AI5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N31 | C30 | doub | 1.32Å | 1.33Å | Aromatic |
| N31 | C32 | sing | 1.33Å | 1.31Å | Aromatic |
| C30 | N29 | sing | 1.32Å | 1.33Å | Aromatic |
| N33 | C32 | sing | 1.38Å | 1.46Å | |
| C32 | C34 | doub | 1.41Å | 1.42Å | Aromatic |
| N29 | C28 | doub | 1.33Å | 1.33Å | Aromatic |
| C34 | C28 | sing | 1.40Å | 1.38Å | Aromatic |
| C34 | N35 | sing | 1.35Å | 1.34Å | Aromatic |
| C28 | N27 | sing | 1.37Å | 1.36Å | Aromatic |
| O38 | C37 | sing | 1.43Å | 1.49Å | |
| N35 | C36 | doub | 1.30Å | 1.33Å | Aromatic |
| N27 | C26 | sing | 1.47Å | 1.32Å | |
| N27 | C36 | sing | 1.36Å | 1.31Å | Aromatic |
| C37 | C26 | sing | 1.55Å | 1.52Å | |
| C37 | C39 | sing | 1.55Å | 1.35Å | |
| C26 | O25 | sing | 1.44Å | 1.60Å | |
| C39 | O40 | sing | 1.43Å | 1.42Å | |
| C39 | C24 | sing | 1.54Å | 1.65Å | |
| O25 | C24 | sing | 1.44Å | 1.28Å | |
| C24 | C23 | sing | 1.53Å | 1.54Å | |
| O3' | C48 | sing | 1.43Å | 1.52Å | |
| O16 | C10 | doub | 1.22Å | 1.19Å | |
| C23 | C22 | sing | 1.53Å | 1.56Å | |
| C48 | C17 | sing | 1.55Å | 1.29Å | |
| C48 | C01 | sing | 1.54Å | 1.54Å | |
| C17 | O18 | sing | 1.43Å | 1.49Å | |
| C17 | C08 | sing | 1.55Å | 1.60Å | |
| O18 | C19 | sing | 1.43Å | 1.46Å | |
| C20 | C19 | sing | 1.53Å | 1.56Å | |
| C20 | N21 | sing | 1.47Å | 1.52Å | |
| C10 | N11 | sing | 1.33Å | 1.33Å | |
| C10 | N09 | sing | 1.34Å | 1.34Å | |
| N11 | C12 | doub | 1.33Å | 1.32Å | |
| C22 | N21 | sing | 1.47Å | 1.49Å | |
| O03 | P | sing | 1.61Å | 1.71Å | |
| O03 | C02 | sing | 1.43Å | 1.43Å | |
| N21 | C41 | sing | 1.47Å | 1.46Å | |
| C01 | C02 | sing | 1.53Å | 1.41Å | |
| C01 | O07 | sing | 1.44Å | 1.54Å | |
| P | O05 | sing | 1.61Å | 1.51Å | |
| P | O06 | sing | 1.61Å | 1.50Å | |
| N09 | C08 | sing | 1.47Å | 1.45Å | |
| N09 | C15 | sing | 1.36Å | 1.31Å | |
| C12 | N13 | sing | 1.38Å | 1.43Å | |
| C12 | C14 | sing | 1.41Å | 1.36Å | |
| C08 | O07 | sing | 1.44Å | 1.31Å | |
| C41 | C42 | sing | 1.53Å | 1.58Å | |
| C15 | C14 | doub | 1.35Å | 1.36Å | |
| O46 | C45 | doub | 1.21Å | 1.27Å | |
| C42 | C43 | sing | 1.53Å | 1.55Å | |
| C45 | O47 | sing | 1.34Å | 1.27Å | |
| C45 | C43 | sing | 1.51Å | 1.52Å | |
| C43 | N44 | sing | 1.47Å | 1.45Å | |
| C24 | H1 | sing | 1.09Å | 1.10Å | |
| C22 | H2 | sing | 1.09Å | 1.10Å | |
| C22 | H3 | sing | 1.09Å | 1.10Å | |
| C23 | H4 | sing | 1.09Å | 1.10Å | |
| C23 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C02 | H10 | sing | 1.09Å | 1.10Å | |
| C02 | H11 | sing | 1.09Å | 1.10Å | |
| C08 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| O3' | H16 | sing | 0.97Å | 0.95Å | |
| O05 | H17 | sing | 0.97Å | 0.95Å | |
| O06 | H18 | sing | 0.97Å | 0.95Å | |
| N13 | H19 | sing | 0.97Å | 1.00Å | |
| N13 | H20 | sing | 0.97Å | 1.00Å | |
| C14 | H21 | sing | 1.08Å | 1.08Å | |
| C26 | H23 | sing | 1.09Å | 1.10Å | |
| C30 | H24 | sing | 1.08Å | 1.08Å | |
| N33 | H25 | sing | 0.97Å | 1.00Å | |
| N33 | H26 | sing | 0.97Å | 1.00Å | |
