1SG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | C23 | doub | 1.39Å | 1.38Å | Aromatic |
| C24 | C25 | sing | 1.39Å | 1.38Å | Aromatic |
| C23 | C22 | sing | 1.39Å | 1.38Å | Aromatic |
| C25 | N26 | doub | 1.31Å | 1.34Å | Aromatic |
| C22 | C21 | doub | 1.39Å | 1.38Å | Aromatic |
| C21 | N26 | sing | 1.33Å | 1.34Å | Aromatic |
| C21 | C19 | sing | 1.48Å | 1.48Å | |
| C19 | N18 | sing | 1.35Å | 1.39Å | |
| C19 | O20 | doub | 1.22Å | 1.23Å | |
| N18 | C15 | sing | 1.40Å | 1.41Å | |
| C16 | C15 | doub | 1.39Å | 1.38Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.38Å | Aromatic |
| C17 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| O10 | C9 | doub | 1.22Å | 1.22Å | |
| C14 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.38Å | Aromatic |
| C12 | N11 | sing | 1.40Å | 1.41Å | |
| N29 | C28 | sing | 1.37Å | 1.36Å | |
| N29 | C30 | sing | 1.34Å | 1.37Å | |
| O31 | C30 | doub | 1.22Å | 1.22Å | |
| C9 | N11 | sing | 1.35Å | 1.38Å | |
| C9 | C7 | sing | 1.48Å | 1.48Å | |
| C28 | C27 | doub | 1.36Å | 1.34Å | |
| C30 | N32 | sing | 1.34Å | 1.39Å | |
| C6 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.38Å | Aromatic |
| C7 | C8 | sing | 1.40Å | 1.39Å | Aromatic |
| C27 | C5 | sing | 1.48Å | 1.46Å | |
| C27 | C33 | sing | 1.47Å | 1.49Å | |
| N32 | C33 | sing | 1.35Å | 1.38Å | |
| C5 | C4 | doub | 1.39Å | 1.38Å | Aromatic |
| C33 | O34 | doub | 1.22Å | 1.22Å | |
| C8 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.38Å | Aromatic |
| C3 | O2 | sing | 1.36Å | 1.40Å | |
| O2 | C1 | sing | 1.43Å | 1.41Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H6 | sing | 1.08Å | 1.08Å | |
| N11 | H7 | sing | 0.97Å | 1.00Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| C16 | H10 | sing | 1.08Å | 1.08Å | |
| C17 | H11 | sing | 1.08Å | 1.08Å | |
| N18 | H12 | sing | 0.97Å | 1.00Å | |
| C22 | H13 | sing | 1.08Å | 1.08Å | |
| C23 | H14 | sing | 1.08Å | 1.08Å | |
| C24 | H15 | sing | 1.08Å | 1.08Å | |
| C25 | H16 | sing | 1.08Å | 1.08Å | |
| C28 | H17 | sing | 1.08Å | 1.08Å | |
| N29 | H18 | sing | 0.97Å | 1.00Å | |
| N32 | H19 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C24 | C25 | 118.4° | 119.4° |
| C24 | C23 | C22 | 119.6° | 118.5° |
| C24 | C23 | H14 | 120.2° | 120.7° |
| C23 | C24 | H15 | 120.8° | 120.3° |
| C24 | C25 | N26 | 123.8° | 120.9° |
| C25 | C24 | H15 | 120.8° | 120.3° |
| C24 | C25 | H16 | 118.1° | 119.6° |
