A2U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.53Å | 1.52Å | |
| C02 | S03 | sing | 1.81Å | 1.82Å | |
| S03 | C04 | sing | 1.81Å | 1.83Å | |
| O23 | P21 | doub | 1.48Å | 1.52Å | |
| C17 | C16 | sing | 1.53Å | 1.57Å | |
| C18 | C16 | sing | 1.53Å | 1.54Å | |
| C04 | C05 | sing | 1.53Å | 1.56Å | |
| O24 | P21 | sing | 1.61Å | 1.66Å | |
| O24 | P25 | sing | 1.61Å | 1.66Å | |
| C16 | C19 | sing | 1.53Å | 1.55Å | |
| C16 | C14 | sing | 1.53Å | 1.54Å | |
| P21 | O22 | sing | 1.61Å | 1.51Å | |
| P21 | O20 | sing | 1.61Å | 1.67Å | |
| C09 | C10 | sing | 1.53Å | 1.56Å | |
| C09 | C07 | sing | 1.51Å | 1.52Å | |
| C05 | N06 | sing | 1.46Å | 1.47Å | |
| C10 | N11 | sing | 1.47Å | 1.46Å | |
| N11 | C12 | sing | 1.35Å | 1.48Å | |
| C19 | O20 | sing | 1.43Å | 1.42Å | |
| O15 | C14 | sing | 1.43Å | 1.43Å | |
| O26 | P25 | doub | 1.48Å | 1.50Å | |
| C14 | C12 | sing | 1.51Å | 1.57Å | |
| C12 | O13 | doub | 1.21Å | 1.20Å | |
| O27 | P25 | sing | 1.61Å | 1.50Å | |
| P25 | O28 | sing | 1.61Å | 1.68Å | |
| N06 | C07 | sing | 1.35Å | 1.47Å | |
| C07 | O08 | doub | 1.21Å | 1.19Å | |
| O28 | C29 | sing | 1.43Å | 1.43Å | |
| C29 | C30 | sing | 1.53Å | 1.54Å | |
| O31 | C32 | sing | 1.44Å | 1.52Å | |
| O31 | C30 | sing | 1.44Å | 1.60Å | |
| C34 | N33 | sing | 1.36Å | 1.33Å | Aromatic |
| C34 | N35 | doub | 1.30Å | 1.34Å | Aromatic |
| C32 | N33 | sing | 1.46Å | 1.52Å | |
| C32 | C43 | sing | 1.55Å | 1.37Å | |
| N33 | C42 | sing | 1.37Å | 1.37Å | Aromatic |
| C30 | C45 | sing | 1.54Å | 1.32Å | |
| N35 | C36 | sing | 1.35Å | 1.35Å | Aromatic |
| C42 | C36 | doub | 1.41Å | 1.37Å | Aromatic |
| C42 | N41 | sing | 1.33Å | 1.35Å | Aromatic |
| C36 | C37 | sing | 1.41Å | 1.42Å | Aromatic |
| C43 | C45 | sing | 1.55Å | 1.63Å | |
| C43 | O44 | sing | 1.43Å | 1.41Å | |
| C45 | O46 | sing | 1.43Å | 1.43Å | |
| N41 | C40 | doub | 1.32Å | 1.34Å | Aromatic |
| C37 | N38 | sing | 1.38Å | 1.47Å | |
| C37 | N39 | doub | 1.33Å | 1.33Å | Aromatic |
| O49 | P47 | doub | 1.48Å | 1.52Å | |
| C40 | N39 | sing | 1.32Å | 1.33Å | Aromatic |
| O50 | P47 | sing | 1.61Å | 1.50Å | |
| O46 | P47 | sing | 1.61Å | 1.65Å | |
| P47 | O48 | sing | 1.61Å | 1.51Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C02 | H9 | sing | 1.09Å | 1.10Å | |
| C02 | H10 | sing | 1.09Å | 1.10Å | |
| C04 | H11 | sing | 1.09Å | 1.10Å | |
| C04 | H12 | sing | 1.09Å | 1.10Å | |
| C05 | H13 | sing | 1.09Å | 1.10Å | |
| C05 | H14 | sing | 1.09Å | 1.10Å | |
| C09 | H15 | sing | 1.09Å | 1.10Å | |
| C09 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C29 | H23 | sing | 1.09Å | 1.10Å | |
| C29 | H24 | sing | 1.09Å | 1.10Å | |
| C30 | H25 | sing | 1.09Å | 1.10Å | |
| C32 | H26 | sing | 1.09Å | 1.10Å | |
| C34 | H27 | sing | 1.08Å | 1.08Å | |
| C40 | H28 | sing | 1.08Å | 1.08Å | |
| C43 | H29 | sing | 1.09Å | 1.10Å | |
| C45 | H30 | sing | 1.09Å | 1.10Å | |