| C36 | H27 | sing | 1.08Å | 1.08Å | |
| C37 | H28 | sing | 1.09Å | 1.10Å | |
| O38 | H29 | sing | 0.97Å | 0.95Å | |
| C39 | H30 | sing | 1.09Å | 1.10Å | |
| O40 | H31 | sing | 0.97Å | 0.95Å | |
| C41 | H32 | sing | 1.09Å | 1.10Å | |
| C41 | H33 | sing | 1.09Å | 1.10Å | |
| C42 | H34 | sing | 1.09Å | 1.10Å | |
| C42 | H35 | sing | 1.09Å | 1.10Å | |
| C43 | H36 | sing | 1.09Å | 1.10Å | |
| N44 | H37 | sing | 1.01Å | 1.00Å | |
| N44 | H38 | sing | 1.01Å | 1.00Å | |
| O47 | H40 | sing | 0.97Å | 0.95Å | |
| C48 | H41 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C30 | N31 | C32 | 120.9° | 121.2° |
| N31 | C30 | N29 | 121.1° | 122.5° |
| N31 | C30 | H24 | 119.4° | 118.8° |
| N31 | C32 | N33 | 120.8° | 120.8° |
| N31 | C32 | C34 | 118.8° | 118.4° |
| C30 | N29 | C28 | 122.2° | 120.6° |
| N29 | C30 | H24 | 119.5° | 118.8° |
| N33 | C32 | C34 | 120.4° | 120.8° |
| C32 | N33 | H25 | 109.5° | 120.0° |
| C32 | N33 | H26 | 109.4° | 120.0° |
| C32 | C34 | C28 | 119.4° | 118.2° |
| C32 | C34 | N35 | 133.7° | 134.7° |
| N29 | C28 | C34 | 117.5° | 119.1° |
| N29 | C28 | N27 | 136.0° | 134.9° |
| C28 | C34 | N35 | 106.8° | 107.1° |
| C34 | C28 | N27 | 106.5° | 106.0° |
| C34 | N35 | C36 | 108.9° | 109.5° |
| C28 | N27 | C26 | 126.5° | 126.2° |
| C28 | N27 | C36 | 108.9° | 107.4° |
| O38 | C37 | C26 | 108.2° | 110.9° |
| O38 | C37 | C39 | 112.6° | 110.9° |
| O38 | C37 | H28 | 109.8° | 110.8° |
| C37 | O38 | H29 | 109.5° | 114.0° |
| N35 | C36 | N27 | 109.0° | 110.0° |
| N35 | C36 | H27 | 125.5° | 125.0° |
| C26 | N27 | C36 | 124.6° | 126.3° |
| N27 | C26 | C37 | 112.1° | 110.7° |
| N27 | C26 | O25 | 108.8° | 110.6° |
| N27 | C26 | H23 | 112.5° | 110.5° |
| N27 | C36 | H27 | 125.5° | 125.0° |
| C26 | C37 | C39 | 104.8° | 102.1° |
| C37 | C26 | O25 | 105.6° | 103.5° |
| C37 | C26 | H23 | 109.3° | 110.7° |
| C26 | C37 | H28 | 109.3° | 110.9° |
| C37 | C39 | O40 | 113.0° | 110.5° |
| C37 | C39 | C24 | 105.9° | 104.1° |
| C39 | C37 | H28 | 111.9° | 111.0° |
| C37 | C39 | H30 | 110.8° | 110.5° |
| C26 | O25 | C24 | 105.4° | 107.0° |
| O25 | C26 | H23 | 108.3° | 110.6° |
| O40 | C39 | C24 | 110.1° | 110.6° |
| O40 | C39 | H30 | 109.8° | 110.4° |
| C39 | O40 | H31 | 109.5° | 114.0° |
| C39 | C24 | O25 | 104.1° | 107.4° |
| C39 | C24 | C23 | 111.8° | 109.9° |
| C39 | C24 | H1 | 108.4° | 109.9° |
| C24 | C39 | H30 | 106.9° | 110.6° |
| O25 | C24 | C23 | 108.5° | 109.9° |
| O25 | C24 | H1 | 114.0° | 109.8° |
| C24 | C23 | C22 | 113.8° | 109.5° |
| C23 | C24 | H1 | 109.8° | 109.9° |
| C24 | C23 | H4 | 108.4° | 109.4° |
| C24 | C23 | H5 | 108.4° | 109.4° |
| O3' | C48 | C17 | 109.7° | 110.5° |
| O3' | C48 | C01 | 112.4° | 110.5° |
| C48 | O3' | H16 | 109.5° | 114.1° |
| O3' | C48 | H41 | 108.4° | 110.4° |
| O16 | C10 | N11 | 115.8° | 119.4° |
| O16 | C10 | N09 | 121.5° | 119.5° |
| C23 | C22 | N21 | 113.2° | 109.5° |
| C23 | C22 | H2 | 108.5° | 109.5° |
| C23 | C22 | H3 | 108.5° | 109.4° |
