1AM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C32 | O31 | sing | 1.43Å | 1.42Å | |
| O31 | C27 | sing | 1.36Å | 1.36Å | |
| O30 | C22 | doub | 1.22Å | 1.23Å | |
| C26 | C27 | doub | 1.38Å | 1.40Å | Aromatic |
| C26 | C23 | sing | 1.40Å | 1.40Å | Aromatic |
| C27 | C28 | sing | 1.39Å | 1.41Å | Aromatic |
| C22 | C23 | sing | 1.48Å | 1.47Å | |
| C22 | N21 | sing | 1.34Å | 1.40Å | |
| C23 | C24 | doub | 1.40Å | 1.41Å | Aromatic |
| S19 | C18 | sing | 1.76Å | 1.70Å | Aromatic |
| S19 | C20 | sing | 1.71Å | 1.71Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.42Å | Aromatic |
| N21 | C18 | sing | 1.39Å | 1.39Å | |
| N21 | C25 | sing | 1.47Å | 1.44Å | |
| C24 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.51Å | 1.50Å | |
| C18 | N17 | doub | 1.30Å | 1.32Å | Aromatic |
| C20 | C16 | doub | 1.35Å | 1.38Å | Aromatic |
| N17 | C16 | sing | 1.34Å | 1.40Å | Aromatic |
| C16 | C14 | sing | 1.47Å | 1.46Å | |
| C14 | O15 | doub | 1.22Å | 1.22Å | |
| C14 | N13 | sing | 1.35Å | 1.36Å | |
| N13 | C04 | sing | 1.40Å | 1.39Å | |
| C04 | C03 | doub | 1.38Å | 1.38Å | Aromatic |
| C04 | C05 | sing | 1.40Å | 1.40Å | Aromatic |
| C03 | N02 | sing | 1.32Å | 1.34Å | Aromatic |
| C09 | C08 | sing | 1.53Å | 1.53Å | |
| C09 | N10 | sing | 1.47Å | 1.47Å | |
| N07 | C05 | sing | 1.39Å | 1.38Å | |
| N07 | C08 | sing | 1.47Å | 1.46Å | |
| N07 | C12 | sing | 1.47Å | 1.52Å | |
| C05 | C06 | doub | 1.39Å | 1.40Å | Aromatic |
| N02 | C01 | doub | 1.32Å | 1.35Å | Aromatic |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C11 | N10 | sing | 1.47Å | 1.48Å | |
| C06 | C01 | sing | 1.38Å | 1.39Å | Aromatic |
| C01 | H1 | sing | 1.08Å | 1.08Å | |
| C03 | H2 | sing | 1.08Å | 1.08Å | |
| C06 | H3 | sing | 1.08Å | 1.08Å | |
| C08 | H4 | sing | 1.09Å | 1.10Å | |
| C08 | H5 | sing | 1.09Å | 1.10Å | |
| C09 | H6 | sing | 1.09Å | 1.10Å | |
| C09 | H7 | sing | 1.09Å | 1.10Å | |
| N10 | H8 | sing | 1.01Å | 1.00Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| N13 | H14 | sing | 0.97Å | 1.00Å | |
| C20 | H15 | sing | 1.08Å | 1.08Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C26 | H18 | sing | 1.08Å | 1.08Å | |
| C28 | H19 | sing | 1.08Å | 1.08Å | |
| C29 | H20 | sing | 1.08Å | 1.08Å | |
| C32 | H21 | sing | 1.09Å | 1.10Å | |
| C32 | H22 | sing | 1.09Å | 1.10Å | |
| C32 | H23 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C32 | O31 | C27 | 117.2° | 117.0° |
