RBM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C12 | doub | 1.36Å | 1.37Å | Aromatic |
| C11 | C10 | sing | 1.40Å | 1.42Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | C10 | doub | 1.40Å | 1.42Å | Aromatic |
| C9 | N4 | sing | 1.31Å | 1.32Å | Aromatic |
| C10 | C15 | sing | 1.42Å | 1.43Å | Aromatic |
| C13 | C14 | doub | 1.36Å | 1.37Å | Aromatic |
| N4 | C8 | doub | 1.33Å | 1.34Å | Aromatic |
| C14 | C15 | sing | 1.40Å | 1.42Å | Aromatic |
| C15 | C7 | doub | 1.41Å | 1.43Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | N3 | sing | 1.40Å | 1.42Å | |
| N3 | C6 | sing | 1.35Å | 1.36Å | |
| O1 | S | doub | 1.42Å | 1.42Å | |
| C6 | C5 | sing | 1.51Å | 1.53Å | |
| C6 | O2 | doub | 1.21Å | 1.23Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | N2 | sing | 1.47Å | 1.47Å | |
| C5 | C16 | sing | 1.51Å | 1.52Å | |
| C2 | C3 | sing | 1.47Å | 1.47Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| S | N2 | sing | 1.66Å | 1.60Å | |
| S | O | doub | 1.42Å | 1.42Å | |
| S | N | sing | 1.66Å | 1.60Å | |
| N2 | C22 | sing | 1.47Å | 1.47Å | |
| C16 | C17 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | C21 | sing | 1.38Å | 1.41Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | N1 | trip | 1.14Å | 1.14Å | |
| C1 | N | sing | 1.46Å | 1.48Å | |
| N | C | sing | 1.46Å | 1.47Å | |
| C22 | C21 | sing | 1.51Å | 1.51Å | |
| C21 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | CL | sing | 1.74Å | 1.74Å | |
| C18 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C17 | H7 | sing | 1.08Å | 1.08Å | |
| C20 | H8 | sing | 1.08Å | 1.08Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.08Å | 1.08Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | H14 | sing | 1.09Å | 1.10Å | |
| C2 | H15 | sing | 1.09Å | 1.10Å | |
| C | H16 | sing | 1.09Å | 1.10Å | |
| C | H17 | sing | 1.09Å | 1.10Å | |
| C | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.08Å | 1.08Å | |
| C12 | H20 | sing | 1.08Å | 1.08Å | |
| C11 | H21 | sing | 1.08Å | 1.08Å | |
| C9 | H22 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C11 | C10 | 120.5° | 119.6° |
| C11 | C12 | C13 | 120.7° | 121.0° |
| C11 | C12 | H20 | 119.7° | 119.5° |
| C12 | C11 | H21 | 119.8° | 120.2° |
| C11 | C10 | C9 | 123.1° | 122.0° |
| C11 | C10 | C15 | 119.1° | 119.3° |
| C10 | C11 | H21 | 119.8° | 120.3° |
| C12 | C13 | C14 | 120.7° | 121.0° |
| C12 | C13 | H6 | 119.6° | 119.5° |
| C13 | C12 | H20 | 119.7° | 119.5° |
| C10 | C9 | N4 | 124.1° | 120.2° |
| C9 | C10 | C15 | 117.8° | 118.7° |
| C10 | C9 | H22 | 117.9° | 119.9° |
| C9 | N4 | C8 | 117.5° | 122.9° |
| N4 | C9 | H22 | 118.0° | 119.9° |
| C10 | C15 | C14 | 118.1° | 119.6° |
| C10 | C15 | C7 | 118.1° | 118.2° |
| C13 | C14 | C15 | 121.0° | 119.5° |