| C22 | C23 | H4 | 108.4° | 109.5° |
| C22 | C23 | H5 | 108.4° | 109.5° |
| C17 | C48 | C01 | 106.2° | 104.2° |
| C48 | C17 | O18 | 116.0° | 110.9° |
| C48 | C17 | C08 | 102.5° | 102.1° |
| C48 | C17 | H13 | 111.1° | 110.9° |
| C17 | C48 | H41 | 111.9° | 110.5° |
| C48 | C01 | C02 | 111.5° | 109.9° |
| C48 | C01 | O07 | 103.6° | 107.3° |
| C48 | C01 | H9 | 109.3° | 110.0° |
| C01 | C48 | H41 | 108.2° | 110.6° |
| O18 | C17 | C08 | 111.6° | 110.9° |
| C17 | O18 | C19 | 115.7° | 114.0° |
| O18 | C17 | H13 | 108.2° | 110.8° |
| C17 | C08 | N09 | 114.5° | 110.8° |
| C17 | C08 | O07 | 106.1° | 103.5° |
| C17 | C08 | H12 | 107.0° | 110.6° |
| C08 | C17 | H13 | 107.0° | 110.9° |
| O18 | C19 | C20 | 108.7° | 109.4° |
| O18 | C19 | H14 | 109.7° | 109.5° |
| O18 | C19 | H15 | 109.6° | 109.5° |
| C19 | C20 | N21 | 109.2° | 109.4° |
| C19 | C20 | H6 | 109.5° | 109.4° |
| C19 | C20 | H7 | 109.5° | 109.4° |
| C20 | C19 | H14 | 109.7° | 109.5° |
| C20 | C19 | H15 | 109.7° | 109.5° |
| C20 | N21 | C22 | 111.7° | 111.0° |
| C20 | N21 | C41 | 109.6° | 111.0° |
| N21 | C20 | H6 | 109.5° | 109.5° |
| N21 | C20 | H7 | 109.5° | 109.5° |
| N11 | C10 | N09 | 122.6° | 121.1° |
| C10 | N11 | C12 | 119.3° | 120.7° |
| C10 | N09 | C08 | 128.2° | 119.8° |
| C10 | N09 | C15 | 119.7° | 120.4° |
| N11 | C12 | N13 | 125.7° | 120.2° |
| N11 | C12 | C14 | 118.0° | 119.6° |
| C22 | N21 | C41 | 111.9° | 111.0° |
| N21 | C22 | H2 | 108.6° | 109.5° |
| N21 | C22 | H3 | 108.5° | 109.5° |
| P | O03 | C02 | 119.8° | 123.0° |
| O03 | P | O05 | 107.2° | 102.0° |
| O03 | P | O06 | 107.6° | 102.0° |
| O03 | C02 | C01 | 110.4° | 109.5° |
| O03 | C02 | H10 | 109.2° | 109.5° |
| O03 | C02 | H11 | 109.3° | 109.5° |
| N21 | C41 | C42 | 110.2° | 109.5° |
| N21 | C41 | H32 | 109.3° | 109.5° |
| N21 | C41 | H33 | 109.3° | 109.5° |
| C02 | C01 | O07 | 111.9° | 109.9° |
| C02 | C01 | H9 | 111.1° | 109.8° |
| C01 | C02 | H10 | 109.3° | 109.5° |
| C01 | C02 | H11 | 109.2° | 109.4° |
| C01 | O07 | C08 | 104.9° | 107.0° |
| O07 | C01 | H9 | 109.2° | 109.9° |
| O05 | P | O06 | 107.2° | 102.0° |
| P | O05 | H17 | 109.5° | 114.0° |
| P | O06 | H18 | 109.5° | 114.0° |
| C08 | N09 | C15 | 112.1° | 119.8° |
| N09 | C08 | O07 | 109.7° | 110.6° |
| N09 | C08 | H12 | 108.7° | 110.5° |
| N09 | C15 | C14 | 118.1° | 119.2° |
| N09 | C15 | H8 | 121.0° | 120.4° |
| N13 | C12 | C14 | 116.3° | 120.2° |
| C12 | N13 | H19 | 120.0° | 120.0° |
| C12 | N13 | H20 | 120.0° | 120.0° |
| C12 | C14 | C15 | 122.3° | 119.0° |
| C12 | C14 | H21 | 118.8° | 120.5° |
| O07 | C08 | H12 | 110.9° | 110.7° |
| C41 | C42 | C43 | 113.0° | 109.5° |
| C42 | C41 | H32 | 109.3° | 109.5° |
| C42 | C41 | H33 | 109.3° | 109.4° |
| C41 | C42 | H34 | 108.6° | 109.5° |
| C41 | C42 | H35 | 108.6° | 109.5° |
| C14 | C15 | H8 | 121.0° | 120.3° |
| C15 | C14 | H21 | 118.9° | 120.5° |
| O46 | C45 | O47 | 120.1° | 120.0° |
| O46 | C45 | C43 | 119.8° | 120.0° |
| C42 | C43 | C45 | 109.7° | 109.5° |