| C23 | C22 | C21 | 117.5° | 119.1° |
| C23 | C22 | H13 | 121.2° | 120.5° |
| C22 | C23 | H14 | 120.2° | 120.8° |
| C25 | N26 | C21 | 116.1° | 121.7° |
| N26 | C25 | H16 | 118.1° | 119.6° |
| C22 | C21 | N26 | 124.6° | 120.5° |
| C22 | C21 | C19 | 119.3° | 119.7° |
| C21 | C22 | H13 | 121.2° | 120.4° |
| N26 | C21 | C19 | 116.1° | 119.7° |
| C21 | C19 | N18 | 112.9° | 120.0° |
| C21 | C19 | O20 | 119.5° | 120.0° |
| N18 | C19 | O20 | 127.6° | 120.0° |
| C19 | N18 | C15 | 127.0° | 120.0° |
| C19 | N18 | H12 | 116.5° | 120.0° |
| N18 | C15 | C16 | 117.8° | 120.0° |
| N18 | C15 | C14 | 122.6° | 120.0° |
| C15 | N18 | H12 | 116.5° | 120.0° |
| C15 | C16 | C17 | 119.6° | 120.0° |
| C16 | C15 | C14 | 119.6° | 120.0° |
| C15 | C16 | H10 | 120.2° | 120.0° |
| C16 | C17 | C12 | 120.8° | 120.0° |
| C17 | C16 | H10 | 120.2° | 120.0° |
| C16 | C17 | H11 | 119.6° | 120.0° |
| C15 | C14 | C13 | 120.7° | 120.0° |
| C15 | C14 | H9 | 119.7° | 120.0° |
| C17 | C12 | C13 | 119.3° | 120.0° |
| C17 | C12 | N11 | 122.6° | 120.0° |
| C12 | C17 | H11 | 119.6° | 120.0° |
| O10 | C9 | N11 | 125.6° | 120.0° |
| O10 | C9 | C7 | 117.4° | 120.0° |
| C14 | C13 | C12 | 120.0° | 120.0° |
| C14 | C13 | H8 | 120.0° | 120.0° |
| C13 | C14 | H9 | 119.6° | 120.0° |
| C13 | C12 | N11 | 118.1° | 120.0° |
| C12 | C13 | H8 | 120.0° | 120.0° |
| C12 | N11 | C9 | 124.9° | 120.0° |
| C12 | N11 | H7 | 117.6° | 120.0° |
| C28 | N29 | C30 | 122.1° | 121.3° |
| N29 | C28 | C27 | 124.5° | 119.5° |
| N29 | C28 | H17 | 117.7° | 120.3° |
| C28 | N29 | H18 | 118.9° | 119.3° |
| N29 | C30 | O31 | 122.0° | 119.0° |
| N29 | C30 | N32 | 114.6° | 121.9° |
| C30 | N29 | H18 | 118.9° | 119.4° |
| O31 | C30 | N32 | 123.4° | 119.1° |
| N11 | C9 | C7 | 117.0° | 120.0° |
| C9 | N11 | H7 | 117.5° | 120.0° |
| C9 | C7 | C6 | 116.8° | 120.0° |
| C9 | C7 | C8 | 122.5° | 120.0° |
| C28 | C27 | C5 | 118.6° | 120.9° |
| C28 | C27 | C33 | 116.8° | 118.3° |
| C27 | C28 | H17 | 117.8° | 120.2° |
| C30 | N32 | C33 | 127.0° | 120.3° |
| C30 | N32 | H19 | 116.5° | 119.8° |
| C7 | C6 | C5 | 120.2° | 119.8° |
| C6 | C7 | C8 | 120.7° | 119.9° |
| C7 | C6 | H5 | 119.9° | 120.1° |
| C6 | C5 | C27 | 121.9° | 120.0° |
| C6 | C5 | C4 | 119.0° | 119.9° |
| C5 | C6 | H5 | 119.9° | 120.1° |
| C7 | C8 | C3 | 118.8° | 120.0° |
| C7 | C8 | H6 | 120.6° | 120.0° |
| C5 | C27 | C33 | 124.3° | 120.9° |