| O31 | C32 | H21 | 109.5° | 109.5° |
| O31 | C32 | H22 | 109.5° | 109.5° |
| O31 | C32 | H23 | 109.5° | 109.4° |
| O31 | C27 | C26 | 125.8° | 119.9° |
| O31 | C27 | C28 | 113.7° | 119.9° |
| O30 | C22 | C23 | 123.7° | 124.9° |
| O30 | C22 | N21 | 129.6° | 124.8° |
| C27 | C26 | C23 | 116.9° | 119.8° |
| C26 | C27 | C28 | 120.6° | 120.2° |
| C27 | C26 | H18 | 121.5° | 120.1° |
| C26 | C23 | C22 | 129.3° | 132.3° |
| C26 | C23 | C24 | 122.9° | 119.5° |
| C23 | C26 | H18 | 121.6° | 120.1° |
| C27 | C28 | C29 | 122.2° | 120.1° |
| C27 | C28 | H19 | 118.9° | 119.9° |
| C23 | C22 | N21 | 106.7° | 110.3° |
| C22 | C23 | C24 | 107.8° | 108.2° |
| C22 | N21 | C18 | 123.7° | 125.6° |
| C22 | N21 | C25 | 112.7° | 108.7° |
| C23 | C24 | C29 | 120.6° | 120.4° |
| C23 | C24 | C25 | 109.6° | 106.5° |
| C18 | S19 | C20 | 90.7° | 90.7° |
| S19 | C18 | N21 | 122.4° | 125.3° |
| S19 | C18 | N17 | 115.5° | 109.5° |
| S19 | C20 | C16 | 109.5° | 109.2° |
| S19 | C20 | H15 | 125.3° | 125.4° |
| C28 | C29 | C24 | 116.8° | 120.1° |
| C29 | C28 | H19 | 118.9° | 120.0° |
| C28 | C29 | H20 | 121.6° | 119.9° |
| C18 | N21 | C25 | 123.5° | 125.7° |
| N21 | C18 | N17 | 122.1° | 125.3° |
| N21 | C25 | C24 | 103.3° | 106.3° |
| N21 | C25 | H16 | 111.0° | 110.1° |
| N21 | C25 | H17 | 111.0° | 110.0° |
| C29 | C24 | C25 | 129.8° | 133.2° |
| C24 | C29 | H20 | 121.6° | 120.0° |
| C24 | C25 | H16 | 111.0° | 110.2° |
| C24 | C25 | H17 | 111.0° | 110.0° |
| C18 | N17 | C16 | 109.4° | 115.6° |
| C20 | C16 | N17 | 115.0° | 115.0° |
| C20 | C16 | C14 | 123.9° | 122.5° |
| C16 | C20 | H15 | 125.3° | 125.4° |
| N17 | C16 | C14 | 121.1° | 122.5° |
| C16 | C14 | O15 | 122.6° | 119.9° |
| C16 | C14 | N13 | 110.6° | 120.0° |
| O15 | C14 | N13 | 126.8° | 120.0° |
| C14 | N13 | C04 | 128.8° | 120.0° |
| C14 | N13 | H14 | 115.6° | 120.0° |
| N13 | C04 | C03 | 123.1° | 120.5° |
| N13 | C04 | C05 | 117.6° | 120.5° |
| C04 | N13 | H14 | 115.6° | 120.0° |
| C03 | C04 | C05 | 118.8° | 119.0° |
| C04 | C03 | N02 | 123.9° | 120.7° |
| C04 | C03 | H2 | 118.0° | 119.7° |
| C04 | C05 | N07 | 118.6° | 120.9° |
| C04 | C05 | C06 | 118.3° | 118.2° |
| C03 | N02 | C01 | 116.6° | 122.0° |
| N02 | C03 | H2 | 118.1° | 119.6° |
| C08 | C09 | N10 | 112.6° | 109.3° |
| C09 | C08 | N07 | 108.2° | 109.4° |
| C09 | C08 | H4 | 109.8° | 109.5° |