| C42 | C43 | N44 | 109.4° | 109.5° |
| C43 | C42 | H34 | 108.6° | 109.5° |
| C43 | C42 | H35 | 108.6° | 109.5° |
| C42 | C43 | H36 | 108.8° | 109.4° |
| O47 | C45 | C43 | 120.2° | 119.9° |
| C45 | O47 | H40 | 109.5° | 116.9° |
| C45 | C43 | N44 | 109.4° | 109.5° |
| C45 | C43 | H36 | 109.2° | 109.5° |
| N44 | C43 | H36 | 110.3° | 109.5° |
| C43 | N44 | H37 | 109.5° | 111.0° |
| C43 | N44 | H38 | 109.5° | 111.0° |
| H2 | C22 | H3 | 109.5° | 109.5° |
| H4 | C23 | H5 | 109.5° | 109.5° |
| H6 | C20 | H7 | 109.5° | 109.5° |
| H10 | C02 | H11 | 109.4° | 109.5° |
| H14 | C19 | H15 | 109.5° | 109.5° |
| H19 | N13 | H20 | 120.0° | 120.0° |
| H25 | N33 | H26 | 109.5° | 120.0° |
| H32 | C41 | H33 | 109.5° | 109.5° |
| H34 | C42 | H35 | 109.4° | 109.4° |
| H37 | N44 | H38 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N31 | C30 | N29 | H24 | 180.0° | 180.0° |
| C30 | N31 | C32 | N33 | 180.0° | 180.0° |
| C30 | N31 | C32 | C34 | 0.1° | 0.0° |
| N31 | C30 | N29 | C28 | 0.3° | 0.0° |
| C32 | N31 | C30 | N29 | 0.4° | 0.0° |
| N31 | C32 | N33 | C34 | 180.0° | 180.0° |
| N31 | C32 | C34 | C28 | 0.3° | 0.0° |
| N31 | C32 | C34 | N35 | 180.0° | 180.0° |
| C32 | N31 | C30 | H24 | 179.6° | 180.0° |
| N31 | C32 | N33 | H25 | 0.0° | 0.1° |
| N31 | C32 | N33 | H26 | 120.0° | 180.0° |
| C30 | N29 | C28 | C34 | 0.1° | 0.1° |
| C30 | N29 | C28 | N27 | 179.9° | 180.0° |
| N33 | C32 | C34 | C28 | 179.7° | 179.9° |
| N33 | C32 | C34 | N35 | 0.0° | 0.0° |
| C32 | N33 | H25 | H26 | 120.0° | 179.9° |
| C32 | C34 | C28 | N29 | 0.4° | 0.1° |
| C32 | C34 | C28 | N35 | 179.7° | 179.9° |
| C32 | C34 | C28 | N27 | 179.6° | 180.0° |
| C32 | C34 | N35 | C36 | 179.3° | 179.7° |
| C34 | C32 | N33 | H25 | 180.0° | 179.9° |
| C34 | C32 | N33 | H26 | 60.0° | 0.0° |
| N29 | C28 | C34 | N27 | 180.0° | 179.9° |
| N29 | C28 | C34 | N35 | 179.9° | 180.0° |
| N29 | C28 | N27 | C26 | 0.9° | 0.0° |
| N29 | C28 | N27 | C36 | 179.8° | 179.7° |
| C28 | N29 | C30 | H24 | 179.7° | 179.9° |
| C28 | C34 | N35 | C36 | 0.3° | 0.3° |
| C34 | C28 | N27 | C26 | 179.2° | 179.9° |
| C34 | C28 | N27 | C36 | 0.1° | 0.3° |
| N35 | C34 | C28 | N27 | 0.1° | 0.0° |
| C34 | N35 | C36 | N27 | 0.4° | 0.5° |
| C34 | N35 | C36 | H27 | 179.6° | 179.7° |
| C28 | N27 | C36 | N35 | 0.3° | 0.5° |
| C28 | N27 | C26 | C36 | 179.2° | 179.6° |
| C28 | N27 | C26 | C37 | 96.6° | 89.7° |
| C28 | N27 | C26 | O25 | 147.1° | 156.1° |
| C28 | N27 | C26 | H23 | 27.1° | 33.3° |
| C28 | N27 | C36 | H27 | 179.6° | 179.8° |
| O38 | C37 | C26 | N27 | 130.3° | 86.2° |
| O38 | C37 | C26 | C39 | 120.3° | 118.1° |
| O38 | C37 | C26 | H28 | 119.5° | 123.6° |
| O38 | C37 | C39 | H28 | 124.3° | 123.6° |
| O38 | C37 | C26 | O25 | 111.4° | 155.3° |
| O38 | C37 | C39 | O40 | 29.8° | 20.4° |
| O38 | C37 | C39 | C24 | 90.9° | 139.2° |
| O38 | C37 | C26 | H23 | 4.9° | 36.7° |
| O38 | C37 | C39 | H30 | 153.5° | 102.1° |
| N35 | C36 | N27 | C26 | 179.0° | 179.9° |
| N35 | C36 | N27 | H27 | 180.0° | 179.7° |