| N06 | H31 | sing | 0.97Å | 1.00Å | |
| N11 | H32 | sing | 0.97Å | 1.00Å | |
| N38 | H33 | sing | 0.97Å | 1.00Å | |
| N38 | H34 | sing | 0.97Å | 1.00Å | |
| O15 | H35 | sing | 0.97Å | 0.95Å | |
| O22 | H36 | sing | 0.97Å | 0.95Å | |
| O27 | H37 | sing | 0.97Å | 0.95Å | |
| O44 | H38 | sing | 0.97Å | 0.95Å | |
| O48 | H39 | sing | 0.97Å | 0.95Å | |
| O50 | H40 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | S03 | 109.6° | 109.5° |
| C02 | C01 | H6 | 109.5° | 109.5° |
| C02 | C01 | H7 | 109.5° | 109.5° |
| C02 | C01 | H8 | 109.4° | 109.5° |
| C01 | C02 | H9 | 109.4° | 109.5° |
| C01 | C02 | H10 | 109.4° | 109.5° |
| C02 | S03 | C04 | 108.9° | 103.0° |
| S03 | C02 | H9 | 109.5° | 109.5° |
| S03 | C02 | H10 | 109.4° | 109.4° |
| S03 | C04 | C05 | 109.7° | 109.5° |
| S03 | C04 | H11 | 109.4° | 109.5° |
| S03 | C04 | H12 | 109.4° | 109.5° |
| O23 | P21 | O24 | 109.3° | 109.5° |
| O23 | P21 | O22 | 109.4° | 109.5° |
| O23 | P21 | O20 | 109.2° | 109.5° |
| C17 | C16 | C18 | 109.3° | 109.5° |
| C17 | C16 | C19 | 108.9° | 109.5° |
| C17 | C16 | C14 | 110.0° | 109.5° |
| C16 | C17 | H3 | 109.5° | 109.5° |
| C16 | C17 | H4 | 109.5° | 109.4° |
| C16 | C17 | H5 | 109.5° | 109.4° |
| C18 | C16 | C19 | 109.9° | 109.5° |
| C18 | C16 | C14 | 109.2° | 109.5° |
| C16 | C18 | H18 | 109.5° | 109.5° |
| C16 | C18 | H19 | 109.5° | 109.5° |
| C16 | C18 | H20 | 109.5° | 109.5° |
| C04 | C05 | N06 | 110.5° | 109.5° |
| C05 | C04 | H11 | 109.4° | 109.5° |
| C05 | C04 | H12 | 109.4° | 109.5° |
| C04 | C05 | H13 | 109.2° | 109.5° |
| C04 | C05 | H14 | 109.2° | 109.5° |
| P21 | O24 | P25 | 125.0° | 134.0° |
| O24 | P21 | O22 | 109.9° | 109.5° |
| O24 | P21 | O20 | 108.8° | 109.4° |
| O24 | P25 | O26 | 108.1° | 109.5° |
| O24 | P25 | O27 | 109.8° | 109.4° |
| O24 | P25 | O28 | 111.3° | 109.5° |
| C19 | C16 | C14 | 109.6° | 109.5° |
| C16 | C19 | O20 | 108.5° | 109.5° |
| C16 | C19 | H21 | 109.7° | 109.4° |
| C16 | C19 | H22 | 109.7° | 109.5° |
| C16 | C14 | O15 | 108.1° | 109.4° |
| C16 | C14 | C12 | 112.9° | 109.5° |
| C16 | C14 | H17 | 109.0° | 109.5° |
| O22 | P21 | O20 | 110.1° | 109.5° |
| P21 | O22 | H36 | 109.5° | 114.0° |
| P21 | O20 | C19 | 118.6° | 123.0° |
| C10 | C09 | C07 | 111.1° | 109.4° |
| C09 | C10 | N11 | 108.7° | 109.4° |
| C09 | C10 | H1 | 109.7° | 109.5° |
| C09 | C10 | H2 | 109.7° | 109.5° |
| C10 | C09 | H15 | 109.1° | 109.5° |
| C10 | C09 | H16 | 109.1° | 109.5° |
| C09 | C07 | N06 | 120.3° | 120.0° |
| C09 | C07 | O08 | 119.5° | 120.0° |
| C07 | C09 | H15 | 109.1° | 109.4° |
| C07 | C09 | H16 | 109.1° | 109.5° |
| C05 | N06 | C07 | 120.8° | 120.0° |
| N06 | C05 | H13 | 109.2° | 109.4° |
| N06 | C05 | H14 | 109.2° | 109.5° |
| C05 | N06 | H31 | 119.6° | 120.0° |
| C10 | N11 | C12 | 121.1° | 119.9° |
| N11 | C10 | H1 | 109.7° | 109.4° |
| N11 | C10 | H2 | 109.7° | 109.5° |
