FNB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C26 | N25 | doub | 1.31Å | 1.27Å | Aromatic |
| C26 | C27 | sing | 1.40Å | 1.47Å | Aromatic |
| N25 | N24 | sing | 1.29Å | 1.34Å | Aromatic |
| CL2 | C21 | sing | 1.74Å | 1.79Å | |
| C27 | N28 | doub | 1.31Å | 1.27Å | Aromatic |
| N24 | N28 | sing | 1.29Å | 1.35Å | Aromatic |
| N24 | C20 | sing | 1.40Å | 1.36Å | |
| C21 | C20 | doub | 1.39Å | 1.41Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.42Å | Aromatic |
| C20 | N19 | sing | 1.32Å | 1.36Å | Aromatic |
| C22 | C17 | doub | 1.39Å | 1.43Å | Aromatic |
| N19 | C18 | doub | 1.32Å | 1.34Å | Aromatic |
| C33 | O32 | sing | 1.43Å | 1.44Å | |
| C17 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | N15 | sing | 1.40Å | 1.43Å | |
| O16 | C14 | doub | 1.22Å | 1.23Å | |
| O32 | C30 | sing | 1.43Å | 1.44Å | |
| N15 | C14 | sing | 1.35Å | 1.36Å | |
| C14 | N12 | sing | 1.35Å | 1.34Å | |
| C30 | C31 | sing | 1.53Å | 1.55Å | |
| C30 | C11 | sing | 1.53Å | 1.56Å | |
| N12 | C9 | sing | 1.40Å | 1.35Å | |
| C8 | C9 | sing | 1.41Å | 1.50Å | Aromatic |
| C8 | N7 | doub | 1.31Å | 1.26Å | Aromatic |
| C9 | C10 | doub | 1.36Å | 1.36Å | Aromatic |
| N7 | C2 | sing | 1.34Å | 1.43Å | Aromatic |
| C10 | C11 | sing | 1.51Å | 1.53Å | |
| C10 | N1 | sing | 1.37Å | 1.30Å | Aromatic |
| C2 | N1 | sing | 1.37Å | 1.30Å | Aromatic |
| C2 | C5 | doub | 1.39Å | 1.33Å | Aromatic |
| C11 | O13 | sing | 1.43Å | 1.45Å | |
| N1 | N3 | sing | 1.40Å | 1.34Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.45Å | Aromatic |
| N3 | C4 | doub | 1.32Å | 1.25Å | Aromatic |
| C4 | CL6 | sing | 1.74Å | 1.72Å | |
| O13 | C29 | sing | 1.43Å | 1.44Å | |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C18 | H2 | sing | 1.08Å | 1.08Å | |
| C22 | H3 | sing | 1.08Å | 1.08Å | |
| C26 | H4 | sing | 1.08Å | 1.08Å | |
| C27 | H5 | sing | 1.08Å | 1.08Å | |
| C29 | H6 | sing | 1.09Å | 1.10Å | |
| C29 | H7 | sing | 1.09Å | 1.10Å | |
| C29 | H8 | sing | 1.09Å | 1.10Å | |
| C30 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.08Å | 1.08Å | |
| C8 | H11 | sing | 1.08Å | 1.08Å | |
| N12 | H12 | sing | 0.97Å | 1.00Å | |
| N15 | H13 | sing | 0.97Å | 1.00Å | |
| C31 | H14 | sing | 1.09Å | 1.10Å | |
| C31 | H15 | sing | 1.09Å | 1.10Å | |
| C31 | H16 | sing | 1.09Å | 1.10Å | |
| C33 | H17 | sing | 1.09Å | 1.10Å | |
| C33 | H18 | sing | 1.09Å | 1.10Å | |
| C33 | H19 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N25 | C26 | C27 | 106.7° | 105.9° |
| C26 | N25 | N24 | 109.7° | 108.7° |
