F37
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C2 | doub | 1.22Å | 1.27Å | |
| C2 | N1 | sing | 1.34Å | 1.34Å | |
| C2 | N | sing | 1.35Å | 1.33Å | |
| N1 | C3 | sing | 1.35Å | 1.33Å | |
| C3 | O1 | doub | 1.21Å | 1.28Å | |
| C3 | C1 | sing | 1.52Å | 1.48Å | |
| N | C1 | sing | 1.47Å | 1.46Å | |
| C1 | C | sing | 1.53Å | 1.52Å | |
| C1 | C4 | sing | 1.51Å | 1.52Å | |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.40Å | 1.40Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C7 | doub | 1.40Å | 1.38Å | Aromatic |
| C7 | C10 | sing | 1.48Å | 1.48Å | |
| C10 | N3 | sing | 1.37Å | 1.36Å | |
| C10 | N2 | doub | 1.31Å | 1.35Å | |
| N3 | C17 | sing | 1.35Å | 1.33Å | |
| C17 | O2 | doub | 1.22Å | 1.27Å | |
| C17 | C12 | sing | 1.47Å | 1.51Å | |
| N2 | C11 | sing | 1.35Å | 1.35Å | |
| C11 | C12 | sing | 1.41Å | 1.47Å | Aromatic |
| C11 | C16 | doub | 1.40Å | 1.40Å | Aromatic |
| C12 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| C | HC1 | sing | 1.09Å | 1.10Å | |
| C | HC2 | sing | 1.09Å | 1.10Å | |
| C | HC3 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N3 | H3 | sing | 0.97Å | 1.00Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C2 | N1 | 120.1° | 123.8° |
| O | C2 | N | 123.2° | 123.8° |
| N1 | C2 | N | 116.6° | 112.5° |
| C2 | N1 | C3 | 104.4° | 111.6° |
| C2 | N1 | H1 | 127.8° | 124.2° |
| C2 | N | C1 | 105.8° | 106.6° |
| C2 | N | H | 127.1° | 126.7° |
| N1 | C3 | O1 | 120.4° | 127.2° |
| N1 | C3 | C1 | 112.4° | 105.7° |
| C3 | N1 | H1 | 127.8° | 124.2° |
| O1 | C3 | C1 | 127.2° | 127.1° |
| C3 | C1 | N | 100.8° | 103.6° |
| C3 | C1 | C | 111.0° | 110.6° |
| C3 | C1 | C4 | 114.3° | 110.6° |
| N | C1 | C | 103.1° | 110.4° |
| N | C1 | C4 | 113.6° | 110.8° |
| C1 | N | H | 127.1° | 126.7° |
| C | C1 | C4 | 112.8° | 110.7° |
| C1 | C | HC1 | 109.5° | 109.5° |
| C1 | C | HC2 | 109.5° | 109.4° |
| C1 | C | HC3 | 109.4° | 109.5° |
| C1 | C4 | C5 | 120.7° | 119.8° |
| C1 | C4 | C9 | 121.5° | 119.9° |
| C5 | C4 | C9 | 117.8° | 120.3° |
| C4 | C5 | C6 | 121.3° | 120.1° |
| C4 | C5 | H5 | 119.4° | 119.9° |
| C4 | C9 | C8 | 121.4° | 120.2° |
| C4 | C9 | H9 | 119.3° | 119.9° |
| C5 | C6 | C7 | 120.5° | 119.9° |
| C6 | C5 | H5 | 119.4° | 119.9° |
| C5 | C6 | H6 | 119.8° | 120.1° |