| C10 | N11 | H32 | 119.5° | 120.0° |
| N11 | C12 | C14 | 119.6° | 119.9° |
| N11 | C12 | O13 | 120.4° | 120.1° |
| C12 | N11 | H32 | 119.4° | 120.1° |
| O20 | C19 | H21 | 109.7° | 109.5° |
| O20 | C19 | H22 | 109.7° | 109.5° |
| O15 | C14 | C12 | 107.6° | 109.4° |
| O15 | C14 | H17 | 110.6° | 109.5° |
| C14 | O15 | H35 | 109.5° | 114.0° |
| O26 | P25 | O27 | 109.5° | 109.5° |
| O26 | P25 | O28 | 108.3° | 109.5° |
| C14 | C12 | O13 | 120.1° | 120.0° |
| C12 | C14 | H17 | 108.6° | 109.5° |
| O27 | P25 | O28 | 109.8° | 109.4° |
| P25 | O27 | H37 | 109.5° | 114.0° |
| P25 | O28 | C29 | 117.0° | 123.0° |
| N06 | C07 | O08 | 120.2° | 120.0° |
| C07 | N06 | H31 | 119.6° | 120.0° |
| O28 | C29 | C30 | 110.8° | 109.4° |
| O28 | C29 | H23 | 109.1° | 109.5° |
| O28 | C29 | H24 | 109.1° | 109.4° |
| C29 | C30 | O31 | 111.6° | 109.9° |
| C29 | C30 | C45 | 110.3° | 109.8° |
| C30 | C29 | H23 | 109.1° | 109.5° |
| C30 | C29 | H24 | 109.1° | 109.5° |
| C29 | C30 | H25 | 108.6° | 109.8° |
| C32 | O31 | C30 | 103.3° | 107.0° |
| O31 | C32 | N33 | 129.2° | 110.7° |
| O31 | C32 | C43 | 104.6° | 103.5° |
| O31 | C32 | H26 | 106.5° | 110.7° |
| O31 | C30 | C45 | 106.6° | 107.3° |
| O31 | C30 | H25 | 107.9° | 110.0° |
| N33 | C34 | N35 | 110.1° | 110.0° |
| C34 | N33 | C32 | 124.6° | 126.3° |
| C34 | N33 | C42 | 107.5° | 107.5° |
| N33 | C34 | H27 | 125.0° | 125.0° |
| C34 | N35 | C36 | 107.7° | 109.4° |
| N35 | C34 | H27 | 124.9° | 125.0° |
| N33 | C32 | C43 | 100.1° | 110.6° |
| C32 | N33 | C42 | 127.9° | 126.3° |
| N33 | C32 | H26 | 106.6° | 110.6° |
| C32 | C43 | C45 | 106.3° | 102.1° |
| C32 | C43 | O44 | 112.6° | 110.9° |
| C43 | C32 | H26 | 108.3° | 110.6° |
| C32 | C43 | H29 | 111.2° | 110.9° |
| N33 | C42 | C36 | 107.2° | 106.0° |
| N33 | C42 | N41 | 133.3° | 135.0° |
| C30 | C45 | C43 | 108.2° | 104.2° |
| C30 | C45 | O46 | 109.3° | 110.5° |
| C45 | C30 | H25 | 111.8° | 109.9° |
| C30 | C45 | H30 | 111.7° | 110.5° |
| N35 | C36 | C42 | 107.5° | 107.2° |
| N35 | C36 | C37 | 134.0° | 134.7° |
| C36 | C42 | N41 | 119.5° | 119.1° |
| C42 | C36 | C37 | 118.5° | 118.2° |
| C42 | N41 | C40 | 120.0° | 120.7° |
| C36 | C37 | N38 | 120.5° | 120.8° |
| C36 | C37 | N39 | 119.2° | 118.5° |
| C45 | C43 | O44 | 108.0° | 110.9° |
| C43 | C45 | O46 | 110.2° | 110.5° |
| C45 | C43 | H29 | 107.8° | 110.9° |
| C43 | C45 | H30 | 107.5° | 110.5° |
| O44 | C43 | H29 | 110.7° | 110.8° |
| C43 | O44 | H38 | 109.5° | 114.0° |
| C45 | O46 | P47 | 118.2° | 123.0° |
| O46 | C45 | H30 | 110.0° | 110.6° |
| N41 | C40 | N39 | 122.3° | 122.5° |
| N41 | C40 | H28 | 118.8° | 118.8° |
| N38 | C37 | N39 | 120.3° | 120.7° |
| C37 | N38 | H33 | 109.5° | 120.0° |
| C37 | N38 | H34 | 109.4° | 120.0° |
| C37 | N39 | C40 | 120.4° | 121.2° |
| O49 | P47 | O50 | 109.5° | 109.5° |
| O49 | P47 | O46 | 109.4° | 109.4° |
| O49 | P47 | O48 | 109.6° | 109.5° |