| N25 | C26 | H4 | 126.7° | 127.0° |
| C26 | C27 | N28 | 105.6° | 105.9° |
| C27 | C26 | H4 | 126.6° | 127.1° |
| C26 | C27 | H5 | 127.2° | 127.0° |
| N25 | N24 | N28 | 107.5° | 110.8° |
| N25 | N24 | C20 | 123.2° | 124.6° |
| CL2 | C21 | C20 | 122.7° | 120.4° |
| CL2 | C21 | C22 | 121.0° | 120.4° |
| C27 | N28 | N24 | 110.3° | 108.8° |
| N28 | C27 | H5 | 127.2° | 127.1° |
| N28 | N24 | C20 | 128.8° | 124.6° |
| N24 | C20 | C21 | 125.8° | 119.6° |
| N24 | C20 | N19 | 113.6° | 119.6° |
| C20 | C21 | C22 | 116.2° | 119.2° |
| C21 | C20 | N19 | 120.6° | 120.8° |
| C21 | C22 | C17 | 120.8° | 118.4° |
| C21 | C22 | H3 | 119.6° | 120.8° |
| C20 | N19 | C18 | 124.5° | 121.7° |
| C22 | C17 | C18 | 119.5° | 119.1° |
| C22 | C17 | N15 | 126.5° | 120.5° |
| C17 | C22 | H3 | 119.6° | 120.8° |
| N19 | C18 | C17 | 118.3° | 120.8° |
| N19 | C18 | H2 | 120.8° | 119.6° |
| C33 | O32 | C30 | 111.7° | 114.0° |
| O32 | C33 | H17 | 109.5° | 109.5° |
| O32 | C33 | H18 | 109.4° | 109.5° |
| O32 | C33 | H19 | 109.4° | 109.5° |
| C18 | C17 | N15 | 114.0° | 120.4° |
| C17 | C18 | H2 | 120.9° | 119.6° |
| C17 | N15 | C14 | 126.5° | 120.0° |
| C17 | N15 | H13 | 116.8° | 120.0° |
| O16 | C14 | N15 | 122.3° | 120.0° |
| O16 | C14 | N12 | 121.2° | 120.0° |
| O32 | C30 | C31 | 113.8° | 109.5° |
| O32 | C30 | C11 | 108.6° | 109.5° |
| O32 | C30 | H9 | 107.8° | 109.4° |
| N15 | C14 | N12 | 116.5° | 120.0° |
| C14 | N15 | H13 | 116.7° | 120.0° |
| C14 | N12 | C9 | 127.8° | 120.0° |
| C14 | N12 | H12 | 116.1° | 120.0° |
| C31 | C30 | C11 | 113.6° | 109.5° |
| C31 | C30 | H9 | 106.4° | 109.5° |
| C30 | C31 | H14 | 109.5° | 109.5° |
| C30 | C31 | H15 | 109.5° | 109.5° |
| C30 | C31 | H16 | 109.5° | 109.4° |
| C30 | C11 | C10 | 111.2° | 109.5° |
| C30 | C11 | O13 | 113.5° | 109.4° |
| C30 | C11 | H1 | 105.7° | 109.5° |
| C11 | C30 | H9 | 106.3° | 109.5° |
| N12 | C9 | C8 | 117.9° | 120.4° |
| N12 | C9 | C10 | 123.5° | 120.3° |
| C9 | N12 | H12 | 116.1° | 120.0° |
| C9 | C8 | N7 | 117.9° | 120.2° |
| C8 | C9 | C10 | 118.0° | 119.3° |
| C9 | C8 | H11 | 121.0° | 119.9° |
| C8 | N7 | C2 | 120.0° | 121.0° |
| N7 | C8 | H11 | 121.0° | 119.9° |
| C9 | C10 | C11 | 127.1° | 120.5° |
| C9 | C10 | N1 | 119.8° | 119.1° |
| N7 | C2 | N1 | 120.3° | 120.6° |
| N7 | C2 | C5 | 126.4° | 132.5° |
| C11 | C10 | N1 | 112.7° | 120.4° |
| C10 | C11 | O13 | 112.6° | 109.5° |
| C10 | C11 | H1 | 106.1° | 109.5° |
| C10 | N1 | C2 | 122.6° | 119.8° |
| C10 | N1 | N3 | 130.0° | 132.5° |
