C7 | C2 | N1 | 0.4° | 0.0° |
| N8 | C7 | C2 | N3 | 179.8° | 180.0° |
| C7 | N8 | C9 | H22 | 179.8° | 179.9° |
| C47 | N46 | C45 | H21 | 180.0° | 180.0° |
| N46 | C47 | N48 | H28 | 0.0° | 180.0° |
| N46 | C47 | N48 | H29 | 120.0° | 0.0° |
| C47 | N48 | H28 | H29 | 120.0° | 180.0° |
| C7 | C6 | N5 | C4 | 0.7° | 0.5° |
| C6 | C7 | C2 | N1 | 179.6° | 179.7° |
| C6 | C7 | C2 | N3 | 0.1° | 0.3° |
| N5 | C6 | C7 | C2 | 0.4° | 0.5° |
| C6 | N5 | C4 | N3 | 0.9° | 0.2° |
| C6 | N5 | C4 | H1 | 179.1° | 179.7° |
| C7 | C2 | N1 | N3 | 179.8° | 180.0° |
| C7 | C2 | N3 | C4 | 0.3° | 0.0° |
| C7 | C2 | N1 | H23 | 179.8° | 0.0° |
| C7 | C2 | N1 | H24 | 60.2° | 180.0° |
| N5 | C4 | N3 | C2 | 0.7° | 0.1° |
| N5 | C4 | N3 | H1 | 180.0° | 179.9° |
| N1 | C2 | N3 | C4 | 179.5° | 180.0° |
| C2 | N1 | H23 | H24 | 120.0° | 180.0° |
| C2 | N3 | C4 | H1 | 179.3° | 180.0° |
| N3 | C2 | N1 | H23 | 0.0° | 180.0° |
| N3 | C2 | N1 | H24 | 120.0° | 0.0° |
| H2 | C11 | C12 | H3 | 101.0° | 146.4° |
| H3 | C12 | C14 | H4 | 39.8° | 0.0° |
| H3 | C12 | O13 | H33 | 54.1° | 57.4° |
| H4 | C14 | C16 | H5 | 170.1° | 146.4° |
| H5 | C16 | C18 | H6 | 78.4° | 172.8° |
| H5 | C16 | C18 | H7 | 40.0° | 67.2° |
| H6 | C18 | C19 | H8 | 72.2° | 65.0° |
| H7 | C18 | C19 | H8 | 169.5° | 175.0° |
| H8 | C19 | C20 | H9 | 74.4° | 65.0° |
| H8 | C19 | C20 | H10 | 44.7° | 175.1° |
| H8 | C19 | N49 | H30 | 61.7° | 179.9° |
| H8 | C19 | N49 | H31 | 178.3° | 56.1° |
| H9 | C20 | C21 | H11 | 168.1° | 179.9° |
| H9 | C20 | C21 | H12 | 73.3° | 59.9° |
| H10 | C20 | C21 | H11 | 49.0° | 60.0° |
| H10 | C20 | C21 | H12 | 167.6° | 180.0° |
| H11 | C21 | C22 | H13 | 49.4° | 175.0° |
| H12 | C21 | C22 | H13 | 69.2° | 65.0° |
| H13 | C22 | N26 | H25 | 63.4° | 56.0° |
| H13 | C22 | N26 | H26 | 56.7° | 180.0° |
| H14 | C31 | C32 | H16 | 80.5° | 174.5° |
| H15 | C31 | C32 | H16 | 40.0° | 65.5° |
| H16 | C32 | C33 | H17 | 154.2° | 123.9° |
| H17 | C33 | C35 | H18 | 37.3° | 21.3° |
| H17 | C33 | O34 | H36 | 57.2° | 57.5° |
| H18 | C35 | C37 | H19 | 92.5° | 160.2° |
| H18 | C35 | O36 | H37 | 54.9° | 62.2° |