| N39 | C40 | H28 | 118.8° | 118.8° |
| O50 | P47 | O46 | 109.6° | 109.5° |
| O50 | P47 | O48 | 109.4° | 109.5° |
| P47 | O50 | H40 | 109.5° | 114.0° |
| O46 | P47 | O48 | 109.3° | 109.5° |
| P47 | O48 | H39 | 109.5° | 114.0° |
| H1 | C10 | H2 | 109.4° | 109.5° |
| H3 | C17 | H4 | 109.4° | 109.5° |
| H3 | C17 | H5 | 109.4° | 109.5° |
| H4 | C17 | H5 | 109.5° | 109.5° |
| H6 | C01 | H7 | 109.5° | 109.5° |
| H6 | C01 | H8 | 109.5° | 109.5° |
| H7 | C01 | H8 | 109.5° | 109.4° |
| H9 | C02 | H10 | 109.5° | 109.5° |
| H11 | C04 | H12 | 109.5° | 109.4° |
| H13 | C05 | H14 | 109.5° | 109.5° |
| H15 | C09 | H16 | 109.5° | 109.5° |
| H18 | C18 | H19 | 109.4° | 109.5° |
| H18 | C18 | H20 | 109.5° | 109.4° |
| H19 | C18 | H20 | 109.5° | 109.5° |
| H21 | C19 | H22 | 109.5° | 109.4° |
| H23 | C29 | H24 | 109.5° | 109.5° |
| H33 | N38 | H34 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | S03 | H9 | 120.0° | 120.0° |
| C01 | C02 | S03 | H10 | 120.0° | 120.0° |
| C01 | C02 | S03 | C04 | 164.5° | 180.0° |
| C02 | C01 | H6 | H7 | 120.0° | 120.0° |
| C02 | C01 | H6 | H8 | 120.0° | 120.0° |
| C02 | C01 | H7 | H8 | 120.0° | 120.0° |
| C01 | C02 | H9 | H10 | 119.9° | 120.0° |
| C02 | S03 | C04 | C05 | 172.5° | 180.0° |
| S03 | C02 | C01 | H6 | 180.0° | 60.0° |
| S03 | C02 | C01 | H7 | 60.0° | 60.0° |
| S03 | C02 | C01 | H8 | 60.0° | 180.0° |
| S03 | C02 | H9 | H10 | 119.9° | 120.0° |
| C02 | S03 | C04 | H11 | 52.4° | 60.0° |
| C02 | S03 | C04 | H12 | 67.5° | 60.0° |
| S03 | C04 | C05 | H11 | 120.1° | 120.0° |
| S03 | C04 | C05 | H12 | 120.0° | 120.0° |
| S03 | C04 | C05 | N06 | 179.1° | 180.0° |
| C04 | S03 | C02 | H9 | 75.5° | 60.0° |
| C04 | S03 | C02 | H10 | 44.5° | 60.0° |
| S03 | C04 | H11 | H12 | 119.8° | 120.0° |
| S03 | C04 | C05 | H13 | 58.9° | 60.0° |
| S03 | C04 | C05 | H14 | 60.7° | 60.0° |
| O23 | P21 | O24 | O22 | 120.1° | 120.1° |
| O23 | P21 | O24 | O20 | 119.2° | 120.0° |
| O23 | P21 | O24 | P25 | 152.4° | 40.0° |
| O23 | P21 | O22 | O20 | 120.1° | 120.0° |
| O23 | P21 | O20 | C19 | 26.8° | 55.0° |
| O23 | P21 | O22 | H36 | 0.0° | 180.0° |
| C17 | C16 | C18 | C19 | 119.4° | 120.0° |
| C17 | C16 | C18 | C14 | 120.3° | 120.0° |
| C17 | C16 | C19 | C14 | 120.3° | 120.0° |
| C17 | C16 | C19 | O20 | 135.8° | 60.0° |
| C17 | C16 | C14 | O15 | 80.6° | 179.0° |
| C17 | C16 | C14 | C12 | 38.3° | 61.0° |
| C16 | C17 | H3 | H4 | 120.0° | 120.0° |
| C16 | C17 | H3 | H5 | 120.0° | 119.9° |
| C16 | C17 | H4 | H5 | 120.0° | 119.9° |
| C17 | C16 | C14 | H17 | 159.2° | 59.0° |
| C17 | C16 | C18 | H18 | 180.0° | 63.1° |
| C17 | C16 | C18 | H19 | 60.0° | 176.9° |
| C17 | C16 | C18 | H20 | 60.0° | 56.9° |
| C17 | C16 | C19 | H21 | 104.4° | 60.1° |
| C17 | C16 | C19 | H22 | 15.9° | 180.0° |
| C18 | C16 | C19 | C14 | 120.1° | 120.0° |
| C18 | C16 | C19 | O20 | 16.1° | 60.0° |
