6BC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL17 | C16 | sing | 1.74Å | 1.75Å | |
| C16 | N18 | doub | 1.32Å | 1.33Å | Aromatic |
| C16 | C8 | sing | 1.40Å | 1.40Å | Aromatic |
| N18 | C4 | sing | 1.33Å | 1.34Å | Aromatic |
| C4 | N5 | sing | 1.37Å | 1.34Å | Aromatic |
| C4 | C1 | doub | 1.41Å | 1.35Å | Aromatic |
| C8 | C6 | doub | 1.37Å | 1.40Å | Aromatic |
| C8 | C9 | sing | 1.51Å | 1.49Å | |
| C6 | O7 | sing | 1.35Å | 1.31Å | |
| C6 | N5 | sing | 1.37Å | 1.38Å | Aromatic |
| N5 | N19 | sing | 1.40Å | 1.39Å | Aromatic |
| N19 | C20 | doub | 1.31Å | 1.35Å | Aromatic |
| C20 | C1 | sing | 1.41Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.43Å | 1.34Å | |
| C2 | N3 | trip | 1.14Å | 1.15Å | |
| C9 | C10 | sing | 1.51Å | 1.51Å | |
| C10 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.36Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.41Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | H91C | sing | 1.09Å | 1.10Å | |
| C9 | H92C | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| O7 | H7 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL17 | C16 | N18 | 113.7° | 119.9° |
| CL17 | C16 | C8 | 118.5° | 119.9° |
| N18 | C16 | C8 | 127.7° | 120.2° |
| C16 | N18 | C4 | 113.4° | 121.0° |
| C16 | C8 | C6 | 116.1° | 119.3° |
| C16 | C8 | C9 | 120.7° | 120.4° |
| N18 | C4 | N5 | 123.9° | 120.8° |
| N18 | C4 | C1 | 132.3° | 132.5° |
| N5 | C4 | C1 | 103.8° | 106.7° |
| C4 | N5 | C6 | 122.8° | 119.7° |
| C4 | N5 | N19 | 113.0° | 108.1° |
| C4 | C1 | C20 | 111.2° | 106.9° |
| C4 | C1 | C2 | 125.1° | 126.5° |
| C6 | C8 | C9 | 123.1° | 120.3° |
| C8 | C6 | O7 | 122.2° | 120.5° |
| C8 | C6 | N5 | 115.8° | 119.0° |
| C8 | C9 | C10 | 119.5° | 109.5° |
| C8 | C9 | H91C | 106.3° | 109.4° |
| C8 | C9 | H92C | 103.9° | 109.4° |
| O7 | C6 | N5 | 121.9° | 120.5° |
| C6 | O7 | H7 | 109.5° | 114.0° |
| C6 | N5 | N19 | 123.9° | 132.2° |
| N5 | N19 | C20 | 105.1° | 109.5° |
| N19 | C20 | C1 | 106.9° | 108.7° |
| N19 | C20 | H20 | 126.6° | 125.7° |
| C20 | C1 | C2 | 123.7° | 126.5° |
| C1 | C20 | H20 | 126.6° | 125.6° |
| C1 | C2 | N3 | 179.4° | 180.0° |
| C9 | C10 | C15 | 122.2° | 120.0° |
| C9 | C10 | C11 | 117.9° | 120.0° |
| C10 | C9 | H91C | 106.2° | 109.5° |
| C10 | C9 | H92C | 103.9° | 109.5° |
| C15 | C10 | C11 | 119.8° | 120.0° |
| C10 | C15 | C14 | 118.6° | 120.0° |
| C10 | C15 | H15 | 120.7° | 120.0° |
| C10 | C11 | C12 | 122.1° | 120.0° |
| C10 | C11 | H11 | 118.9° | 120.0° |
| C15 | C14 | C13 | 121.3° | 120.0° |
| C14 | C15 | H15 | 120.7° | 120.0° |
| C15 | C14 | H14 | 119.4° | 120.1° |
| C14 | C13 | C12 | 118.5° | 120.1° |
| C13 | C14 | H14 | 119.4° | 120.0° |
| C14 | C13 | H13 | 120.8° | 120.0° |
| C13 | C12 | C11 | 119.5° | 120.0° |
| C12 | C13 | H13 | 120.7° | 120.0° |
| C13 | C12 | H12 | 120.2° | 120.0° |
| C12 | C11 | H11 | 119.0° | 120.0° |
| C11 | C12 | H12 | 120.2° | 120.0° |
| H91C | C9 | H92C | 117.7° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL17 | C16 | N18 | C8 | 179.0° | 179.6° |
| CL17 | C16 | N18 | C4 | 178.4° | 180.0° |
| CL17 | C16 | C8 | C6 | 177.3° | 180.0° |
| CL17 | C16 | C8 | C9 | 1.6° | 0.1° |
| C16 | N18 | C4 | N5 | 2.1° | 0.1° |
| C16 | N18 | C4 | C1 | 178.8° | 180.0° |
| N18 | C16 | C8 | C6 | 1.6° | 0.4° |
| N18 | C16 | C8 | C9 | 179.4° | 179.6° |
| C8 | C16 | N18 | C4 | 0.5° | 0.4° |