| C6 | C7 | C8 | 118.4° | 119.7° |
| C6 | C7 | C10 | 120.8° | 120.1° |
| C7 | C6 | H6 | 119.8° | 120.1° |
| C9 | C8 | C7 | 120.5° | 119.8° |
| C8 | C9 | H9 | 119.3° | 119.9° |
| C9 | C8 | H8 | 119.7° | 120.1° |
| C8 | C7 | C10 | 120.2° | 120.2° |
| C7 | C8 | H8 | 119.7° | 120.1° |
| C7 | C10 | N3 | 121.0° | 118.5° |
| C7 | C10 | N2 | 116.3° | 118.5° |
| N3 | C10 | N2 | 122.3° | 123.0° |
| C10 | N3 | C17 | 122.4° | 120.5° |
| C10 | N3 | H3 | 118.8° | 119.7° |
| C10 | N2 | C11 | 122.1° | 121.7° |
| N3 | C17 | O2 | 118.8° | 121.3° |
| N3 | C17 | C12 | 117.9° | 117.5° |
| C17 | N3 | H3 | 118.8° | 119.8° |
| O2 | C17 | C12 | 123.3° | 121.3° |
| C17 | C12 | C11 | 116.7° | 118.1° |
| C17 | C12 | C13 | 124.7° | 121.8° |
| N2 | C11 | C12 | 118.5° | 119.2° |
| N2 | C11 | C16 | 122.0° | 121.5° |
| C12 | C11 | C16 | 119.5° | 119.3° |
| C11 | C12 | C13 | 118.6° | 120.1° |
| C11 | C16 | C15 | 119.5° | 119.7° |
| C11 | C16 | H16 | 120.3° | 120.1° |
| C12 | C13 | C14 | 120.7° | 119.5° |
| C12 | C13 | H13 | 119.7° | 120.3° |
| C16 | C15 | C14 | 121.7° | 120.8° |
| C15 | C16 | H16 | 120.3° | 120.2° |
| C16 | C15 | H15 | 119.2° | 119.6° |
| C15 | C14 | C13 | 119.9° | 120.6° |
| C14 | C15 | H15 | 119.1° | 119.6° |
| C15 | C14 | H14 | 120.1° | 119.7° |
| C14 | C13 | H13 | 119.7° | 120.2° |
| C13 | C14 | H14 | 120.0° | 119.7° |
| HC1 | C | HC2 | 109.5° | 109.4° |
| HC1 | C | HC3 | 109.5° | 109.5° |
| HC2 | C | HC3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C2 | N1 | N | 178.0° | 179.8° |
| O | C2 | N1 | C3 | 176.4° | 180.0° |
| O | C2 | N | C1 | 176.1° | 179.8° |
| O | C2 | N1 | H1 | 3.6° | 0.1° |
| O | C2 | N | H | 3.9° | 0.1° |
| C2 | N1 | C3 | H1 | 180.0° | 179.9° |
| C2 | N1 | C3 | O1 | 178.8° | 179.9° |
| C2 | N1 | C3 | C1 | 0.8° | 0.1° |
| N1 | C2 | N | C1 | 1.8° | 0.4° |
| N1 | C2 | N | H | 178.1° | 179.7° |
| N | C2 | N1 | C3 | 1.7° | 0.2° |
| C2 | N | C1 | C3 | 1.1° | 0.4° |
| C2 | N | C1 | H | 180.0° | 179.9° |
| C2 | N | C1 | C | 113.6° | 118.8° |
| C2 | N | C1 | C4 | 123.9° | 118.2° |
| N | C2 | N1 | H1 | 178.4° | 179.7° |
| N1 | C3 | O1 | C1 | 177.8° | 180.0° |
| N1 | C3 | C1 | N | 0.2° | 0.3° |
| N1 | C3 | C1 | C | 108.5° | 118.5° |
| N1 | C3 | C1 | C4 | 122.5° | 118.5° |
| O1 | C3 | C1 | N | 177.7° | 179.7° |