| C18 | C16 | C14 | O15 | 39.4° | 59.1° |
| C18 | C16 | C14 | C12 | 158.3° | 179.0° |
| C18 | C16 | C17 | H3 | 180.0° | 52.6° |
| C18 | C16 | C17 | H4 | 60.0° | 67.4° |
| C18 | C16 | C17 | H5 | 60.0° | 172.6° |
| C18 | C16 | C14 | H17 | 80.9° | 61.0° |
| C16 | C18 | H18 | H19 | 120.0° | 120.0° |
| C16 | C18 | H18 | H20 | 120.0° | 120.0° |
| C16 | C18 | H19 | H20 | 120.0° | 120.0° |
| C18 | C16 | C19 | H21 | 136.0° | 179.9° |
| C18 | C16 | C19 | H22 | 103.7° | 60.0° |
| C04 | C05 | N06 | H13 | 120.2° | 120.0° |
| C04 | C05 | N06 | H14 | 120.1° | 120.0° |
| C04 | C05 | N06 | C07 | 128.7° | 180.0° |
| C05 | C04 | H11 | H12 | 119.9° | 120.0° |
| C04 | C05 | H13 | H14 | 119.5° | 120.0° |
| C04 | C05 | N06 | H31 | 51.3° | 0.0° |
| O24 | P21 | O22 | O20 | 119.9° | 120.0° |
| O24 | P21 | O20 | C19 | 146.0° | 175.0° |
| P21 | O24 | P25 | O26 | 173.4° | 45.0° |
| P21 | O24 | P25 | O27 | 67.2° | 75.0° |
| P21 | O24 | P25 | O28 | 54.5° | 165.0° |
| O24 | P21 | O22 | H36 | 120.0° | 60.0° |
| P25 | O24 | P21 | O22 | 32.3° | 80.1° |
| P25 | O24 | P21 | O20 | 88.4° | 160.0° |
| O24 | P25 | O26 | O27 | 119.6° | 120.0° |
| O24 | P25 | O26 | O28 | 120.8° | 120.0° |
| O24 | P25 | O27 | O28 | 122.7° | 120.0° |
| O24 | P25 | O28 | C29 | 171.3° | 175.0° |
| O24 | P25 | O27 | H37 | 118.5° | 60.0° |
| C16 | C19 | O20 | P21 | 115.0° | 180.0° |
| C16 | C19 | O20 | H21 | 119.8° | 120.0° |
| C16 | C19 | O20 | H22 | 119.8° | 120.0° |
| C19 | C16 | C14 | O15 | 159.8° | 61.0° |
| C19 | C16 | C14 | C12 | 81.3° | 59.0° |
| C19 | C16 | C17 | H3 | 60.0° | 67.4° |
| C19 | C16 | C17 | H4 | 180.0° | 172.6° |
| C19 | C16 | C17 | H5 | 60.0° | 52.6° |
| C19 | C16 | C14 | H17 | 39.5° | 179.0° |
| C19 | C16 | C18 | H18 | 60.6° | 56.9° |
| C19 | C16 | C18 | H19 | 59.4° | 63.1° |
| C19 | C16 | C18 | H20 | 179.4° | 176.9° |
| C16 | C19 | H21 | H22 | 120.5° | 120.0° |
| C16 | C14 | C12 | N11 | 93.2° | 73.0° |
| C14 | C16 | C19 | O20 | 103.9° | 180.0° |
| C16 | C14 | O15 | C12 | 122.2° | 120.0° |
| C16 | C14 | O15 | H17 | 119.3° | 120.0° |
| C16 | C14 | C12 | H17 | 121.1° | 120.0° |
| C16 | C14 | C12 | O13 | 86.6° | 107.0° |
| C14 | C16 | C17 | H3 | 60.1° | 172.6° |
| C14 | C16 | C17 | H4 | 59.9° | 52.5° |
| C14 | C16 | C17 | H5 | 179.9° | 67.5° |
| C14 | C16 | C18 | H18 | 59.7° | 176.9° |
| C14 | C16 | C18 | H19 | 179.7° | 56.9° |
| C14 | C16 | C18 | H20 | 60.3° | 63.1° |
| C14 | C16 | C19 | H21 | 15.9° | 59.9° |
| C14 | C16 | C19 | H22 | 136.2° | 60.0° |
| C16 | C14 | O15 | H35 | 180.0° | 59.9° |
| O22 | P21 | O20 | C19 | 93.4° | 65.0° |
| P21 | O20 | C19 | H21 | 125.2° | 60.0° |
| P21 | O20 | C19 | H22 | 4.9° | 60.0° |
| O20 | P21 | O22 | H36 | 120.1° | 60.0° |
| C10 | C09 | C07 | H15 | 120.3° | 119.9° |
| C10 | C09 | C07 | H16 | 120.2° | 120.0° |
| C09 | C10 | N11 | H1 | 119.9° | 120.0° |
| C09 | C10 | N11 | H2 | 119.9° | 120.0° |