| C14 | C13 | H6 | 119.7° | 119.5° |
| C13 | C14 | H19 | 119.5° | 120.2° |
| N4 | C8 | C7 | 125.5° | 121.6° |
| N4 | C8 | H5 | 117.3° | 119.2° |
| C14 | C15 | C7 | 123.8° | 122.2° |
| C15 | C14 | H19 | 119.5° | 120.3° |
| C15 | C7 | C8 | 116.9° | 118.5° |
| C15 | C7 | N3 | 118.9° | 120.8° |
| C8 | C7 | N3 | 123.9° | 120.8° |
| C7 | C8 | H5 | 117.2° | 119.2° |
| C7 | N3 | C6 | 127.9° | 120.0° |
| C7 | N3 | H1 | 116.1° | 120.1° |
| N3 | C6 | C5 | 114.8° | 120.0° |
| N3 | C6 | O2 | 123.1° | 119.9° |
| C6 | N3 | H1 | 116.0° | 119.9° |
| O1 | S | N2 | 108.2° | 106.4° |
| O1 | S | O | 120.6° | 123.2° |
| O1 | S | N | 108.9° | 106.4° |
| C5 | C6 | O2 | 122.1° | 120.0° |
| C6 | C5 | C4 | 109.5° | 109.2° |
| C6 | C5 | C16 | 109.4° | 109.2° |
| C6 | C5 | H4 | 109.0° | 109.1° |
| C5 | C4 | N2 | 107.2° | 107.9° |
| C4 | C5 | C16 | 110.6° | 110.9° |
| C5 | C4 | H2 | 110.0° | 109.8° |
| C5 | C4 | H3 | 110.0° | 109.8° |
| C4 | C5 | H4 | 109.1° | 109.2° |
| C4 | N2 | S | 118.6° | 121.4° |
| C4 | N2 | C22 | 113.7° | 117.3° |
| N2 | C4 | H2 | 110.0° | 109.7° |
| N2 | C4 | H3 | 110.1° | 109.8° |
| C5 | C16 | C17 | 120.7° | 117.7° |
| C5 | C16 | C21 | 120.1° | 122.8° |
| C16 | C5 | H4 | 109.2° | 109.2° |
| C3 | C2 | C1 | 112.0° | 109.5° |
| C2 | C3 | N1 | 178.1° | 180.0° |
| C3 | C2 | H14 | 108.8° | 109.5° |
| C3 | C2 | H15 | 108.8° | 109.5° |
| C2 | C1 | N | 112.8° | 109.5° |
| C2 | C1 | H12 | 108.6° | 109.5° |
| C2 | C1 | H13 | 108.7° | 109.4° |
| C1 | C2 | H14 | 108.8° | 109.5° |
| C1 | C2 | H15 | 108.8° | 109.4° |
| N2 | S | O | 106.9° | 106.4° |
| N2 | S | N | 102.2° | 107.2° |
| S | N2 | C22 | 115.0° | 121.4° |
| O | S | N | 108.5° | 106.4° |
| S | N | C1 | 126.9° | 120.0° |
| S | N | C | 118.9° | 120.0° |
| N2 | C22 | C21 | 110.7° | 109.7° |
| N2 | C22 | H9 | 109.2° | 109.5° |
| N2 | C22 | H10 | 109.1° | 109.4° |
| C17 | C16 | C21 | 119.2° | 119.5° |
| C16 | C17 | C18 | 119.7° | 120.6° |
| C16 | C17 | H7 | 120.2° | 119.7° |
| C16 | C21 | C22 | 122.6° | 122.3° |
| C16 | C21 | C20 | 119.2° | 119.9° |
| C17 | C18 | CL | 119.3° | 120.1° |
| C17 | C18 | C19 | 121.6° | 119.8° |
| C18 | C17 | H7 | 120.1° | 119.7° |
| C1 | N | C | 114.0° | 120.0° |
| N | C1 | H12 | 108.6° | 109.5° |
| N | C1 | H13 | 108.6° | 109.5° |
| N | C | H16 | 109.5° | 109.5° |
| N | C | H17 | 109.5° | 109.5° |
| N | C | H18 | 109.5° | 109.4° |
| C22 | C21 | C20 | 118.2° | 117.8° |
| C21 | C22 | H9 | 109.2° | 109.4° |
| C21 | C22 | H10 | 109.1° | 109.5° |
| C21 | C20 | C19 | 121.2° | 120.5° |
| C21 | C20 | H8 | 119.4° | 119.7° |
| CL | C18 | C19 | 119.1° | 120.1° |
| C18 | C19 | C20 | 119.0° | 119.7° |
| C18 | C19 | H11 | 120.5° | 120.1° |
| C19 | C20 | H8 | 119.4° | 119.8° |