| N27 | C26 | C37 | O25 | 118.3° | 118.5° |
| N27 | C26 | C37 | H23 | 125.4° | 122.9° |
| N27 | C26 | C37 | C39 | 109.4° | 155.7° |
| N27 | C26 | O25 | H23 | 122.6° | 122.8° |
| N27 | C26 | O25 | C24 | 138.1° | 158.7° |
| C26 | N27 | C36 | H27 | 1.1° | 0.1° |
| N27 | C26 | C37 | H28 | 10.8° | 37.3° |
| C36 | N27 | C26 | C37 | 84.3° | 90.7° |
| C36 | N27 | C26 | O25 | 32.1° | 23.5° |
| C36 | N27 | C26 | H23 | 152.1° | 146.3° |
| C26 | C37 | C39 | H28 | 118.4° | 118.2° |
| C37 | C26 | O25 | H23 | 117.0° | 118.6° |
| C26 | C37 | C39 | O40 | 147.1° | 97.8° |
| C26 | C37 | C39 | C24 | 26.5° | 21.0° |
| C37 | C26 | O25 | C24 | 17.6° | 40.1° |
| C26 | C37 | O38 | H29 | 180.0° | 180.0° |
| C26 | C37 | C39 | H30 | 89.1° | 139.7° |
| C39 | C37 | C26 | O25 | 8.9° | 37.1° |
| C37 | C39 | O40 | C24 | 118.2° | 114.7° |
| C37 | C39 | O40 | H30 | 124.3° | 122.5° |
| C37 | C39 | C24 | H30 | 118.3° | 118.6° |
| C37 | C39 | C24 | O25 | 40.3° | 1.9° |
| C37 | C39 | C24 | C23 | 157.3° | 121.4° |
| C37 | C39 | C24 | H1 | 81.5° | 117.6° |
| C39 | C37 | C26 | H23 | 125.2° | 81.4° |
| C39 | C37 | O38 | H29 | 64.6° | 67.3° |
| C37 | C39 | O40 | H31 | 180.0° | 61.4° |
| C26 | O25 | C24 | C39 | 31.7° | 26.4° |
| C26 | O25 | C24 | C23 | 151.0° | 146.0° |
| C26 | O25 | C24 | H1 | 86.3° | 93.1° |
| O25 | C26 | C37 | H28 | 129.0° | 81.2° |
| O40 | C39 | C24 | H30 | 119.2° | 122.7° |
| O40 | C39 | C24 | O25 | 162.8° | 120.6° |
| O40 | C39 | C24 | C23 | 80.2° | 119.9° |
| O40 | C39 | C24 | H1 | 41.0° | 1.2° |
| O40 | C39 | C37 | H28 | 94.5° | 144.0° |
| C39 | C24 | O25 | C23 | 119.2° | 119.5° |
| C39 | C24 | O25 | H1 | 118.0° | 119.5° |
| C39 | C24 | C23 | H1 | 120.4° | 121.1° |
| C39 | C24 | C23 | C22 | 90.5° | 175.3° |
| C39 | C24 | C23 | H4 | 30.1° | 55.3° |
| C39 | C24 | C23 | H5 | 148.8° | 64.7° |
| C24 | C39 | C37 | H28 | 144.9° | 97.2° |
| C24 | C39 | O40 | H31 | 61.8° | 176.2° |
| O25 | C24 | C23 | H1 | 125.3° | 120.9° |
| O25 | C24 | C23 | C22 | 155.2° | 66.7° |
| O25 | C24 | C23 | H4 | 84.2° | 173.3° |
| O25 | C24 | C23 | H5 | 34.5° | 53.3° |
| C24 | O25 | C26 | H23 | 99.4° | 78.5° |
| O25 | C24 | C39 | H30 | 78.0° | 116.8° |
| C24 | C23 | C22 | H4 | 120.6° | 120.0° |
| C24 | C23 | C22 | H5 | 120.6° | 120.0° |
| C24 | C23 | C22 | N21 | 83.7° | 180.0° |
| C24 | C23 | C22 | H2 | 36.9° | 60.0° |
| C24 | C23 | C22 | H3 | 155.8° | 60.0° |
| C24 | C23 | H4 | H5 | 118.0° | 119.9° |
| C23 | C24 | C39 | H30 | 39.0° | 2.8° |
| O3' | C48 | C17 | C01 | 121.7° | 118.7° |
| O3' | C48 | C17 | H41 | 120.4° | 122.5° |
| O3' | C48 | C01 | H41 | 119.7° | 122.6° |
| O3' | C48 | C17 | O18 | 35.2° | 20.4° |
| O3' | C48 | C17 | C08 | 157.1° | 97.8° |
| O3' | C48 | C01 | C02 | 99.1° | 119.8° |
| O3' | C48 | C01 | O07 | 140.4° | 120.7° |
| O3' | C48 | C01 | H9 | 24.1° | 1.2° |
| O3' | C48 | C17 | H13 | 88.9° | 144.0° |
| O16 | C10 | N11 | N09 | 179.9° | 180.0° |
| O16 | C10 | N11 | C12 | 179.9° | 180.0° |
