O6J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N14 | C13 | sing | 1.38Å | 1.36Å | Aromatic |
| N14 | C15 | sing | 1.38Å | 1.32Å | Aromatic |
| N17 | C16 | trip | 1.14Å | 1.13Å | |
| C12 | C13 | doub | 1.39Å | 1.42Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.43Å | 1.53Å | |
| C13 | C20 | sing | 1.41Å | 1.37Å | Aromatic |
| C15 | C18 | doub | 1.36Å | 1.39Å | Aromatic |
| C11 | C10 | doub | 1.40Å | 1.40Å | Aromatic |
| C20 | C18 | sing | 1.42Å | 1.42Å | Aromatic |
| C20 | C21 | doub | 1.40Å | 1.42Å | Aromatic |
| C18 | C19 | sing | 1.51Å | 1.53Å | |
| C10 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | N09 | sing | 1.40Å | 1.45Å | |
| N09 | S06 | sing | 1.66Å | 1.71Å | |
| S06 | O07 | doub | 1.42Å | 1.46Å | |
| S06 | C05 | sing | 1.81Å | 1.82Å | |
| S06 | O08 | doub | 1.42Å | 1.46Å | |
| C05 | C04 | sing | 1.53Å | 1.53Å | |
| C04 | C03 | sing | 1.53Å | 1.53Å | |
| C03 | C02 | sing | 1.53Å | 1.53Å | |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C03 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C04 | H9 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.09Å | 1.10Å | |
| C05 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.08Å | 1.08Å | |
| C12 | H13 | sing | 1.08Å | 1.08Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.08Å | 1.08Å | |
| N09 | H18 | sing | 0.97Å | 1.00Å | |
| N14 | H19 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | N14 | C15 | 110.2° | 108.7° |
| N14 | C13 | C12 | 131.9° | 133.0° |
| N14 | C13 | C20 | 108.3° | 107.3° |
| C13 | N14 | H19 | 124.9° | 125.6° |
| N14 | C15 | C16 | 125.9° | 125.4° |
| N14 | C15 | C18 | 108.6° | 109.2° |
| C15 | N14 | H19 | 124.9° | 125.7° |
| N17 | C16 | C15 | 179.9° | 179.9° |
| C13 | C12 | C11 | 119.9° | 120.1° |
| C12 | C13 | C20 | 119.8° | 119.7° |
| C13 | C12 | H13 | 120.0° | 120.0° |
| C12 | C11 | C10 | 120.2° | 120.6° |
| C12 | C11 | H12 | 119.9° | 119.8° |
| C11 | C12 | H13 | 120.0° | 120.0° |
| C16 | C15 | C18 | 125.5° | 125.4° |
| C13 | C20 | C18 | 106.6° | 107.0° |
| C13 | C20 | C21 | 120.1° | 119.7° |
| C15 | C18 | C20 | 106.3° | 107.8° |
| C15 | C18 | C19 | 126.9° | 126.2° |
| C11 | C10 | C21 | 119.7° | 120.3° |
| C11 | C10 | N09 | 119.6° | 119.8° |
| C10 | C11 | H12 | 119.9° | 119.7° |
| C18 | C20 | C21 | 133.3° | 133.3° |
| C20 | C18 | C19 | 126.8° | 126.1° |
| C20 | C21 | C10 | 120.1° | 119.7° |
| C20 | C21 | H17 | 119.9° | 120.1° |
| C18 | C19 | H14 | 109.5° | 109.5° |
| C18 | C19 | H15 | 109.5° | 109.5° |
| C18 | C19 | H16 | 109.4° | 109.4° |