| C09 | C10 | N11 | C12 | 143.3° | 180.0° |
| C10 | C09 | C07 | N06 | 96.8° | 180.0° |
| C10 | C09 | C07 | O08 | 82.8° | 0.0° |
| C09 | C10 | H1 | H2 | 120.4° | 120.1° |
| C10 | C09 | H15 | H16 | 119.3° | 120.0° |
| C09 | C10 | N11 | H32 | 36.7° | 0.0° |
| C09 | C07 | N06 | C05 | 0.4° | 180.0° |
| C07 | C09 | C10 | N11 | 62.8° | 180.0° |
| C09 | C07 | N06 | O08 | 179.6° | 180.0° |
| C07 | C09 | C10 | H1 | 57.0° | 60.0° |
| C07 | C09 | C10 | H2 | 177.3° | 60.1° |
| C07 | C09 | H15 | H16 | 119.3° | 120.1° |
| C09 | C07 | N06 | H31 | 179.6° | 0.0° |
| C05 | N06 | C07 | H31 | 180.0° | 180.0° |
| C05 | N06 | C07 | O08 | 180.0° | 0.0° |
| N06 | C05 | C04 | H11 | 60.9° | 60.0° |
| N06 | C05 | C04 | H12 | 59.1° | 60.0° |
| N06 | C05 | H13 | H14 | 119.5° | 120.0° |
| C10 | N11 | C12 | H32 | 180.0° | 179.9° |
| C10 | N11 | C12 | C14 | 179.8° | 175.7° |
| C10 | N11 | C12 | O13 | 0.4° | 4.3° |
| N11 | C10 | H1 | H2 | 120.3° | 120.0° |
| N11 | C10 | C09 | H15 | 57.4° | 60.0° |
| N11 | C10 | C09 | H16 | 176.9° | 60.0° |
| N11 | C12 | C14 | O15 | 26.0° | 167.1° |
| N11 | C12 | C14 | O13 | 179.8° | 180.0° |
| C12 | N11 | C10 | H1 | 23.4° | 60.0° |
| C12 | N11 | C10 | H2 | 96.8° | 60.0° |
| N11 | C12 | C14 | H17 | 145.7° | 47.0° |
| O20 | C19 | H21 | H22 | 120.5° | 120.0° |
| O15 | C14 | C12 | H17 | 119.7° | 120.0° |
| O15 | C14 | C12 | O13 | 154.2° | 12.9° |
| O26 | P25 | O27 | O28 | 118.8° | 120.0° |
| O26 | P25 | O28 | C29 | 70.0° | 54.9° |
| O26 | P25 | O27 | H37 | 0.0° | 180.0° |
| C14 | C12 | N11 | H32 | 0.2° | 4.4° |
| C12 | C14 | O15 | H35 | 57.7° | 60.0° |
| O13 | C12 | C14 | H17 | 34.4° | 133.0° |
| O13 | C12 | N11 | H32 | 179.6° | 175.6° |
| O27 | P25 | O28 | C29 | 49.5° | 65.1° |
| P25 | O28 | C29 | C30 | 156.3° | 180.0° |
| P25 | O28 | C29 | H23 | 83.5° | 59.9° |
| P25 | O28 | C29 | H24 | 36.1° | 60.1° |
| O28 | P25 | O27 | H37 | 118.8° | 60.0° |
| C07 | N06 | C05 | H13 | 8.6° | 60.0° |
| C07 | N06 | C05 | H14 | 111.1° | 60.0° |
| N06 | C07 | C09 | H15 | 23.5° | 60.0° |
| N06 | C07 | C09 | H16 | 143.0° | 60.0° |
| O08 | C07 | C09 | H15 | 156.9° | 120.0° |
| O08 | C07 | C09 | H16 | 37.4° | 120.0° |
| O08 | C07 | N06 | H31 | 0.0° | 180.0° |
| O28 | C29 | C30 | H23 | 120.2° | 120.1° |
| O28 | C29 | C30 | H24 | 120.2° | 119.9° |
| O28 | C29 | C30 | O31 | 27.4° | 67.1° |
| O28 | C29 | C30 | C45 | 91.0° | 175.0° |
| O28 | C29 | H23 | H24 | 119.4° | 120.0° |
| O28 | C29 | C30 | H25 | 146.2° | 54.0° |
| C29 | C30 | O31 | C32 | 96.2° | 92.9° |
| C29 | C30 | O31 | C45 | 120.6° | 119.4° |
| C29 | C30 | O31 | H25 | 119.3° | 121.0° |
| C29 | C30 | C45 | H25 | 120.9° | 120.9° |
| C29 | C30 | C45 | C43 | 114.3° | 117.4° |
| C29 | C30 | C45 | O46 | 125.8° | 123.9° |
| C30 | C29 | H23 | H24 | 119.4° | 120.0° |
| C29 | C30 | C45 | H30 | 3.8° | 1.2° |
| O31 | C32 | N33 | C34 | 153.2° | 19.1° |