| O16 | C10 | N09 | C08 | 0.4° | 0.0° |
| O16 | C10 | N09 | C15 | 179.9° | 180.0° |
| C23 | C22 | N21 | C20 | 50.9° | 170.0° |
| C23 | C22 | N21 | H2 | 120.5° | 120.0° |
| C23 | C22 | N21 | H3 | 120.5° | 120.0° |
| C23 | C22 | N21 | C41 | 72.4° | 66.0° |
| C22 | C23 | C24 | H1 | 29.9° | 54.3° |
| C23 | C22 | H2 | H3 | 118.3° | 120.0° |
| C22 | C23 | H4 | H5 | 118.0° | 120.0° |
| C17 | C48 | C01 | H41 | 120.3° | 118.7° |
| C48 | C17 | O18 | C08 | 116.9° | 112.8° |
| C48 | C17 | O18 | H13 | 125.7° | 123.6° |
| C48 | C17 | C08 | H13 | 117.0° | 118.2° |
| C48 | C17 | O18 | C19 | 37.6° | 101.0° |
| C17 | C48 | C01 | C02 | 140.9° | 121.5° |
| C17 | C48 | C01 | O07 | 20.4° | 2.0° |
| C48 | C17 | C08 | N09 | 78.0° | 155.6° |
| C48 | C17 | C08 | O07 | 43.1° | 37.0° |
| C17 | C48 | C01 | H9 | 95.9° | 117.5° |
| C48 | C17 | C08 | H12 | 161.5° | 81.5° |
| C17 | C48 | O3' | H16 | 180.0° | 179.9° |
| C01 | C48 | C17 | O18 | 86.5° | 139.1° |
| C01 | C48 | C17 | C08 | 35.4° | 20.9° |
| C48 | C01 | C02 | O03 | 48.5° | 175.7° |
| C48 | C01 | C02 | O07 | 115.4° | 117.8° |
| C48 | C01 | C02 | H9 | 122.2° | 121.1° |
| C48 | C01 | O07 | H9 | 116.3° | 119.6° |
| C48 | C01 | O07 | C08 | 7.9° | 26.5° |
| C48 | C01 | C02 | H10 | 71.6° | 55.7° |
| C48 | C01 | C02 | H11 | 168.7° | 64.3° |
| C01 | C48 | C17 | H13 | 149.4° | 97.4° |
| C01 | C48 | O3' | H16 | 62.1° | 65.2° |
| O18 | C17 | C08 | H13 | 118.2° | 123.5° |
| C17 | O18 | C19 | C20 | 149.6° | 175.4° |
| O18 | C17 | C08 | N09 | 157.2° | 86.2° |
| O18 | C17 | C08 | O07 | 81.7° | 155.2° |
| O18 | C17 | C08 | H12 | 36.8° | 36.7° |
| C17 | O18 | C19 | H14 | 29.7° | 64.6° |
| C17 | O18 | C19 | H15 | 90.5° | 55.4° |
| O18 | C17 | C48 | H41 | 155.7° | 102.1° |
| C08 | C17 | O18 | C19 | 79.3° | 146.3° |
| C17 | C08 | N09 | C10 | 4.4° | 62.9° |
| C17 | C08 | O07 | C01 | 28.0° | 40.1° |
| C17 | C08 | N09 | O07 | 119.1° | 114.1° |
| C17 | C08 | N09 | H12 | 119.5° | 123.0° |
| C17 | C08 | N09 | C15 | 175.8° | 117.0° |
| C17 | C08 | O07 | H12 | 115.8° | 118.5° |
| C08 | C17 | C48 | H41 | 82.5° | 139.7° |
| O18 | C19 | C20 | H14 | 119.9° | 120.0° |
| O18 | C19 | C20 | H15 | 119.9° | 120.0° |
| O18 | C19 | C20 | N21 | 130.0° | 65.2° |
| O18 | C19 | C20 | H6 | 10.0° | 174.8° |
| O18 | C19 | C20 | H7 | 110.1° | 54.7° |
| C19 | O18 | C17 | H13 | 163.3° | 22.6° |
| O18 | C19 | H14 | H15 | 120.3° | 120.0° |
| C19 | C20 | N21 | H6 | 120.0° | 120.0° |
| C19 | C20 | N21 | H7 | 120.0° | 120.0° |
| C19 | C20 | N21 | C22 | 177.1° | 75.8° |
| C19 | C20 | N21 | C41 | 52.4° | 160.3° |
| C19 | C20 | H6 | H7 | 120.1° | 120.0° |
| C20 | C19 | H14 | H15 | 120.3° | 120.0° |
| C20 | N21 | C22 | C41 | 123.3° | 123.9° |
| C20 | N21 | C41 | C42 | 87.3° | 71.3° |
| C20 | N21 | C22 | H2 | 69.6° | 70.0° |
| C20 | N21 | C22 | H3 | 171.5° | 50.0° |
| N21 | C20 | H6 | H7 | 120.1° | 120.1° |
| N21 | C20 | C19 | H14 | 110.1° | 174.8° |
| N21 | C20 | C19 | H15 | 10.1° | 54.7° |
| C20 | N21 | C41 | H32 | 152.6° | 168.6° |