| C27 | C5 | C4 | 118.9° | 120.1° |
| C27 | C33 | N32 | 114.8° | 118.7° |
| C27 | C33 | O34 | 122.0° | 120.6° |
| N32 | C33 | O34 | 123.2° | 120.7° |
| C33 | N32 | H19 | 116.5° | 119.9° |
| C5 | C4 | C3 | 121.3° | 120.2° |
| C5 | C4 | H4 | 119.4° | 119.9° |
| C8 | C3 | C4 | 120.0° | 120.2° |
| C8 | C3 | O2 | 125.7° | 119.9° |
| C3 | C8 | H6 | 120.6° | 120.0° |
| C4 | C3 | O2 | 114.3° | 119.9° |
| C3 | C4 | H4 | 119.3° | 120.0° |
| C3 | O2 | C1 | 112.3° | 116.9° |
| O2 | C1 | H1 | 109.5° | 109.4° |
| O2 | C1 | H2 | 109.5° | 109.5° |
| O2 | C1 | H3 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H1 | C1 | H3 | 109.4° | 109.4° |
| H2 | C1 | H3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C24 | C25 | H15 | 180.0° | 180.0° |
| C24 | C23 | C22 | H14 | 180.0° | 180.0° |
| C23 | C24 | C25 | N26 | 0.1° | 0.0° |
| C24 | C23 | C22 | C21 | 0.1° | 0.0° |
| C24 | C23 | C22 | H13 | 179.9° | 180.0° |
| C23 | C24 | C25 | H16 | 179.9° | 180.0° |
| C25 | C24 | C23 | C22 | 0.1° | 0.0° |
| C24 | C25 | N26 | H16 | 180.0° | 180.0° |
| C24 | C25 | N26 | C21 | 0.2° | 0.1° |
| C25 | C24 | C23 | H14 | 180.0° | 180.0° |
| C23 | C22 | C21 | H13 | 180.0° | 179.9° |
| C23 | C22 | C21 | N26 | 0.2° | 0.1° |
| C23 | C22 | C21 | C19 | 179.8° | 179.7° |
| C22 | C23 | C24 | H15 | 179.9° | 180.0° |
| C25 | N26 | C21 | C22 | 0.2° | 0.1° |
| C25 | N26 | C21 | C19 | 179.8° | 179.8° |
| N26 | C25 | C24 | H15 | 179.9° | 180.0° |
| C22 | C21 | N26 | C19 | 179.6° | 179.7° |
| C22 | C21 | C19 | N18 | 21.9° | 179.7° |
| C22 | C21 | C19 | O20 | 158.4° | 0.3° |
| C21 | C22 | C23 | H14 | 179.9° | 180.0° |
| N26 | C21 | C19 | N18 | 158.4° | 0.0° |
| N26 | C21 | C19 | O20 | 21.2° | 179.9° |
| N26 | C21 | C22 | H13 | 179.8° | 180.0° |
| C21 | N26 | C25 | H16 | 179.8° | 179.9° |
| C21 | C19 | N18 | O20 | 179.6° | 179.9° |
| C21 | C19 | N18 | C15 | 165.6° | 175.4° |
| C21 | C19 | N18 | H12 | 14.4° | 4.6° |
| C19 | C21 | C22 | H13 | 0.2° | 0.3° |
| C19 | N18 | C15 | H12 | 180.0° | 180.0° |
| C19 | N18 | C15 | C16 | 149.2° | 144.9° |
| C19 | N18 | C15 | C14 | 33.5° | 35.1° |
| O20 | C19 | N18 | C15 | 14.8° | 4.6° |
| O20 | C19 | N18 | H12 | 165.2° | 175.4° |
| N18 | C15 | C16 | C14 | 177.3° | 180.0° |
| N18 | C15 | C16 | C17 | 178.4° | 179.8° |
| N18 | C15 | C14 | C13 | 179.0° | 180.0° |
| N18 | C15 | C14 | H9 | 1.0° | 0.0° |
| N18 | C15 | C16 | H10 | 1.6° | 0.0° |
| C15 | C16 | C17 | H10 | 180.0° | 179.8° |