| O31 | C32 | N33 | C43 | 118.5° | 114.1° |
| O31 | C32 | N33 | H26 | 128.7° | 123.0° |
| O31 | C32 | C43 | H26 | 113.3° | 118.6° |
| O31 | C32 | N33 | C42 | 24.5° | 160.9° |
| C32 | O31 | C30 | C45 | 24.3° | 26.5° |
| O31 | C32 | C43 | C45 | 29.3° | 37.0° |
| O31 | C32 | C43 | O44 | 88.7° | 81.2° |
| C32 | O31 | C30 | H25 | 144.5° | 146.0° |
| O31 | C32 | C43 | H29 | 146.4° | 155.2° |
| C30 | O31 | C32 | N33 | 149.9° | 158.5° |
| C30 | O31 | C32 | C43 | 33.3° | 40.0° |
| O31 | C30 | C45 | H25 | 117.6° | 119.6° |
| O31 | C30 | C45 | C43 | 7.1° | 2.0° |
| O31 | C30 | C45 | O46 | 112.8° | 116.7° |
| O31 | C30 | C29 | H23 | 147.6° | 172.8° |
| O31 | C30 | C29 | H24 | 92.8° | 52.8° |
| C30 | O31 | C32 | H26 | 81.3° | 78.5° |
| O31 | C30 | C45 | H30 | 125.2° | 120.7° |
| N33 | C34 | N35 | H27 | 180.0° | 179.8° |
| C34 | N33 | C32 | C42 | 177.6° | 179.9° |
| C34 | N33 | C32 | C43 | 88.3° | 95.0° |
| N33 | C34 | N35 | C36 | 0.4° | 0.0° |
| C34 | N33 | C42 | C36 | 1.1° | 0.0° |
| C34 | N33 | C42 | N41 | 179.6° | 180.0° |
| C34 | N33 | C32 | H26 | 24.4° | 142.1° |
| N35 | C34 | N33 | C32 | 179.0° | 179.9° |
| N35 | C34 | N33 | C42 | 1.0° | 0.0° |
| C34 | N35 | C36 | C42 | 0.3° | 0.1° |
| C34 | N35 | C36 | C37 | 180.0° | 180.0° |
| N33 | C32 | C43 | H26 | 111.4° | 122.9° |
| C32 | N33 | C42 | C36 | 179.1° | 180.0° |
| C32 | N33 | C42 | N41 | 2.4° | 0.1° |
| N33 | C32 | C43 | C45 | 164.6° | 155.5° |
| N33 | C32 | C43 | O44 | 46.6° | 37.4° |
| C32 | N33 | C34 | H27 | 1.0° | 0.2° |
| N33 | C32 | C43 | H29 | 78.3° | 86.2° |
| C43 | C32 | N33 | C42 | 94.0° | 85.0° |
| C32 | C43 | C45 | C30 | 14.4° | 20.9° |
| C32 | C43 | C45 | O44 | 121.1° | 118.2° |
| C32 | C43 | C45 | H29 | 119.3° | 118.3° |
| C32 | C43 | O44 | H29 | 125.2° | 123.7° |
| C32 | C43 | C45 | O46 | 133.8° | 139.5° |
| C32 | C43 | C45 | H30 | 106.4° | 97.8° |
| C32 | C43 | O44 | H38 | 180.0° | 61.5° |
| N33 | C42 | C36 | N35 | 0.9° | 0.1° |
| N33 | C42 | C36 | N41 | 178.7° | 179.9° |
| N33 | C42 | C36 | C37 | 179.4° | 180.0° |
| N33 | C42 | N41 | C40 | 178.9° | 180.0° |
| C42 | N33 | C32 | H26 | 153.2° | 37.8° |
| C42 | N33 | C34 | H27 | 179.1° | 179.8° |
| C30 | C45 | C43 | O46 | 119.4° | 118.6° |
| C30 | C45 | C43 | H30 | 120.8° | 118.7° |
| C30 | C45 | C43 | O44 | 106.6° | 97.3° |
| C30 | C45 | O46 | H30 | 123.0° | 122.6° |
| C30 | C45 | O46 | P47 | 53.4° | 120.0° |
| C45 | C30 | C29 | H23 | 29.2° | 55.0° |
| C45 | C30 | C29 | H24 | 148.8° | 65.0° |
| C30 | C45 | C43 | H29 | 133.8° | 139.1° |
| N35 | C36 | C42 | C37 | 179.7° | 180.0° |
| N35 | C36 | C42 | N41 | 179.6° | 180.0° |
| N35 | C36 | C37 | N38 | 0.1° | 0.0° |
| N35 | C36 | C37 | N39 | 180.0° | 179.9° |
| C36 | N35 | C34 | H27 | 179.6° | 179.8° |
| C36 | C42 | N41 | C40 | 0.6° | 0.1° |
| C42 | C36 | C37 | N38 | 179.7° | 179.9° |
| C42 | C36 | C37 | N39 | 0.4° | 0.0° |