| C16 | C8 | C6 | C9 | 178.9° | 180.0° |
| C16 | C8 | C6 | O7 | 179.8° | 179.9° |
| C16 | C8 | C6 | N5 | 3.9° | 0.0° |
| C16 | C8 | C9 | C10 | 98.6° | 85.0° |
| C16 | C8 | C9 | H91C | 141.4° | 35.0° |
| C16 | C8 | C9 | H92C | 16.6° | 154.9° |
| N18 | C4 | N5 | C1 | 179.4° | 180.0° |
| N18 | C4 | N5 | C6 | 5.0° | 0.3° |
| N18 | C4 | N5 | N19 | 178.9° | 180.0° |
| N18 | C4 | C1 | C20 | 179.9° | 179.9° |
| N18 | C4 | C1 | C2 | 0.8° | 0.0° |
| C4 | N5 | C6 | C8 | 5.7° | 0.3° |
| C4 | N5 | C6 | O7 | 178.1° | 179.8° |
| C4 | N5 | C6 | N19 | 173.3° | 179.6° |
| C4 | N5 | N19 | C20 | 2.2° | 0.0° |
| N5 | C4 | C1 | C20 | 0.6° | 0.0° |
| N5 | C4 | C1 | C2 | 178.4° | 180.0° |
| C1 | C4 | N5 | C6 | 175.7° | 179.7° |
| C1 | C4 | N5 | N19 | 1.8° | 0.0° |
| C4 | C1 | C20 | N19 | 0.7° | 0.0° |
| C4 | C1 | C20 | C2 | 179.1° | 180.0° |
| C4 | C1 | C2 | N3 | 60.7° | 3.4° |
| C4 | C1 | C20 | H20 | 179.3° | 180.0° |
| C8 | C6 | O7 | N5 | 176.0° | 180.0° |
| C8 | C6 | N5 | N19 | 179.0° | 179.9° |
| C6 | C8 | C9 | C10 | 80.3° | 95.0° |
| C6 | C8 | C9 | H91C | 39.7° | 145.0° |
| C6 | C8 | C9 | H92C | 164.6° | 25.0° |
| C8 | C6 | O7 | H7 | 121.1° | 180.0° |
| C9 | C8 | C6 | O7 | 1.0° | 0.0° |
| C9 | C8 | C6 | N5 | 177.2° | 180.0° |
| C8 | C9 | C10 | H91C | 120.0° | 120.0° |
| C8 | C9 | C10 | H92C | 115.2° | 120.0° |
| C8 | C9 | C10 | C15 | 37.4° | 90.0° |
| C8 | C9 | C10 | C11 | 141.8° | 90.3° |
| C8 | C9 | H91C | H92C | 115.9° | 119.9° |
| O7 | C6 | N5 | N19 | 4.8° | 0.2° |
| C6 | N5 | N19 | C20 | 176.1° | 179.6° |
| N5 | C6 | O7 | H7 | 62.9° | 0.0° |
| N5 | N19 | C20 | C1 | 1.7° | 0.0° |
| N5 | N19 | C20 | H20 | 178.3° | 180.0° |
| N19 | C20 | C1 | H20 | 180.0° | 180.0° |
| N19 | C20 | C1 | C2 | 179.8° | 180.0° |
| C20 | C1 | C2 | N3 | 118.3° | 176.6° |
| C2 | C1 | C20 | H20 | 0.2° | 0.0° |
| C9 | C10 | C15 | C11 | 179.2° | 179.7° |
| C9 | C10 | C15 | C14 | 178.8° | 180.0° |
| C9 | C10 | C11 | C12 | 178.9° | 179.8° |
| C10 | C9 | H91C | H92C | 115.9° | 120.1° |
| C9 | C10 | C15 | H15 | 1.2° | 0.1° |
| C9 | C10 | C11 | H11 | 1.1° | 0.0° |
| C10 | C15 | C14 | H15 | 180.0° | 179.9° |
| C10 | C15 | C14 | C13 | 1.0° | 0.1° |
| C15 | C10 | C11 | C12 | 0.3° | 0.5° |
| C15 | C10 | C9 | H91C | 82.6° | 29.9° |
| C15 | C10 | C9 | H92C | 152.6° | 150.0° |
| C15 | C10 | C11 | H11 | 179.7° | 179.7° |
| C10 | C15 | C14 | H14 | 179.0° | 180.0° |
| C11 | C10 | C15 | C14 | 2.1° | 0.3° |
| C10 | C11 | C12 | C13 | 3.7° | 0.4° |
| C10 | C11 | C12 | H11 | 180.0° | 179.8° |
| C11 | C10 | C9 | H91C | 98.2° | 149.7° |
| C11 | C10 | C9 | H92C | 26.6° | 29.7° |
| C11 | C10 | C15 | H15 | 178.0° | 179.8° |
| C10 | C11 | C12 | H12 | 176.3° | 179.7° |
| C15 | C14 | C13 | H14 | 180.0° | 179.9° |
| C15 | C14 | C13 | C12 | 2.3° | 0.0° |
| C15 | C14 | C13 | H13 | 177.7° | 180.0° |
| C14 | C13 | C12 | H13 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 4.6° | 0.2° |
| C13 | C14 | C15 | H15 | 179.0° | 180.0° |
| C14 | C13 | C12 | H12 | 175.4° | 179.9° |
| C13 | C12 | C11 | H12 | 180.0° | 179.9° |
| C13 | C12 | C11 | H11 | 176.3° | 179.8° |
| C12 | C13 | C14 | H14 | 177.7° | 180.0° |
| C11 | C12 | C13 | H13 | 175.4° | 179.8° |
| H15 | C15 | C14 | H14 | 1.0° | 0.1° |
| H11 | C11 | C12 | H12 | 3.7° | 0.1° |
| H14 | C14 | C13 | H13 | 2.3° | 0.1° |
| H13 | C13 | C12 | H12 | 4.6° | 0.0° |