| O1 | C3 | C1 | C | 73.6° | 61.5° |
| O1 | C3 | C1 | C4 | 55.4° | 61.5° |
| O1 | C3 | N1 | H1 | 1.2° | 0.0° |
| C3 | C1 | N | C | 114.8° | 118.4° |
| C3 | C1 | N | C4 | 122.7° | 118.6° |
| C3 | C1 | C | C4 | 129.7° | 122.9° |
| C3 | C1 | C4 | C5 | 96.8° | 150.0° |
| C3 | C1 | C4 | C9 | 82.5° | 29.7° |
| C1 | C3 | N1 | H1 | 179.3° | 180.0° |
| C3 | C1 | N | H | 178.8° | 179.7° |
| C3 | C1 | C | HC1 | 180.0° | 59.3° |
| C3 | C1 | C | HC2 | 60.0° | 179.3° |
| C3 | C1 | C | HC3 | 60.0° | 60.7° |
| N | C1 | C | C4 | 123.0° | 123.1° |
| N | C1 | C4 | C5 | 148.2° | 35.7° |
| N | C1 | C4 | C9 | 32.5° | 144.0° |
| N | C1 | C | HC1 | 72.8° | 54.7° |
| N | C1 | C | HC2 | 167.2° | 65.3° |
| N | C1 | C | HC3 | 47.2° | 174.8° |
| C | C1 | C4 | C5 | 31.2° | 87.1° |
| C | C1 | C4 | C9 | 149.4° | 93.2° |
| C | C1 | N | H | 66.4° | 61.3° |
| C1 | C | HC1 | HC2 | 120.0° | 120.0° |
| C1 | C | HC1 | HC3 | 120.0° | 120.0° |
| C1 | C | HC2 | HC3 | 120.0° | 120.0° |
| C1 | C4 | C5 | C9 | 179.4° | 179.7° |
| C1 | C4 | C5 | C6 | 179.2° | 180.0° |
| C1 | C4 | C9 | C8 | 179.7° | 180.0° |
| C4 | C1 | N | H | 56.1° | 61.6° |
| C4 | C1 | C | HC1 | 50.3° | 177.8° |
| C4 | C1 | C | HC2 | 69.7° | 57.8° |
| C4 | C1 | C | HC3 | 170.2° | 62.2° |
| C1 | C4 | C5 | H5 | 0.8° | 0.1° |
| C1 | C4 | C9 | H9 | 0.3° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 3.3° | 0.1° |
| C5 | C4 | C9 | C8 | 0.4° | 0.3° |
| C5 | C4 | C9 | H9 | 179.6° | 179.7° |
| C4 | C5 | C6 | H6 | 176.6° | 180.0° |
| C9 | C4 | C5 | C6 | 1.4° | 0.3° |
| C4 | C9 | C8 | H9 | 180.0° | 180.0° |
| C4 | C9 | C8 | C7 | 1.2° | 0.1° |
| C9 | C4 | C5 | H5 | 178.6° | 179.8° |
| C4 | C9 | C8 | H8 | 178.8° | 180.0° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 4.1° | 0.2° |
| C5 | C6 | C7 | C10 | 175.8° | 180.0° |
| C6 | C7 | C8 | C9 | 3.0° | 0.3° |
| C6 | C7 | C8 | C10 | 171.8° | 179.7° |
| C6 | C7 | C10 | N3 | 12.2° | 180.0° |
| C6 | C7 | C10 | N2 | 161.7° | 0.2° |
| C7 | C6 | C5 | H5 | 176.7° | 179.9° |
| C6 | C7 | C8 | H8 | 177.0° | 179.7° |
| C9 | C8 | C7 | H8 | 180.0° | 180.0° |
| C9 | C8 | C7 | C10 | 174.8° | 180.0° |
| C8 | C7 | C10 | N3 | 176.2° | 0.2° |
| C8 | C7 | C10 | N2 | 9.9° | 180.0° |
| C7 | C8 | C9 | H9 | 178.8° | 180.0° |
| C8 | C7 | C6 | H6 | 175.9° | 179.7° |