| N1 | C2 | C5 | 113.2° | 106.9° |
| C2 | N1 | N3 | 106.9° | 107.7° |
| C2 | C5 | C4 | 100.4° | 107.6° |
| C2 | C5 | H10 | 129.8° | 126.2° |
| C11 | O13 | C29 | 111.1° | 114.0° |
| O13 | C11 | H1 | 107.0° | 109.5° |
| N1 | N3 | C4 | 109.8° | 108.8° |
| C5 | C4 | N3 | 109.7° | 108.9° |
| C5 | C4 | CL6 | 126.1° | 125.5° |
| C4 | C5 | H10 | 129.8° | 126.2° |
| N3 | C4 | CL6 | 124.2° | 125.5° |
| O13 | C29 | H6 | 109.5° | 109.4° |
| O13 | C29 | H7 | 109.5° | 109.5° |
| O13 | C29 | H8 | 109.5° | 109.5° |
| H6 | C29 | H7 | 109.4° | 109.4° |
| H6 | C29 | H8 | 109.5° | 109.5° |
| H7 | C29 | H8 | 109.5° | 109.5° |
| H14 | C31 | H15 | 109.5° | 109.5° |
| H14 | C31 | H16 | 109.5° | 109.5° |
| H15 | C31 | H16 | 109.5° | 109.5° |
| H17 | C33 | H18 | 109.5° | 109.4° |
| H17 | C33 | H19 | 109.4° | 109.5° |
| H18 | C33 | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N25 | C26 | C27 | H4 | 180.0° | 179.7° |
| N25 | C26 | C27 | N28 | 1.9° | 0.0° |
| C26 | N25 | N24 | N28 | 4.5° | 0.1° |
| C26 | N25 | N24 | C20 | 177.3° | 179.9° |
| N25 | C26 | C27 | H5 | 178.1° | 179.9° |
| C27 | C26 | N25 | N24 | 3.9° | 0.0° |
| C26 | C27 | N28 | H5 | 180.0° | 179.9° |
| C26 | C27 | N28 | N24 | 0.9° | 0.1° |
| N25 | N24 | N28 | C27 | 3.2° | 0.1° |
| N25 | N24 | N28 | C20 | 172.3° | 179.9° |
| N25 | N24 | C20 | C21 | 66.3° | 0.7° |
| N25 | N24 | C20 | N19 | 113.6° | 179.9° |
| N24 | N25 | C26 | H4 | 176.1° | 179.8° |
| CL2 | C21 | C20 | N24 | 3.0° | 0.6° |
| CL2 | C21 | C20 | C22 | 177.9° | 179.1° |
| CL2 | C21 | C20 | N19 | 177.1° | 180.0° |
| CL2 | C21 | C22 | C17 | 178.9° | 179.7° |
| CL2 | C21 | C22 | H3 | 1.1° | 0.3° |
| C27 | N28 | N24 | C20 | 175.5° | 179.9° |
| N28 | C27 | C26 | H4 | 178.1° | 179.7° |
| N28 | N24 | C20 | C21 | 122.4° | 179.5° |
| N28 | N24 | C20 | N19 | 57.6° | 0.1° |
| N24 | N28 | C27 | H5 | 179.2° | 180.0° |
| N24 | C20 | C21 | N19 | 180.0° | 179.4° |
| N24 | C20 | C21 | C22 | 179.2° | 179.7° |
| N24 | C20 | N19 | C18 | 179.1° | 180.0° |
| C20 | C21 | C22 | C17 | 1.0° | 0.6° |
| C21 | C20 | N19 | C18 | 0.9° | 0.6° |
| C20 | C21 | C22 | H3 | 179.0° | 179.4° |
| C22 | C21 | C20 | N19 | 0.8° | 0.9° |
| C21 | C22 | C17 | H3 | 180.0° | 180.0° |
| C21 | C22 | C17 | C18 | 2.8° | 0.1° |
| C21 | C22 | C17 | N15 | 177.7° | 179.7° |
| C20 | N19 | C18 | C17 | 0.9° | 0.0° |
| C20 | N19 | C18 | H2 | 179.1° | 180.0° |
| C22 | C17 | C18 | N19 | 2.7° | 0.2° |
| C22 | C17 | C18 | N15 | 179.6° | 179.8° |
| C22 | C17 | N15 | C14 | 5.0° | 35.1° |