| C20 | C19 | H11 | 120.5° | 120.1° |
| H2 | C4 | H3 | 109.5° | 109.8° |
| H9 | C22 | H10 | 109.5° | 109.4° |
| H12 | C1 | H13 | 109.4° | 109.5° |
| H14 | C2 | H15 | 109.4° | 109.5° |
| H16 | C | H17 | 109.5° | 109.5° |
| H16 | C | H18 | 109.4° | 109.5° |
| H17 | C | H18 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C11 | C10 | H21 | 180.0° | 179.9° |
| C11 | C12 | C13 | H20 | 180.0° | 180.0° |
| C12 | C11 | C10 | C9 | 178.6° | 180.0° |
| C12 | C11 | C10 | C15 | 1.6° | 0.1° |
| C11 | C12 | C13 | C14 | 1.6° | 0.1° |
| C11 | C12 | C13 | H6 | 178.4° | 180.0° |
| C10 | C11 | C12 | C13 | 0.5° | 0.1° |
| C11 | C10 | C9 | C15 | 179.9° | 180.0° |
| C11 | C10 | C9 | N4 | 179.1° | 179.7° |
| C11 | C10 | C15 | C14 | 2.5° | 0.1° |
| C11 | C10 | C15 | C7 | 177.2° | 180.0° |
| C10 | C11 | C12 | H20 | 179.5° | 179.9° |
| C11 | C10 | C9 | H22 | 0.9° | 0.1° |
| C12 | C13 | C14 | H6 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 0.6° | 0.0° |
| C12 | C13 | C14 | H19 | 179.3° | 180.0° |
| C13 | C12 | C11 | H21 | 179.5° | 180.0° |
| C10 | C9 | N4 | H22 | 180.0° | 179.7° |
| C10 | C9 | N4 | C8 | 0.7° | 0.3° |
| C9 | C10 | C15 | C14 | 177.7° | 180.0° |
| C9 | C10 | C15 | C7 | 2.7° | 0.0° |
| C9 | C10 | C11 | H21 | 1.4° | 0.1° |
| N4 | C9 | C10 | C15 | 0.8° | 0.3° |
| C9 | N4 | C8 | C7 | 0.2° | 0.0° |
| C9 | N4 | C8 | H5 | 179.8° | 180.0° |
| C10 | C15 | C14 | C13 | 1.4° | 0.0° |
| C10 | C15 | C14 | C7 | 179.6° | 180.0° |
| C10 | C15 | C7 | C8 | 3.1° | 0.2° |
| C10 | C15 | C7 | N3 | 171.2° | 179.9° |
| C10 | C15 | C14 | H19 | 178.6° | 180.0° |
| C15 | C10 | C11 | H21 | 178.4° | 180.0° |
| C15 | C10 | C9 | H22 | 179.2° | 180.0° |
| C13 | C14 | C15 | H19 | 180.0° | 180.0° |
| C13 | C14 | C15 | C7 | 178.2° | 180.0° |
| C14 | C13 | C12 | H20 | 178.4° | 180.0° |
| N4 | C8 | C7 | C15 | 1.7° | 0.3° |
| N4 | C8 | C7 | H5 | 180.0° | 180.0° |
| N4 | C8 | C7 | N3 | 172.3° | 180.0° |
| C8 | N4 | C9 | H22 | 179.3° | 180.0° |
| C14 | C15 | C7 | C8 | 177.3° | 179.7° |
| C14 | C15 | C7 | N3 | 8.4° | 0.0° |
| C15 | C14 | C13 | H6 | 179.4° | 180.0° |
| C15 | C7 | C8 | N3 | 173.9° | 179.7° |
| C15 | C7 | N3 | C6 | 98.7° | 145.7° |
| C15 | C7 | N3 | H1 | 81.3° | 34.6° |
| C15 | C7 | C8 | H5 | 178.3° | 179.8° |
| C7 | C15 | C14 | H19 | 1.7° | 0.0° |
| C8 | C7 | N3 | C6 | 75.1° | 34.6° |
| C8 | C7 | N3 | H1 | 104.9° | 145.1° |
| C7 | N3 | C6 | H1 | 180.0° | 179.7° |
| C7 | N3 | C6 | C5 | 179.1° | 175.9° |
| C7 | N3 | C6 | O2 | 1.5° | 4.2° |
| N3 | C7 | C8 | H5 | 7.8° | 0.1° |
| N3 | C6 | C5 | O2 | 179.4° | 180.0° |
| N3 | C6 | C5 | C4 | 81.0° | 180.0° |
| N3 | C6 | C5 | C16 | 157.6° | 58.6° |
| N3 | C6 | C5 | H4 | 38.3° | 60.7° |
| O1 | S | N2 | C4 | 31.9° | 23.6° |
| O1 | S | N2 | O | 131.3° | 133.0° |