| C7 | C10 | N3 | N2 | 173.5° | 179.8° |
| C7 | C10 | N3 | C17 | 176.1° | 180.0° |
| C7 | C10 | N2 | C11 | 176.7° | 180.0° |
| C10 | C7 | C6 | H6 | 4.2° | 0.0° |
| C10 | C7 | C8 | H8 | 5.2° | 0.0° |
| C7 | C10 | N3 | H3 | 3.9° | 0.0° |
| C10 | N3 | C17 | H3 | 180.0° | 180.0° |
| C10 | N3 | C17 | O2 | 178.4° | 180.0° |
| C10 | N3 | C17 | C12 | 1.9° | 0.0° |
| N3 | C10 | N2 | C11 | 2.9° | 0.2° |
| N2 | C10 | N3 | C17 | 2.6° | 0.2° |
| C10 | N2 | C11 | C12 | 2.6° | 0.0° |
| C10 | N2 | C11 | C16 | 177.4° | 180.0° |
| N2 | C10 | N3 | H3 | 177.4° | 179.7° |
| N3 | C17 | O2 | C12 | 179.7° | 180.0° |
| N3 | C17 | C12 | C11 | 1.6° | 0.2° |
| N3 | C17 | C12 | C13 | 178.0° | 180.0° |
| O2 | C17 | C12 | C11 | 178.7° | 179.8° |
| O2 | C17 | C12 | C13 | 1.6° | 0.0° |
| O2 | C17 | N3 | H3 | 1.6° | 0.0° |
| C17 | C12 | C11 | N2 | 2.0° | 0.2° |
| C17 | C12 | C11 | C13 | 179.7° | 179.8° |
| C17 | C12 | C11 | C16 | 178.0° | 179.8° |
| C17 | C12 | C13 | C14 | 178.9° | 179.8° |
| C12 | C17 | N3 | H3 | 178.1° | 180.0° |
| C17 | C12 | C13 | H13 | 1.1° | 0.0° |
| N2 | C11 | C12 | C16 | 180.0° | 180.0° |
| N2 | C11 | C12 | C13 | 177.7° | 180.0° |
| N2 | C11 | C16 | C15 | 177.7° | 180.0° |
| N2 | C11 | C16 | H16 | 2.3° | 0.0° |
| C12 | C11 | C16 | C15 | 2.4° | 0.0° |
| C11 | C12 | C13 | C14 | 1.5° | 0.0° |
| C12 | C11 | C16 | H16 | 177.6° | 180.0° |
| C11 | C12 | C13 | H13 | 178.5° | 179.8° |
| C16 | C11 | C12 | C13 | 2.3° | 0.0° |
| C11 | C16 | C15 | H16 | 180.0° | 180.0° |
| C11 | C16 | C15 | C14 | 1.6° | 0.0° |
| C11 | C16 | C15 | H15 | 178.4° | 180.0° |
| C12 | C13 | C14 | C15 | 0.7° | 0.0° |
| C12 | C13 | C14 | H13 | 180.0° | 179.8° |
| C12 | C13 | C14 | H14 | 179.3° | 180.0° |
| C16 | C15 | C14 | H15 | 180.0° | 179.9° |
| C16 | C15 | C14 | C13 | 0.7° | 0.0° |
| C16 | C15 | C14 | H14 | 179.3° | 180.0° |
| C15 | C14 | C13 | H14 | 180.0° | 180.0° |
| C14 | C15 | C16 | H16 | 178.4° | 180.0° |
| C15 | C14 | C13 | H13 | 179.3° | 179.8° |
| C13 | C14 | C15 | H15 | 179.3° | 179.9° |
| HC1 | C | HC2 | HC3 | 120.0° | 120.0° |
| H5 | C5 | C6 | H6 | 3.3° | 0.1° |
| H9 | C9 | C8 | H8 | 1.2° | 0.0° |
| H16 | C16 | C15 | H15 | 1.6° | 0.0° |
| H13 | C13 | C14 | H14 | 0.7° | 0.2° |
| H15 | C15 | C14 | H14 | 0.7° | 0.1° |