| C15 | C16 | C17 | C12 | 0.4° | 0.5° |
| C16 | C15 | C14 | C13 | 1.8° | 0.0° |
| C16 | C15 | C14 | H9 | 178.2° | 180.0° |
| C15 | C16 | C17 | H11 | 179.6° | 180.0° |
| C16 | C15 | N18 | H12 | 30.8° | 35.1° |
| C17 | C16 | C15 | C14 | 1.1° | 0.2° |
| C16 | C17 | C12 | H11 | 180.0° | 179.5° |
| C16 | C17 | C12 | C13 | 1.4° | 0.6° |
| C16 | C17 | C12 | N11 | 179.9° | 179.8° |
| C15 | C14 | C13 | H9 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 0.8° | 0.1° |
| C15 | C14 | C13 | H8 | 179.2° | 180.0° |
| C14 | C15 | C16 | H10 | 178.9° | 180.0° |
| C14 | C15 | N18 | H12 | 146.5° | 144.9° |
| C17 | C12 | C13 | C14 | 0.7° | 0.3° |
| C17 | C12 | C13 | N11 | 178.6° | 179.7° |
| C17 | C12 | N11 | C9 | 46.1° | 145.2° |
| C17 | C12 | N11 | H7 | 133.9° | 34.7° |
| C17 | C12 | C13 | H8 | 179.2° | 179.8° |
| C12 | C17 | C16 | H10 | 179.5° | 179.7° |
| O10 | C9 | N11 | C12 | 1.1° | 4.7° |
| O10 | C9 | N11 | C7 | 179.5° | 179.9° |
| O10 | C9 | C7 | C6 | 14.7° | 0.0° |
| O10 | C9 | C7 | C8 | 164.8° | 179.7° |
| O10 | C9 | N11 | H7 | 178.9° | 175.4° |
| C14 | C13 | C12 | H8 | 180.0° | 179.9° |
| C14 | C13 | C12 | N11 | 179.3° | 180.0° |
| C13 | C12 | N11 | C9 | 135.4° | 35.2° |
| C13 | C12 | N11 | H7 | 44.6° | 144.9° |
| C12 | C13 | C14 | H9 | 179.1° | 179.9° |
| C13 | C12 | C17 | H11 | 178.6° | 179.9° |
| C12 | N11 | C9 | H7 | 180.0° | 179.9° |
| C12 | N11 | C9 | C7 | 178.3° | 175.4° |
| N11 | C12 | C13 | H8 | 0.7° | 0.1° |
| N11 | C12 | C17 | H11 | 0.1° | 0.3° |
| C28 | N29 | C30 | H18 | 180.0° | 180.0° |
| C28 | N29 | C30 | O31 | 178.0° | 180.0° |
| N29 | C28 | C27 | H17 | 180.0° | 180.0° |
| C28 | N29 | C30 | N32 | 1.7° | 0.0° |
| N29 | C28 | C27 | C5 | 176.0° | 180.0° |
| N29 | C28 | C27 | C33 | 2.1° | 0.2° |
| N29 | C30 | O31 | N32 | 179.7° | 180.0° |
| C30 | N29 | C28 | C27 | 3.3° | 0.0° |
| N29 | C30 | N32 | C33 | 1.1° | 0.3° |
| C30 | N29 | C28 | H17 | 176.7° | 180.0° |
| N29 | C30 | N32 | H19 | 178.9° | 179.9° |
| O31 | C30 | N32 | C33 | 179.2° | 179.7° |
| O31 | C30 | N29 | H18 | 2.0° | 0.0° |
| O31 | C30 | N32 | H19 | 0.8° | 0.1° |
| N11 | C9 | C7 | C6 | 165.7° | 179.9° |
| N11 | C9 | C7 | C8 | 14.7° | 0.2° |
| C9 | C7 | C6 | C8 | 179.5° | 179.7° |
| C9 | C7 | C6 | C5 | 178.4° | 179.9° |
| C9 | C7 | C8 | C3 | 177.7° | 179.7° |
| C9 | C7 | C6 | H5 | 1.6° | 0.3° |
| C9 | C7 | C8 | H6 | 2.3° | 0.2° |