| O1 | S | N2 | N | 114.8° | 113.5° |
| O1 | S | O | N | 126.5° | 122.9° |
| O1 | S | N2 | C22 | 171.2° | 156.5° |
| O1 | S | N | C1 | 56.9° | 23.5° |
| O1 | S | N | C | 129.2° | 156.4° |
| C6 | C5 | C4 | C16 | 120.6° | 120.4° |
| C6 | C5 | C4 | H4 | 119.3° | 119.2° |
| C6 | C5 | C4 | N2 | 67.5° | 72.9° |
| C6 | C5 | C16 | H4 | 119.2° | 119.2° |
| C6 | C5 | C16 | C17 | 80.1° | 79.3° |
| C6 | C5 | C16 | C21 | 99.2° | 100.5° |
| C5 | C6 | N3 | H1 | 0.9° | 4.4° |
| C6 | C5 | C4 | H2 | 52.1° | 46.7° |
| C6 | C5 | C4 | H3 | 172.8° | 167.4° |
| O2 | C6 | C5 | C4 | 98.4° | 0.0° |
| O2 | C6 | C5 | C16 | 23.0° | 121.4° |
| O2 | C6 | N3 | H1 | 178.5° | 175.6° |
| O2 | C6 | C5 | H4 | 142.3° | 119.3° |
| C5 | C4 | N2 | H2 | 119.6° | 119.6° |
| C5 | C4 | N2 | H3 | 119.7° | 119.7° |
| C4 | C5 | C16 | H4 | 120.1° | 120.4° |
| C5 | C4 | N2 | S | 150.8° | 115.7° |
| C5 | C4 | N2 | C22 | 69.4° | 64.3° |
| C4 | C5 | C16 | C17 | 159.2° | 160.3° |
| C4 | C5 | C16 | C21 | 21.5° | 19.9° |
| C5 | C4 | H2 | H3 | 121.0° | 120.8° |
| N2 | C4 | C5 | C16 | 53.1° | 47.5° |
| C4 | N2 | S | C22 | 139.3° | 180.0° |
| C4 | N2 | S | O | 99.3° | 156.5° |
| C4 | N2 | S | N | 146.7° | 90.0° |
| C4 | N2 | C22 | C21 | 46.8° | 44.4° |
| N2 | C4 | H2 | H3 | 121.0° | 120.8° |
| N2 | C4 | C5 | H4 | 173.2° | 167.9° |
| C4 | N2 | C22 | H9 | 167.1° | 75.7° |
| C4 | N2 | C22 | H10 | 73.3° | 164.5° |
| C5 | C16 | C17 | C21 | 179.3° | 179.8° |
| C5 | C16 | C17 | C18 | 177.5° | 179.5° |
| C5 | C16 | C21 | C22 | 0.2° | 1.0° |
| C5 | C16 | C21 | C20 | 178.7° | 179.4° |
| C16 | C5 | C4 | H2 | 172.7° | 167.0° |
| C16 | C5 | C4 | H3 | 66.6° | 72.2° |
| C5 | C16 | C17 | H7 | 2.5° | 0.5° |
| C3 | C2 | C1 | H14 | 120.4° | 120.0° |
| C3 | C2 | C1 | H15 | 120.4° | 120.0° |
| C3 | C2 | C1 | N | 110.9° | 180.0° |
| C3 | C2 | C1 | H12 | 128.6° | 60.0° |
| C3 | C2 | C1 | H13 | 9.6° | 60.0° |
| C3 | C2 | H14 | H15 | 118.8° | 120.0° |
| C2 | C1 | N | S | 93.8° | 95.0° |
| C1 | C2 | C3 | N1 | 135.6° | 83.8° |
| C2 | C1 | N | H12 | 120.5° | 120.0° |
| C2 | C1 | N | H13 | 120.5° | 120.0° |
| C2 | C1 | N | C | 92.0° | 85.0° |
| C2 | C1 | H12 | H13 | 118.5° | 120.0° |
| C1 | C2 | H14 | H15 | 118.8° | 120.0° |
| N2 | S | O | N | 109.6° | 114.1° |
| N2 | S | N | C1 | 57.4° | 90.0° |
| N2 | S | N | C | 116.5° | 90.0° |
| S | N2 | C22 | C21 | 171.9° | 135.7° |
| S | N2 | C4 | H2 | 31.2° | 3.9° |
| S | N2 | C4 | H3 | 89.5° | 124.6° |
| S | N2 | C22 | H9 | 51.7° | 104.3° |
| S | N2 | C22 | H10 | 68.0° | 15.6° |
| O | S | N2 | C22 | 39.9° | 23.5° |
| O | S | N | C1 | 170.2° | 156.5° |
| O | S | N | C | 3.8° | 23.5° |
| N | S | N2 | C22 | 74.0° | 90.0° |
| S | N | C1 | C | 174.2° | 180.0° |
| S | N | C1 | H12 | 26.7° | 145.0° |