| C20 | N21 | C41 | H33 | 32.9° | 48.6° |
| N11 | C10 | N09 | C08 | 179.5° | 180.0° |
| N11 | C10 | N09 | C15 | 0.2° | 0.0° |
| C10 | N11 | C12 | N13 | 179.7° | 180.0° |
| C10 | N11 | C12 | C14 | 0.1° | 0.0° |
| N09 | C10 | N11 | C12 | 0.2° | 0.0° |
| C10 | N09 | C08 | C15 | 179.7° | 180.0° |
| C10 | N09 | C08 | O07 | 114.7° | 51.2° |
| C10 | N09 | C15 | C14 | 0.1° | 0.1° |
| C10 | N09 | C15 | H8 | 179.9° | 179.7° |
| C10 | N09 | C08 | H12 | 123.9° | 174.1° |
| N11 | C12 | N13 | C14 | 179.8° | 180.0° |
| N11 | C12 | C14 | C15 | 0.3° | 0.0° |
| N11 | C12 | N13 | H19 | 0.0° | 0.0° |
| N11 | C12 | N13 | H20 | 180.0° | 180.0° |
| N11 | C12 | C14 | H21 | 179.6° | 179.7° |
| C22 | N21 | C41 | C42 | 148.2° | 164.7° |
| N21 | C22 | H2 | H3 | 118.3° | 120.0° |
| N21 | C22 | C23 | H4 | 155.7° | 60.0° |
| N21 | C22 | C23 | H5 | 37.0° | 60.0° |
| C22 | N21 | C20 | H6 | 63.0° | 44.2° |
| C22 | N21 | C20 | H7 | 57.1° | 164.3° |
| C22 | N21 | C41 | H32 | 28.1° | 44.7° |
| C22 | N21 | C41 | H33 | 91.7° | 75.4° |
| P | O03 | C02 | C01 | 165.6° | 180.0° |
| O03 | P | O05 | O06 | 115.3° | 105.2° |
| P | O03 | C02 | H10 | 74.2° | 60.0° |
| P | O03 | C02 | H11 | 45.5° | 60.0° |
| O03 | P | O05 | H17 | 180.0° | 180.0° |
| O03 | P | O06 | H18 | 180.0° | 74.7° |
| O03 | C02 | C01 | H10 | 120.2° | 120.0° |
| O03 | C02 | C01 | H11 | 120.1° | 120.0° |
| O03 | C02 | C01 | O07 | 66.9° | 66.5° |
| C02 | O03 | P | O05 | 142.5° | 165.0° |
| C02 | O03 | P | O06 | 27.5° | 89.8° |
| O03 | C02 | C01 | H9 | 170.7° | 54.6° |
| O03 | C02 | H10 | H11 | 119.6° | 120.0° |
| N21 | C41 | C42 | H32 | 120.1° | 120.0° |
| N21 | C41 | C42 | H33 | 120.1° | 120.0° |
| N21 | C41 | C42 | C43 | 167.4° | 175.3° |
| C41 | N21 | C22 | H2 | 167.1° | 54.0° |
| C41 | N21 | C22 | H3 | 48.2° | 174.0° |
| C41 | N21 | C20 | H6 | 172.4° | 79.7° |
| C41 | N21 | C20 | H7 | 67.5° | 40.4° |
| N21 | C41 | H32 | H33 | 119.6° | 120.0° |
| N21 | C41 | C42 | H34 | 46.9° | 55.2° |
| N21 | C41 | C42 | H35 | 72.1° | 64.7° |
| C02 | C01 | O07 | H9 | 123.5° | 121.0° |
| C02 | C01 | O07 | C08 | 112.3° | 146.0° |
| C01 | C02 | H10 | H11 | 119.6° | 119.9° |
| C02 | C01 | C48 | H41 | 20.6° | 2.7° |
| C01 | O07 | C08 | N09 | 96.2° | 158.7° |
| O07 | C01 | C02 | H10 | 172.9° | 173.5° |
| O07 | C01 | C02 | H11 | 53.2° | 53.5° |
| C01 | O07 | C08 | H12 | 143.8° | 78.5° |
| O07 | C01 | C48 | H41 | 99.9° | 116.7° |
| O05 | P | O06 | H18 | 64.9° | 180.0° |
| O06 | P | O05 | H17 | 64.7° | 74.8° |
| N09 | C08 | O07 | H12 | 120.0° | 122.8° |
| C08 | N09 | C15 | C14 | 179.8° | 180.0° |
| C08 | N09 | C15 | H8 | 0.2° | 0.3° |
| N09 | C08 | C17 | H13 | 39.0° | 37.3° |
| N09 | C15 | C14 | C12 | 0.3° | 0.0° |
| C15 | N09 | C08 | O07 | 65.1° | 128.8° |
| N09 | C15 | C14 | H8 | 180.0° | 179.8° |
| C15 | N09 | C08 | H12 | 56.3° | 5.9° |
| N09 | C15 | C14 | H21 | 179.6° | 179.7° |
| N13 | C12 | C14 | C15 | 179.4° | 180.0° |
| C12 | N13 | H19 | H20 | 180.0° | 179.9° |