| C09 | C08 | H5 | 109.8° | 109.5° |
| C08 | C09 | H6 | 108.7° | 109.5° |
| C08 | C09 | H7 | 108.7° | 109.5° |
| C09 | N10 | C11 | 107.9° | 110.9° |
| N10 | C09 | H6 | 108.7° | 109.5° |
| N10 | C09 | H7 | 108.7° | 109.5° |
| C09 | N10 | H8 | 109.8° | 111.0° |
| C05 | N07 | C08 | 117.8° | 111.0° |
| C05 | N07 | C12 | 111.3° | 111.0° |
| N07 | C05 | C06 | 123.0° | 120.8° |
| C08 | N07 | C12 | 113.8° | 110.9° |
| N07 | C08 | H4 | 109.8° | 109.5° |
| N07 | C08 | H5 | 109.8° | 109.5° |
| N07 | C12 | C11 | 111.5° | 109.4° |
| N07 | C12 | H12 | 109.0° | 109.5° |
| N07 | C12 | H13 | 109.0° | 109.5° |
| C05 | C06 | C01 | 118.0° | 119.1° |
| C05 | C06 | H3 | 121.0° | 120.5° |
| N02 | C01 | C06 | 124.4° | 121.0° |
| N02 | C01 | H1 | 117.8° | 119.5° |
| C12 | C11 | N10 | 113.3° | 109.3° |
| C12 | C11 | H10 | 108.5° | 109.5° |
| C12 | C11 | H11 | 108.5° | 109.5° |
| C11 | C12 | H12 | 108.9° | 109.5° |
| C11 | C12 | H13 | 109.0° | 109.5° |
| C11 | N10 | H8 | 109.8° | 111.0° |
| N10 | C11 | H10 | 108.5° | 109.5° |
| N10 | C11 | H11 | 108.5° | 109.5° |
| C06 | C01 | H1 | 117.8° | 119.5° |
| C01 | C06 | H3 | 121.0° | 120.4° |
| H4 | C08 | H5 | 109.5° | 109.5° |
| H6 | C09 | H7 | 109.5° | 109.5° |
| H10 | C11 | H11 | 109.5° | 109.5° |
| H12 | C12 | H13 | 109.5° | 109.5° |
| H16 | C25 | H17 | 109.4° | 110.2° |
| H21 | C32 | H22 | 109.4° | 109.5° |
| H21 | C32 | H23 | 109.5° | 109.4° |
| H22 | C32 | H23 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C32 | O31 | C27 | C26 | 3.6° | 179.9° |
| C32 | O31 | C27 | C28 | 176.5° | 0.0° |
| O31 | C32 | H21 | H22 | 120.0° | 120.1° |
| O31 | C32 | H21 | H23 | 120.0° | 120.0° |
| O31 | C32 | H22 | H23 | 120.0° | 120.0° |
| O31 | C27 | C26 | C28 | 179.9° | 179.9° |
| O31 | C27 | C26 | C23 | 179.9° | 180.0° |
| O31 | C27 | C28 | C29 | 178.7° | 180.0° |
| O31 | C27 | C26 | H18 | 0.2° | 0.0° |
| O31 | C27 | C28 | H19 | 1.3° | 0.0° |
| C27 | O31 | C32 | H21 | 180.0° | 60.0° |
| C27 | O31 | C32 | H22 | 60.0° | 180.0° |
| C27 | O31 | C32 | H23 | 60.0° | 60.0° |
| O30 | C22 | C23 | C26 | 1.8° | 0.1° |
| O30 | C22 | C23 | N21 | 178.8° | 179.9° |
| O30 | C22 | C23 | C24 | 178.6° | 180.0° |
| O30 | C22 | N21 | C18 | 2.3° | 0.0° |
| O30 | C22 | N21 | C25 | 178.3° | 179.7° |
| C27 | C26 | C23 | H18 | 180.0° | 180.0° |
| C27 | C26 | C23 | C22 | 178.2° | 179.9° |
| C27 | C26 | C23 | C24 | 1.4° | 0.0° |