| C22 | C17 | C18 | H2 | 177.3° | 179.7° |
| C22 | C17 | N15 | H13 | 175.0° | 144.9° |
| N19 | C18 | C17 | H2 | 180.0° | 179.9° |
| N19 | C18 | C17 | N15 | 177.7° | 180.0° |
| C33 | O32 | C30 | C31 | 77.4° | 90.0° |
| C33 | O32 | C30 | C11 | 155.1° | 150.0° |
| C33 | O32 | C30 | H9 | 40.3° | 30.0° |
| O32 | C33 | H17 | H18 | 120.0° | 120.0° |
| O32 | C33 | H17 | H19 | 120.0° | 120.0° |
| O32 | C33 | H18 | H19 | 119.9° | 120.0° |
| C18 | C17 | N15 | C14 | 174.6° | 145.1° |
| C18 | C17 | C22 | H3 | 177.2° | 180.0° |
| C18 | C17 | N15 | H13 | 5.4° | 34.9° |
| C17 | N15 | C14 | O16 | 0.4° | 4.9° |
| C17 | N15 | C14 | H13 | 180.0° | 180.0° |
| C17 | N15 | C14 | N12 | 179.2° | 175.1° |
| N15 | C17 | C18 | H2 | 2.3° | 0.1° |
| N15 | C17 | C22 | H3 | 2.3° | 0.3° |
| O16 | C14 | N15 | N12 | 179.6° | 179.9° |
| O16 | C14 | N12 | C9 | 4.0° | 5.1° |
| O16 | C14 | N12 | H12 | 176.0° | 175.0° |
| O16 | C14 | N15 | H13 | 179.6° | 175.1° |
| O32 | C30 | C31 | C11 | 124.9° | 120.0° |
| O32 | C30 | C31 | H9 | 118.5° | 120.0° |
| O32 | C30 | C11 | H9 | 115.7° | 120.0° |
| O32 | C30 | C11 | C10 | 60.5° | 55.0° |
| O32 | C30 | C11 | O13 | 67.7° | 65.0° |
| O32 | C30 | C11 | H1 | 175.3° | 175.0° |
| O32 | C30 | C31 | H14 | 180.0° | 60.0° |
| O32 | C30 | C31 | H15 | 60.0° | 60.0° |
| O32 | C30 | C31 | H16 | 60.0° | 180.0° |
| C30 | O32 | C33 | H17 | 180.0° | 60.0° |
| C30 | O32 | C33 | H18 | 60.0° | 59.9° |
| C30 | O32 | C33 | H19 | 60.0° | 180.0° |
| N15 | C14 | N12 | C9 | 176.4° | 175.0° |
| N15 | C14 | N12 | H12 | 3.6° | 5.0° |
| C14 | N12 | C9 | H12 | 180.0° | 180.0° |
| C14 | N12 | C9 | C8 | 47.1° | 58.1° |
| C14 | N12 | C9 | C10 | 141.5° | 121.6° |
| N12 | C14 | N15 | H13 | 0.7° | 5.0° |
| C31 | C30 | C11 | H9 | 116.7° | 120.0° |
| C31 | C30 | C11 | C10 | 171.8° | 175.0° |
| C31 | C30 | C11 | O13 | 59.9° | 55.0° |
| C31 | C30 | C11 | H1 | 57.1° | 65.0° |
| C30 | C31 | H14 | H15 | 120.0° | 120.0° |
| C30 | C31 | H14 | H16 | 120.0° | 120.0° |
| C30 | C31 | H15 | H16 | 120.0° | 119.9° |
| C30 | C11 | C10 | C9 | 92.0° | 110.0° |
| C30 | C11 | C10 | O13 | 128.7° | 120.0° |
| C30 | C11 | C10 | H1 | 114.5° | 120.0° |
| C30 | C11 | C10 | N1 | 80.7° | 69.4° |
| C30 | C11 | O13 | H1 | 116.3° | 120.0° |
| C30 | C11 | O13 | C29 | 162.4° | 150.0° |
| C11 | C30 | C31 | H14 | 55.1° | 60.0° |
| C11 | C30 | C31 | H15 | 64.9° | 180.0° |
| C11 | C30 | C31 | H16 | 175.1° | 60.0° |
| N12 | C9 | C8 | C10 | 171.9° | 179.7° |
| N12 | C9 | C8 | N7 | 175.8° | 180.0° |