| C21 | C10 | N09 | 120.7° | 119.9° |
| C10 | C21 | H17 | 119.9° | 120.2° |
| C10 | N09 | S06 | 121.6° | 120.0° |
| C10 | N09 | H18 | 106.4° | 120.1° |
| N09 | S06 | O07 | 111.2° | 104.3° |
| N09 | S06 | C05 | 111.0° | 104.5° |
| N09 | S06 | O08 | 110.9° | 104.3° |
| S06 | N09 | H18 | 106.3° | 119.9° |
| O07 | S06 | C05 | 111.2° | 110.5° |
| O07 | S06 | O08 | 101.2° | 121.0° |
| C05 | S06 | O08 | 111.0° | 110.5° |
| S06 | C05 | C04 | 110.7° | 109.5° |
| S06 | C05 | H10 | 109.2° | 109.5° |
| S06 | C05 | H11 | 109.2° | 109.4° |
| C05 | C04 | C03 | 111.2° | 109.5° |
| C05 | C04 | H8 | 109.0° | 109.4° |
| C05 | C04 | H9 | 109.1° | 109.5° |
| C04 | C05 | H10 | 109.2° | 109.5° |
| C04 | C05 | H11 | 109.2° | 109.5° |
| C04 | C03 | C02 | 112.0° | 109.5° |
| C04 | C03 | H6 | 108.8° | 109.5° |
| C04 | C03 | H7 | 108.9° | 109.5° |
| C03 | C04 | H8 | 109.1° | 109.5° |
| C03 | C04 | H9 | 109.0° | 109.5° |
| C03 | C02 | C01 | 112.1° | 109.5° |
| C03 | C02 | H4 | 108.8° | 109.5° |
| C03 | C02 | H5 | 108.8° | 109.5° |
| C02 | C03 | H6 | 108.8° | 109.5° |
| C02 | C03 | H7 | 108.8° | 109.5° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.4° |
| C01 | C02 | H4 | 108.8° | 109.4° |
| C01 | C02 | H5 | 108.8° | 109.5° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.4° |
| H2 | C01 | H3 | 109.4° | 109.4° |
| H4 | C02 | H5 | 109.5° | 109.5° |
| H6 | C03 | H7 | 109.4° | 109.5° |
| H8 | C04 | H9 | 109.5° | 109.5° |
| H10 | C05 | H11 | 109.5° | 109.4° |
| H14 | C19 | H15 | 109.5° | 109.5° |
| H14 | C19 | H16 | 109.5° | 109.5° |
| H15 | C19 | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | N14 | C15 | H19 | 180.0° | 179.9° |
| N14 | C13 | C12 | C20 | 179.9° | 180.0° |
| N14 | C13 | C12 | C11 | 180.0° | 180.0° |
| C13 | N14 | C15 | C16 | 180.0° | 179.9° |
| C13 | N14 | C15 | C18 | 0.0° | 0.0° |
| N14 | C13 | C20 | C18 | 0.1° | 0.0° |
| N14 | C13 | C20 | C21 | 179.8° | 180.0° |
| N14 | C13 | C12 | H13 | 0.0° | 0.0° |
| N14 | C15 | C16 | N17 | 154.2° | 166.7° |
| C15 | N14 | C13 | C12 | 180.0° | 180.0° |
| N14 | C15 | C16 | C18 | 179.9° | 180.0° |
| C15 | N14 | C13 | C20 | 0.0° | 0.0° |
| N14 | C15 | C18 | C20 | 0.0° | 0.0° |
| N14 | C15 | C18 | C19 | 180.0° | 180.0° |
| N17 | C16 | C15 | C18 | 25.8° | 13.4° |
| C13 | C12 | C11 | H13 | 180.0° | 179.9° |
| C13 | C12 | C11 | C10 | 0.1° | 0.1° |
| C12 | C13 | C20 | C18 | 180.0° | 180.0° |
| C12 | C13 | C20 | C21 | 0.2° | 0.0° |
| C13 | C12 | C11 | H12 | 179.9° | 180.0° |
| C12 | C13 | N14 | H19 | 0.0° | 0.1° |
| C11 | C12 | C13 | C20 | 0.0° | 0.1° |