| C26 | C27 | C28 | C29 | 1.4° | 0.1° |
| C26 | C27 | C28 | H19 | 178.6° | 179.9° |
| C23 | C26 | C27 | C28 | 0.0° | 0.1° |
| C26 | C23 | C22 | C24 | 179.6° | 179.9° |
| C26 | C23 | C22 | N21 | 179.4° | 180.0° |
| C26 | C23 | C24 | C29 | 1.3° | 0.0° |
| C26 | C23 | C24 | C25 | 179.6° | 179.7° |
| C27 | C28 | C29 | H19 | 180.0° | 179.9° |
| C27 | C28 | C29 | C24 | 1.5° | 0.1° |
| C28 | C27 | C26 | H18 | 179.9° | 179.9° |
| C27 | C28 | C29 | H20 | 178.5° | 179.9° |
| C23 | C22 | N21 | C18 | 176.4° | 180.0° |
| C23 | C22 | N21 | C25 | 0.3° | 0.3° |
| C22 | C23 | C24 | C29 | 178.3° | 180.0° |
| C22 | C23 | C24 | C25 | 0.0° | 0.2° |
| C22 | C23 | C26 | H18 | 1.9° | 0.1° |
| N21 | C22 | C23 | C24 | 0.2° | 0.0° |
| C22 | N21 | C18 | S19 | 1.0° | 179.7° |
| C22 | N21 | C18 | C25 | 175.6° | 179.7° |
| C22 | N21 | C25 | C24 | 0.3° | 0.4° |
| C22 | N21 | C18 | N17 | 176.2° | 0.3° |
| C22 | N21 | C25 | H16 | 118.7° | 118.9° |
| C22 | N21 | C25 | H17 | 119.3° | 119.4° |
| C23 | C24 | C29 | C28 | 0.1° | 0.0° |
| C23 | C24 | C25 | N21 | 0.2° | 0.4° |
| C23 | C24 | C29 | C25 | 177.9° | 179.7° |
| C23 | C24 | C25 | H16 | 118.8° | 118.9° |
| C23 | C24 | C25 | H17 | 119.2° | 119.5° |
| C24 | C23 | C26 | H18 | 178.6° | 180.0° |
| C23 | C24 | C29 | H20 | 179.9° | 180.0° |
| S19 | C18 | N21 | N17 | 177.2° | 180.0° |
| S19 | C18 | N21 | C25 | 176.6° | 0.0° |
| C18 | S19 | C20 | C16 | 0.7° | 0.3° |
| S19 | C18 | N17 | C16 | 0.9° | 0.0° |
| C18 | S19 | C20 | H15 | 179.4° | 180.0° |
| C20 | S19 | C18 | N21 | 177.3° | 179.8° |
| C20 | S19 | C18 | N17 | 0.1° | 0.2° |
| S19 | C20 | C16 | H15 | 180.0° | 179.7° |
| S19 | C20 | C16 | N17 | 1.3° | 0.4° |
| S19 | C20 | C16 | C14 | 178.6° | 179.8° |
| C28 | C29 | C24 | H20 | 180.0° | 180.0° |
| C28 | C29 | C24 | C25 | 177.8° | 179.7° |
| C18 | N21 | C25 | C24 | 176.4° | 179.8° |
| N21 | C18 | N17 | C16 | 176.5° | 180.0° |
| C18 | N21 | C25 | H16 | 57.3° | 60.8° |
| C18 | N21 | C25 | H17 | 64.6° | 60.8° |
| N21 | C25 | C24 | C29 | 177.9° | 179.9° |
| N21 | C25 | C24 | H16 | 119.0° | 119.3° |
| N21 | C25 | C24 | H17 | 119.0° | 119.1° |
| C25 | N21 | C18 | N17 | 0.6° | 179.9° |
| N21 | C25 | H16 | H17 | 122.9° | 121.6° |
| C29 | C24 | C25 | H16 | 63.1° | 60.8° |
| C29 | C24 | C25 | H17 | 58.9° | 60.8° |
| C24 | C29 | C28 | H19 | 178.5° | 179.9° |
| C24 | C25 | H16 | H17 | 122.9° | 121.5° |