| N12 | C9 | C10 | C11 | 5.4° | 0.3° |
| N12 | C9 | C10 | N1 | 177.7° | 179.7° |
| N12 | C9 | C8 | H11 | 4.2° | 0.3° |
| C9 | C8 | N7 | H11 | 180.0° | 179.7° |
| C9 | C8 | N7 | C2 | 6.3° | 0.0° |
| C8 | C9 | C10 | C11 | 176.8° | 180.0° |
| C8 | C9 | C10 | N1 | 10.9° | 0.6° |
| C8 | C9 | N12 | H12 | 132.9° | 121.9° |
| N7 | C8 | C9 | C10 | 3.9° | 0.3° |
| C8 | N7 | C2 | N1 | 10.5° | 0.1° |
| C8 | N7 | C2 | C5 | 166.5° | 179.7° |
| C9 | C10 | C11 | N1 | 172.8° | 179.4° |
| C9 | C10 | N1 | C2 | 7.2° | 0.6° |
| C9 | C10 | C11 | O13 | 36.7° | 130.0° |
| C9 | C10 | N1 | N3 | 162.7° | 179.5° |
| C9 | C10 | C11 | H1 | 153.5° | 10.0° |
| C10 | C9 | C8 | H11 | 176.1° | 180.0° |
| C10 | C9 | N12 | H12 | 38.5° | 58.5° |
| N7 | C2 | N1 | C10 | 3.5° | 0.3° |
| N7 | C2 | N1 | C5 | 177.4° | 179.7° |
| N7 | C2 | N1 | N3 | 175.5° | 179.7° |
| N7 | C2 | C5 | C4 | 176.2° | 179.7° |
| N7 | C2 | C5 | H10 | 3.9° | 0.3° |
| C2 | N7 | C8 | H11 | 173.7° | 179.7° |
| C11 | C10 | N1 | C2 | 179.5° | 180.0° |
| C10 | C11 | O13 | H1 | 116.2° | 120.0° |
| C11 | C10 | N1 | N3 | 10.6° | 0.0° |
| C10 | C11 | O13 | C29 | 70.2° | 90.0° |
| C10 | C11 | C30 | H9 | 55.2° | 65.0° |
| C10 | N1 | C2 | N3 | 171.9° | 179.9° |
| C10 | N1 | C2 | C5 | 173.9° | 180.0° |
| N1 | C10 | C11 | O13 | 150.6° | 50.5° |
| C10 | N1 | N3 | C4 | 173.2° | 179.9° |
| N1 | C10 | C11 | H1 | 33.8° | 170.6° |
| N1 | C2 | C5 | C4 | 1.0° | 0.0° |
| C2 | N1 | N3 | C4 | 2.0° | 0.0° |
| N1 | C2 | C5 | H10 | 179.0° | 180.0° |
| C5 | C2 | N1 | N3 | 1.9° | 0.0° |
| C2 | C5 | C4 | H10 | 180.0° | 180.0° |
| C2 | C5 | C4 | N3 | 0.3° | 0.0° |
| C2 | C5 | C4 | CL6 | 179.5° | 180.0° |
| C11 | O13 | C29 | H6 | 180.0° | 60.0° |
| C11 | O13 | C29 | H7 | 60.0° | 59.9° |
| C11 | O13 | C29 | H8 | 60.0° | 180.0° |
| O13 | C11 | C30 | H9 | 176.6° | 175.0° |
| N1 | N3 | C4 | C5 | 1.4° | 0.0° |
| N1 | N3 | C4 | CL6 | 179.3° | 180.0° |
| C5 | C4 | N3 | CL6 | 179.2° | 180.0° |
| N3 | C4 | C5 | H10 | 179.7° | 180.0° |
| CL6 | C4 | C5 | H10 | 0.5° | 0.0° |
| C29 | O13 | C11 | H1 | 46.1° | 30.1° |
| O13 | C29 | H6 | H7 | 120.0° | 120.0° |
| O13 | C29 | H6 | H8 | 120.0° | 120.0° |
| O13 | C29 | H7 | H8 | 120.0° | 120.1° |
| H1 | C11 | C30 | H9 | 59.5° | 55.0° |
| H4 | C26 | C27 | H5 | 1.9° | 0.2° |
| H6 | C29 | H7 | H8 | 120.0° | 120.0° |
| H9 | C30 | C31 | H14 | 61.5° | 180.0° |
| H9 | C30 | C31 | H15 | 178.5° | 60.0° |
| H9 | C30 | C31 | H16 | 58.5° | 60.0° |
| H14 | C31 | H15 | H16 | 120.0° | 120.1° |
| H17 | C33 | H18 | H19 | 120.0° | 120.0° |