| C12 | C11 | C10 | H12 | 180.0° | 179.9° |
| C12 | C11 | C10 | C21 | 0.0° | 0.0° |
| C12 | C11 | C10 | N09 | 179.9° | 179.8° |
| C16 | C15 | C18 | C20 | 180.0° | 180.0° |
| C16 | C15 | C18 | C19 | 0.0° | 0.0° |
| C16 | C15 | N14 | H19 | 0.0° | 0.0° |
| C13 | C20 | C18 | C15 | 0.1° | 0.0° |
| C13 | C20 | C18 | C21 | 179.8° | 179.9° |
| C13 | C20 | C18 | C19 | 179.9° | 180.0° |
| C13 | C20 | C21 | C10 | 0.3° | 0.0° |
| C20 | C13 | C12 | H13 | 180.0° | 180.0° |
| C13 | C20 | C21 | H17 | 179.7° | 179.7° |
| C20 | C13 | N14 | H19 | 180.0° | 180.0° |
| C15 | C18 | C20 | C19 | 180.0° | 180.0° |
| C15 | C18 | C20 | C21 | 179.8° | 180.0° |
| C15 | C18 | C19 | H14 | 90.0° | 90.0° |
| C15 | C18 | C19 | H15 | 150.0° | 150.0° |
| C15 | C18 | C19 | H16 | 30.0° | 30.0° |
| C18 | C15 | N14 | H19 | 180.0° | 180.0° |
| C11 | C10 | C21 | C20 | 0.2° | 0.0° |
| C11 | C10 | C21 | N09 | 179.9° | 179.8° |
| C11 | C10 | N09 | S06 | 158.9° | 46.0° |
| C10 | C11 | C12 | H13 | 179.9° | 180.0° |
| C11 | C10 | C21 | H17 | 179.8° | 179.7° |
| C11 | C10 | N09 | H18 | 79.4° | 134.1° |
| C18 | C20 | C21 | C10 | 180.0° | 179.9° |
| C20 | C18 | C19 | H14 | 90.0° | 90.0° |
| C20 | C18 | C19 | H15 | 30.0° | 30.0° |
| C20 | C18 | C19 | H16 | 150.0° | 150.0° |
| C18 | C20 | C21 | H17 | 0.0° | 0.3° |
| C21 | C20 | C18 | C19 | 0.2° | 0.0° |
| C20 | C21 | C10 | H17 | 180.0° | 179.7° |
| C20 | C21 | C10 | N09 | 179.7° | 179.8° |
| C18 | C19 | H14 | H15 | 120.0° | 120.0° |
| C18 | C19 | H14 | H16 | 120.0° | 119.9° |
| C18 | C19 | H15 | H16 | 120.0° | 120.0° |
| C21 | C10 | N09 | S06 | 21.0° | 133.8° |
| C21 | C10 | C11 | H12 | 180.0° | 180.0° |
| C21 | C10 | N09 | H18 | 100.7° | 46.1° |
| C10 | N09 | S06 | H18 | 121.7° | 179.9° |
| C10 | N09 | S06 | O07 | 74.2° | 177.2° |
| C10 | N09 | S06 | C05 | 50.2° | 61.1° |
| C10 | N09 | S06 | O08 | 174.0° | 54.9° |
| N09 | C10 | C11 | H12 | 0.1° | 0.3° |
| N09 | C10 | C21 | H17 | 0.3° | 0.1° |
| N09 | S06 | O07 | C05 | 124.2° | 111.8° |
| N09 | S06 | O07 | O08 | 117.8° | 116.8° |
| N09 | S06 | C05 | O08 | 123.8° | 111.6° |
| N09 | S06 | C05 | C04 | 156.2° | 175.0° |
| N09 | S06 | C05 | H10 | 36.0° | 64.9° |
| N09 | S06 | C05 | H11 | 83.6° | 55.0° |
| O07 | S06 | C05 | O08 | 111.9° | 136.7° |
| O07 | S06 | C05 | C04 | 79.5° | 63.4° |
| O07 | S06 | C05 | H10 | 160.3° | 176.6° |
| O07 | S06 | C05 | H11 | 40.7° | 56.7° |
| O07 | S06 | N09 | H18 | 47.5° | 2.7° |
| S06 | C05 | C04 | H10 | 120.2° | 120.0° |
| S06 | C05 | C04 | H11 | 120.2° | 120.0° |
| S06 | C05 | C04 | C03 | 174.7° | 180.0° |