| C25 | C24 | C29 | H20 | 2.2° | 0.3° |
| C18 | N17 | C16 | C20 | 1.4° | 0.3° |
| C18 | N17 | C16 | C14 | 178.8° | 179.9° |
| C20 | C16 | N17 | C14 | 177.4° | 179.8° |
| C20 | C16 | C14 | O15 | 5.5° | 0.2° |
| C20 | C16 | C14 | N13 | 174.4° | 179.7° |
| N17 | C16 | C14 | O15 | 177.4° | 180.0° |
| N17 | C16 | C14 | N13 | 2.7° | 0.0° |
| N17 | C16 | C20 | H15 | 178.7° | 179.9° |
| C16 | C14 | O15 | N13 | 179.9° | 179.9° |
| C16 | C14 | N13 | C04 | 176.0° | 174.4° |
| C16 | C14 | N13 | H14 | 4.1° | 5.6° |
| C14 | C16 | C20 | H15 | 1.4° | 0.1° |
| O15 | C14 | N13 | C04 | 4.0° | 5.5° |
| O15 | C14 | N13 | H14 | 176.0° | 174.5° |
| C14 | N13 | C04 | H14 | 180.0° | 180.0° |
| C14 | N13 | C04 | C03 | 20.6° | 24.8° |
| C14 | N13 | C04 | C05 | 167.2° | 155.3° |
| N13 | C04 | C03 | C05 | 172.2° | 179.9° |
| N13 | C04 | C03 | N02 | 174.8° | 180.0° |
| N13 | C04 | C05 | N07 | 7.8° | 0.1° |
| N13 | C04 | C05 | C06 | 175.9° | 179.8° |
| N13 | C04 | C03 | H2 | 5.2° | 0.0° |
| C04 | C03 | N02 | H2 | 180.0° | 180.0° |
| C03 | C04 | C05 | N07 | 179.6° | 180.0° |
| C03 | C04 | C05 | C06 | 3.4° | 0.3° |
| C04 | C03 | N02 | C01 | 0.6° | 0.0° |
| C03 | C04 | N13 | H14 | 159.5° | 155.2° |
| C05 | C04 | C03 | N02 | 2.7° | 0.1° |
| C04 | C05 | N07 | C06 | 176.1° | 179.7° |
| C04 | C05 | N07 | C08 | 154.4° | 120.0° |
| C04 | C05 | N07 | C12 | 71.6° | 116.2° |
| C04 | C05 | C06 | C01 | 2.2° | 0.5° |
| C05 | C04 | C03 | H2 | 177.4° | 180.0° |
| C04 | C05 | C06 | H3 | 177.8° | 179.9° |
| C05 | C04 | N13 | H14 | 12.8° | 24.7° |
| C03 | N02 | C01 | C06 | 0.7° | 0.2° |
| C03 | N02 | C01 | H1 | 179.3° | 179.9° |
| C08 | C09 | N10 | H6 | 120.5° | 120.0° |
| C08 | C09 | N10 | H7 | 120.5° | 119.9° |
| C09 | C08 | N07 | C05 | 173.5° | 176.8° |
| C09 | C08 | N07 | H4 | 119.8° | 120.0° |
| C09 | C08 | N07 | H5 | 119.8° | 120.0° |
| C09 | C08 | N07 | C12 | 53.7° | 59.3° |
| C08 | C09 | N10 | C11 | 61.4° | 59.4° |
| C09 | C08 | H4 | H5 | 120.6° | 120.0° |
| C08 | C09 | H6 | H7 | 118.6° | 120.1° |
| C08 | C09 | N10 | H8 | 58.3° | 64.6° |
| N10 | C09 | C08 | N07 | 61.1° | 58.4° |
| C09 | N10 | C11 | C12 | 55.3° | 59.4° |
| C09 | N10 | C11 | H8 | 119.7° | 123.9° |
| N10 | C09 | C08 | H4 | 179.1° | 61.6° |
| N10 | C09 | C08 | H5 | 58.6° | 178.4° |
| N10 | C09 | H6 | H7 | 118.6° | 120.1° |
| C09 | N10 | C11 | H10 | 65.2° | 179.3° |