| N41 | C42 | C36 | C37 | 0.6° | 0.0° |
| C42 | N41 | C40 | N39 | 0.3° | 0.1° |
| C42 | N41 | C40 | H28 | 179.7° | 180.0° |
| C36 | C37 | N38 | N39 | 179.9° | 180.0° |
| C36 | C37 | N39 | C40 | 0.1° | 0.0° |
| C36 | C37 | N38 | H33 | 179.9° | 0.0° |
| C36 | C37 | N38 | H34 | 60.1° | 180.0° |
| C45 | C43 | O44 | H29 | 117.8° | 123.6° |
| C43 | C45 | O46 | H30 | 118.3° | 122.6° |
| C43 | C45 | O46 | P47 | 172.1° | 125.2° |
| C43 | C45 | C30 | H25 | 124.7° | 121.6° |
| C45 | C43 | C32 | H26 | 84.0° | 81.6° |
| C45 | C43 | O44 | H38 | 62.9° | 174.2° |
| O44 | C43 | C45 | O46 | 12.7° | 21.3° |
| O44 | C43 | C32 | H26 | 158.0° | 160.2° |
| O44 | C43 | C45 | H30 | 132.6° | 144.0° |
| C45 | O46 | P47 | O49 | 39.1° | 55.0° |
| C45 | O46 | P47 | O50 | 81.0° | 65.0° |
| C45 | O46 | P47 | O48 | 159.1° | 175.0° |
| O46 | C45 | C30 | H25 | 4.8° | 3.0° |
| O46 | C45 | C43 | H29 | 106.9° | 102.2° |
| N41 | C40 | N39 | C37 | 0.0° | 0.0° |
| N41 | C40 | N39 | H28 | 180.0° | 179.9° |
| N38 | C37 | N39 | C40 | 180.0° | 180.0° |
| C37 | N38 | H33 | H34 | 120.0° | 179.9° |
| C37 | N39 | C40 | H28 | 179.9° | 180.0° |
| N39 | C37 | N38 | H33 | 0.0° | 180.0° |
| N39 | C37 | N38 | H34 | 120.0° | 0.1° |
| O49 | P47 | O50 | O46 | 120.0° | 120.0° |
| O49 | P47 | O50 | O48 | 120.1° | 120.0° |
| O49 | P47 | O46 | O48 | 120.0° | 120.0° |
| O49 | P47 | O48 | H39 | 0.0° | 60.0° |
| O49 | P47 | O50 | H40 | 0.0° | 180.0° |
| O50 | P47 | O46 | O48 | 119.9° | 120.0° |
| O50 | P47 | O48 | H39 | 120.0° | 60.0° |
| P47 | O46 | C45 | H30 | 69.6° | 2.6° |
| O46 | P47 | O48 | H39 | 119.9° | 180.0° |
| O46 | P47 | O50 | H40 | 120.1° | 60.1° |
| O48 | P47 | O50 | H40 | 120.1° | 60.0° |
| H1 | C10 | C09 | H15 | 177.3° | 59.9° |
| H1 | C10 | C09 | H16 | 63.2° | 180.0° |
| H1 | C10 | N11 | H32 | 156.6° | 120.0° |
| H2 | C10 | C09 | H15 | 62.5° | 180.0° |
| H2 | C10 | C09 | H16 | 57.1° | 60.0° |
| H2 | C10 | N11 | H32 | 83.2° | 120.0° |
| H3 | C17 | H4 | H5 | 119.9° | 120.1° |
| H6 | C01 | H7 | H8 | 120.0° | 120.0° |
| H6 | C01 | C02 | H9 | 60.0° | 60.0° |
| H6 | C01 | C02 | H10 | 60.0° | 180.0° |
| H7 | C01 | C02 | H9 | 60.0° | 180.0° |
| H7 | C01 | C02 | H10 | 180.0° | 59.9° |
| H8 | C01 | C02 | H9 | 180.0° | 60.0° |
| H8 | C01 | C02 | H10 | 60.0° | 60.0° |
| H11 | C04 | C05 | H13 | 179.0° | 60.0° |
| H11 | C04 | C05 | H14 | 59.3° | 180.0° |
| H12 | C04 | C05 | H13 | 61.1° | 180.0° |
| H12 | C04 | C05 | H14 | 179.2° | 60.0° |
| H13 | C05 | N06 | H31 | 171.4° | 120.0° |
| H14 | C05 | N06 | H31 | 68.9° | 120.0° |
| H17 | C14 | O15 | H35 | 60.7° | 180.0° |
| H18 | C18 | H19 | H20 | 120.0° | 120.0° |
| H23 | C29 | C30 | H25 | 93.6° | 66.0° |
| H24 | C29 | C30 | H25 | 26.0° | 174.0° |
| H25 | C30 | C45 | H30 | 117.2° | 119.7° |
| H26 | C32 | C43 | H29 | 33.1° | 36.6° |
| H29 | C43 | C45 | H30 | 13.0° | 20.5° |
| H29 | C43 | O44 | H38 | 54.8° | 62.2° |