| N13 | C12 | C14 | H21 | 0.6° | 0.3° |
| C12 | C14 | C15 | H21 | 180.0° | 179.7° |
| C12 | C14 | C15 | H8 | 179.7° | 179.7° |
| C14 | C12 | N13 | H19 | 179.8° | 180.0° |
| C14 | C12 | N13 | H20 | 0.3° | 0.0° |
| C08 | O07 | C01 | H9 | 124.2° | 93.0° |
| O07 | C08 | C17 | H13 | 160.1° | 81.2° |
| C41 | C42 | C43 | H34 | 120.6° | 120.1° |
| C41 | C42 | C43 | H35 | 120.5° | 120.0° |
| C41 | C42 | C43 | C45 | 95.9° | 174.7° |
| C41 | C42 | C43 | N44 | 144.1° | 65.3° |
| C42 | C41 | H32 | H33 | 119.7° | 120.0° |
| C41 | C42 | H34 | H35 | 118.4° | 120.0° |
| C41 | C42 | C43 | H36 | 23.6° | 54.6° |
| O46 | C45 | C43 | C42 | 90.7° | 102.9° |
| O46 | C45 | O47 | C43 | 179.7° | 180.0° |
| O46 | C45 | C43 | N44 | 149.3° | 17.1° |
| O46 | C45 | C43 | H36 | 28.6° | 137.2° |
| O46 | C45 | O47 | H40 | 0.0° | 5.1° |
| C42 | C43 | C45 | O47 | 89.6° | 77.1° |
| C42 | C43 | C45 | N44 | 120.0° | 120.0° |
| C42 | C43 | C45 | H36 | 119.2° | 120.0° |
| C42 | C43 | N44 | H36 | 119.7° | 119.9° |
| C43 | C42 | C41 | H32 | 72.5° | 64.7° |
| C43 | C42 | C41 | H33 | 47.3° | 55.3° |
| C43 | C42 | H34 | H35 | 118.3° | 120.0° |
| C42 | C43 | N44 | H37 | 180.0° | 54.4° |
| C42 | C43 | N44 | H38 | 60.0° | 69.5° |
| O47 | C45 | C43 | N44 | 30.4° | 162.9° |
| O47 | C45 | C43 | H36 | 151.2° | 42.8° |
| C45 | C43 | N44 | H36 | 120.1° | 120.1° |
| C45 | C43 | C42 | H34 | 24.7° | 54.6° |
| C45 | C43 | C42 | H35 | 143.6° | 65.3° |
| C45 | C43 | N44 | H37 | 59.8° | 65.6° |
| C45 | C43 | N44 | H38 | 60.2° | 170.5° |
| C43 | C45 | O47 | H40 | 179.7° | 174.9° |
| N44 | C43 | C42 | H34 | 95.3° | 174.6° |
| N44 | C43 | C42 | H35 | 23.6° | 54.6° |
| C43 | N44 | H37 | H38 | 120.0° | 123.9° |
| H1 | C24 | C23 | H4 | 150.5° | 65.7° |
| H1 | C24 | C23 | H5 | 90.8° | 174.3° |
| H1 | C24 | C39 | H30 | 160.2° | 123.8° |
| H2 | C22 | C23 | H4 | 83.8° | 180.0° |
| H2 | C22 | C23 | H5 | 157.5° | 60.0° |
| H3 | C22 | C23 | H4 | 35.1° | 60.0° |
| H3 | C22 | C23 | H5 | 83.6° | 179.9° |
| H6 | C20 | C19 | H14 | 129.9° | 54.8° |
| H6 | C20 | C19 | H15 | 109.9° | 65.3° |
| H7 | C20 | C19 | H14 | 9.8° | 65.3° |
| H7 | C20 | C19 | H15 | 130.0° | 174.7° |
| H8 | C15 | C14 | H21 | 0.4° | 0.0° |
| H9 | C01 | C02 | H10 | 50.5° | 65.4° |
| H9 | C01 | C02 | H11 | 69.2° | 174.6° |
| H9 | C01 | C48 | H41 | 143.8° | 123.8° |
| H12 | C08 | C17 | H13 | 81.4° | 160.3° |
| H13 | C17 | C48 | H41 | 31.5° | 21.4° |
| H16 | O3' | C48 | H41 | 57.5° | 57.5° |
| H23 | C26 | C37 | H28 | 114.7° | 160.3° |
| H28 | C37 | O38 | H29 | 60.8° | 56.4° |
| H28 | C37 | C39 | H30 | 29.2° | 21.5° |
| H30 | C39 | O40 | H31 | 55.7° | 61.1° |
| H32 | C41 | C42 | H34 | 166.9° | 175.2° |
| H32 | C41 | C42 | H35 | 48.0° | 55.3° |
| H33 | C41 | C42 | H34 | 73.3° | 64.7° |
| H33 | C41 | C42 | H35 | 167.8° | 175.3° |
| H34 | C42 | C43 | H36 | 144.2° | 65.4° |
| H35 | C42 | C43 | H36 | 96.9° | 174.6° |
| H36 | C43 | N44 | H37 | 60.3° | 174.4° |
| H36 | C43 | N44 | H38 | 179.7° | 50.4° |