| C09 | N10 | C11 | H11 | 175.9° | 60.6° |
| C05 | N07 | C08 | C12 | 132.8° | 123.9° |
| C05 | N07 | C12 | C11 | 174.6° | 176.8° |
| N07 | C05 | C06 | C01 | 178.3° | 179.8° |
| N07 | C05 | C06 | H3 | 1.7° | 0.2° |
| C05 | N07 | C08 | H4 | 53.6° | 63.2° |
| C05 | N07 | C08 | H5 | 66.8° | 56.8° |
| C05 | N07 | C12 | H12 | 54.3° | 56.8° |
| C05 | N07 | C12 | H13 | 65.1° | 63.3° |
| C08 | N07 | C05 | C06 | 29.5° | 60.3° |
| C08 | N07 | C12 | C11 | 49.5° | 59.3° |
| N07 | C08 | H4 | H5 | 120.6° | 120.0° |
| N07 | C08 | C09 | H6 | 178.4° | 178.4° |
| N07 | C08 | C09 | H7 | 59.3° | 61.5° |
| C08 | N07 | C12 | H12 | 169.8° | 179.3° |
| C08 | N07 | C12 | H13 | 70.8° | 60.7° |
| C12 | N07 | C05 | C06 | 104.5° | 63.5° |
| N07 | C12 | C11 | H12 | 120.3° | 119.9° |
| N07 | C12 | C11 | H13 | 120.3° | 120.0° |
| N07 | C12 | C11 | N10 | 49.7° | 58.4° |
| C12 | N07 | C08 | H4 | 173.5° | 60.7° |
| C12 | N07 | C08 | H5 | 66.1° | 179.3° |
| N07 | C12 | C11 | H10 | 70.9° | 178.3° |
| N07 | C12 | C11 | H11 | 170.3° | 61.5° |
| N07 | C12 | H12 | H13 | 119.1° | 120.0° |
| C05 | C06 | C01 | N02 | 0.1° | 0.5° |
| C05 | C06 | C01 | H3 | 180.0° | 179.5° |
| C05 | C06 | C01 | H1 | 179.9° | 179.7° |
| N02 | C01 | C06 | H1 | 180.0° | 179.8° |
| C01 | N02 | C03 | H2 | 179.4° | 180.0° |
| N02 | C01 | C06 | H3 | 179.9° | 180.0° |
| C12 | C11 | N10 | H10 | 120.6° | 119.9° |
| C12 | C11 | N10 | H11 | 120.6° | 120.0° |
| C12 | C11 | N10 | H8 | 64.4° | 64.6° |
| C12 | C11 | H10 | H11 | 118.3° | 120.1° |
| C11 | C12 | H12 | H13 | 119.1° | 120.1° |
| C11 | N10 | C09 | H6 | 178.1° | 179.3° |
| C11 | N10 | C09 | H7 | 59.0° | 60.6° |
| N10 | C11 | H10 | H11 | 118.3° | 120.0° |
| N10 | C11 | C12 | H12 | 170.0° | 178.4° |
| N10 | C11 | C12 | H13 | 70.6° | 61.5° |
| H1 | C01 | C06 | H3 | 0.1° | 0.1° |
| H4 | C08 | C09 | H6 | 58.6° | 58.4° |
| H4 | C08 | C09 | H7 | 60.5° | 178.5° |
| H5 | C08 | C09 | H6 | 61.8° | 61.7° |
| H5 | C08 | C09 | H7 | 179.1° | 58.4° |
| H6 | C09 | N10 | H8 | 62.2° | 55.4° |
| H7 | C09 | N10 | H8 | 178.8° | 175.5° |
| H8 | N10 | C11 | H10 | 175.0° | 55.4° |
| H8 | N10 | C11 | H11 | 56.1° | 175.5° |
| H10 | C11 | C12 | H12 | 49.4° | 61.7° |
| H10 | C11 | C12 | H13 | 168.8° | 58.4° |
| H11 | C11 | C12 | H12 | 69.5° | 58.4° |
| H11 | C11 | C12 | H13 | 50.0° | 178.5° |
| H19 | C28 | C29 | H20 | 1.5° | 0.0° |
| H21 | C32 | H22 | H23 | 120.0° | 119.9° |