| C7 | C9 | N11 | H7 | 1.6° | 4.5° |
| C28 | C27 | C5 | C6 | 38.1° | 64.7° |
| C28 | C27 | C5 | C33 | 173.4° | 179.8° |
| C28 | C27 | C33 | N32 | 0.5° | 0.5° |
| C28 | C27 | C5 | C4 | 137.5° | 115.2° |
| C28 | C27 | C33 | O34 | 179.6° | 179.7° |
| C27 | C28 | N29 | H18 | 176.6° | 180.0° |
| C30 | N32 | C33 | C27 | 2.1° | 0.5° |
| C30 | N32 | C33 | H19 | 180.0° | 179.8° |
| C30 | N32 | C33 | O34 | 178.0° | 179.7° |
| N32 | C30 | N29 | H18 | 178.3° | 180.0° |
| C7 | C6 | C5 | H5 | 180.0° | 179.6° |
| C7 | C6 | C5 | C27 | 176.4° | 180.0° |
| C7 | C6 | C5 | C4 | 0.8° | 0.1° |
| C6 | C7 | C8 | C3 | 1.8° | 0.6° |
| C6 | C7 | C8 | H6 | 178.2° | 179.9° |
| C5 | C6 | C7 | C8 | 1.2° | 0.3° |
| C6 | C5 | C27 | C4 | 175.6° | 180.0° |
| C6 | C5 | C27 | C33 | 148.5° | 115.1° |
| C6 | C5 | C4 | C3 | 2.2° | 0.0° |
| C6 | C5 | C4 | H4 | 177.8° | 180.0° |
| C7 | C8 | C3 | H6 | 180.0° | 179.5° |
| C7 | C8 | C3 | C4 | 0.4° | 0.5° |
| C7 | C8 | C3 | O2 | 179.0° | 179.7° |
| C8 | C7 | C6 | H5 | 178.8° | 180.0° |
| C5 | C27 | C33 | N32 | 173.0° | 179.7° |
| C5 | C27 | C33 | O34 | 6.9° | 0.1° |
| C27 | C5 | C4 | C3 | 177.9° | 180.0° |
| C27 | C5 | C4 | H4 | 2.1° | 0.0° |
| C27 | C5 | C6 | H5 | 3.6° | 0.3° |
| C5 | C27 | C28 | H17 | 4.0° | 0.0° |
| C27 | C33 | N32 | O34 | 179.9° | 179.8° |
| C33 | C27 | C5 | C4 | 36.0° | 65.0° |
| C33 | C27 | C28 | H17 | 177.9° | 179.8° |
| C27 | C33 | N32 | H19 | 177.9° | 179.7° |
| C5 | C4 | C3 | C8 | 1.6° | 0.3° |
| C5 | C4 | C3 | H4 | 180.0° | 180.0° |
| C5 | C4 | C3 | O2 | 177.2° | 180.0° |
| C4 | C5 | C6 | H5 | 179.2° | 179.7° |
| O34 | C33 | N32 | H19 | 2.1° | 0.1° |
| C8 | C3 | C4 | O2 | 178.8° | 179.7° |
| C8 | C3 | O2 | C1 | 35.3° | 0.3° |
| C8 | C3 | C4 | H4 | 178.4° | 179.7° |
| C4 | C3 | O2 | C1 | 146.1° | 180.0° |
| C4 | C3 | C8 | H6 | 179.6° | 180.0° |
| C3 | O2 | C1 | H1 | 180.0° | 180.0° |
| C3 | O2 | C1 | H2 | 60.0° | 60.0° |
| C3 | O2 | C1 | H3 | 60.0° | 60.1° |
| O2 | C3 | C4 | H4 | 2.9° | 0.0° |
| O2 | C3 | C8 | H6 | 1.0° | 0.2° |
| O2 | C1 | H1 | H2 | 120.0° | 120.0° |
| O2 | C1 | H1 | H3 | 120.0° | 120.0° |
| O2 | C1 | H2 | H3 | 120.0° | 120.1° |
| H1 | C1 | H2 | H3 | 119.9° | 120.0° |
| H8 | C13 | C14 | H9 | 0.8° | 0.0° |
| H10 | C16 | C17 | H11 | 0.5° | 0.2° |
| H13 | C22 | C23 | H14 | 0.1° | 0.1° |
| H14 | C23 | C24 | H15 | 0.1° | 0.0° |
| H15 | C24 | C25 | H16 | 0.1° | 0.0° |
| H17 | C28 | N29 | H18 | 3.4° | 0.0° |