| S06 | C05 | C04 | H8 | 54.5° | 60.0° |
| S06 | C05 | C04 | H9 | 65.0° | 60.0° |
| S06 | C05 | H10 | H11 | 119.4° | 119.9° |
| C05 | S06 | N09 | H18 | 171.8° | 118.8° |
| O08 | S06 | C05 | C04 | 32.4° | 73.3° |
| O08 | S06 | C05 | H10 | 87.8° | 46.7° |
| O08 | S06 | C05 | H11 | 152.5° | 166.6° |
| O08 | S06 | N09 | H18 | 64.3° | 125.1° |
| C05 | C04 | C03 | H8 | 120.2° | 119.9° |
| C05 | C04 | C03 | H9 | 120.3° | 120.0° |
| C05 | C04 | C03 | C02 | 120.0° | 180.0° |
| C05 | C04 | C03 | H6 | 0.4° | 60.0° |
| C05 | C04 | C03 | H7 | 119.6° | 60.0° |
| C05 | C04 | H8 | H9 | 119.2° | 120.0° |
| C04 | C05 | H10 | H11 | 119.4° | 120.0° |
| C04 | C03 | C02 | H6 | 120.4° | 120.0° |
| C04 | C03 | C02 | H7 | 120.4° | 120.0° |
| C04 | C03 | C02 | C01 | 168.6° | 180.0° |
| C04 | C03 | C02 | H4 | 71.0° | 60.1° |
| C04 | C03 | C02 | H5 | 48.3° | 60.0° |
| C04 | C03 | H6 | H7 | 118.8° | 120.0° |
| C03 | C04 | H8 | H9 | 119.2° | 120.0° |
| C03 | C04 | C05 | H10 | 65.1° | 60.0° |
| C03 | C04 | C05 | H11 | 54.6° | 60.0° |
| C03 | C02 | C01 | H4 | 120.4° | 120.0° |
| C03 | C02 | C01 | H5 | 120.4° | 120.1° |
| C03 | C02 | C01 | H1 | 180.0° | 180.0° |
| C03 | C02 | C01 | H2 | 60.0° | 59.9° |
| C03 | C02 | C01 | H3 | 60.0° | 60.0° |
| C03 | C02 | H4 | H5 | 118.8° | 120.1° |
| C02 | C03 | H6 | H7 | 118.8° | 120.0° |
| C02 | C03 | C04 | H8 | 119.7° | 60.1° |
| C02 | C03 | C04 | H9 | 0.3° | 60.0° |
| C02 | C01 | H1 | H2 | 120.0° | 120.1° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 119.9° |
| C01 | C02 | H4 | H5 | 118.8° | 120.0° |
| C01 | C02 | C03 | H6 | 48.2° | 60.0° |
| C01 | C02 | C03 | H7 | 71.0° | 60.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H1 | C01 | C02 | H4 | 59.6° | 60.1° |
| H1 | C01 | C02 | H5 | 59.6° | 59.9° |
| H2 | C01 | C02 | H4 | 179.6° | 60.0° |
| H2 | C01 | C02 | H5 | 60.4° | 180.0° |
| H3 | C01 | C02 | H4 | 60.4° | 180.0° |
| H3 | C01 | C02 | H5 | 179.7° | 60.1° |
| H4 | C02 | C03 | H6 | 168.6° | 179.9° |
| H4 | C02 | C03 | H7 | 49.4° | 59.9° |
| H5 | C02 | C03 | H6 | 72.1° | 60.0° |
| H5 | C02 | C03 | H7 | 168.7° | 180.0° |
| H6 | C03 | C04 | H8 | 119.9° | 180.0° |
| H6 | C03 | C04 | H9 | 120.6° | 60.0° |
| H7 | C03 | C04 | H8 | 0.6° | 60.0° |
| H7 | C03 | C04 | H9 | 120.1° | 180.0° |
| H8 | C04 | C05 | H10 | 174.7° | 180.0° |
| H8 | C04 | C05 | H11 | 65.7° | 60.0° |
| H9 | C04 | C05 | H10 | 55.2° | 60.0° |
| H9 | C04 | C05 | H11 | 174.8° | 180.0° |
| H12 | C11 | C12 | H13 | 0.1° | 0.1° |
| H14 | C19 | H15 | H16 | 120.0° | 120.0° |