| S | N | C1 | H13 | 145.6° | 25.0° |
| S | N | C | H16 | 180.0° | 90.0° |
| S | N | C | H17 | 60.0° | 150.0° |
| S | N | C | H18 | 60.0° | 30.0° |
| N2 | C22 | C21 | C16 | 11.5° | 11.2° |
| N2 | C22 | C21 | H9 | 120.2° | 120.1° |
| N2 | C22 | C21 | H10 | 120.2° | 120.0° |
| N2 | C22 | C21 | C20 | 167.4° | 169.1° |
| C22 | N2 | C4 | H2 | 170.9° | 176.1° |
| C22 | N2 | C4 | H3 | 50.2° | 55.3° |
| N2 | C22 | H9 | H10 | 119.4° | 119.8° |
| C16 | C17 | C18 | H7 | 180.0° | 180.0° |
| C17 | C16 | C21 | C22 | 179.5° | 179.2° |
| C17 | C16 | C21 | C20 | 0.6° | 0.4° |
| C16 | C17 | C18 | CL | 176.5° | 180.0° |
| C16 | C17 | C18 | C19 | 1.2° | 0.0° |
| C17 | C16 | C5 | H4 | 39.2° | 39.9° |
| C21 | C16 | C17 | C18 | 1.8° | 0.3° |
| C16 | C21 | C22 | C20 | 178.9° | 179.6° |
| C16 | C21 | C20 | C19 | 1.2° | 0.2° |
| C21 | C16 | C5 | H4 | 141.6° | 140.3° |
| C21 | C16 | C17 | H7 | 178.2° | 179.7° |
| C16 | C21 | C20 | H8 | 178.8° | 179.8° |
| C16 | C21 | C22 | H9 | 131.8° | 108.9° |
| C16 | C21 | C22 | H10 | 108.6° | 131.3° |
| C17 | C18 | CL | C19 | 177.8° | 180.0° |
| C17 | C18 | C19 | C20 | 0.6° | 0.3° |
| C17 | C18 | C19 | H11 | 179.4° | 179.8° |
| N1 | C3 | C2 | H14 | 15.2° | 36.2° |
| N1 | C3 | C2 | H15 | 104.0° | 156.3° |
| N | C1 | H12 | H13 | 118.4° | 120.0° |
| N | C1 | C2 | H14 | 9.5° | 60.0° |
| N | C1 | C2 | H15 | 128.7° | 60.0° |
| C1 | N | C | H16 | 5.3° | 90.0° |
| C1 | N | C | H17 | 125.3° | 30.1° |
| C1 | N | C | H18 | 114.7° | 150.0° |
| C | N | C1 | H12 | 147.5° | 35.0° |
| C | N | C1 | H13 | 28.5° | 155.0° |
| N | C | H16 | H17 | 120.0° | 120.0° |
| N | C | H16 | H18 | 120.0° | 120.0° |
| N | C | H17 | H18 | 120.0° | 119.9° |
| C22 | C21 | C20 | C19 | 177.8° | 179.4° |
| C22 | C21 | C20 | H8 | 2.2° | 0.6° |
| C21 | C22 | H9 | H10 | 119.4° | 119.9° |
| C21 | C20 | C19 | C18 | 1.8° | 0.2° |
| C21 | C20 | C19 | H8 | 180.0° | 179.9° |
| C20 | C21 | C22 | H9 | 47.2° | 70.7° |
| C20 | C21 | C22 | H10 | 72.4° | 49.1° |
| C21 | C20 | C19 | H11 | 178.2° | 179.9° |
| CL | C18 | C19 | C20 | 178.3° | 179.7° |
| CL | C18 | C17 | H7 | 3.5° | 0.0° |
| CL | C18 | C19 | H11 | 1.7° | 0.2° |
| C18 | C19 | C20 | H11 | 180.0° | 180.0° |
| C19 | C18 | C17 | H7 | 178.8° | 180.0° |
| C18 | C19 | C20 | H8 | 178.2° | 179.9° |
| H2 | C4 | C5 | H4 | 67.2° | 72.5° |
| H3 | C4 | C5 | H4 | 53.5° | 48.2° |
| H6 | C13 | C14 | H19 | 0.7° | 0.0° |
| H6 | C13 | C12 | H20 | 1.6° | 0.0° |
| H8 | C20 | C19 | H11 | 1.8° | 0.1° |
| H12 | C1 | C2 | H14 | 111.1° | 180.0° |
| H12 | C1 | C2 | H15 | 8.2° | 60.0° |
| H13 | C1 | C2 | H14 | 130.0° | 60.0° |
| H13 | C1 | C2 | H15 | 110.8° | 180.0° |
| H16 | C | H17 | H18 | 120.0° | 120.0° |
| H20 | C12 | C11 | H21 | 0.5° | 0.1° |
