FRZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.35Å | 1.45Å | Aromatic |
| C1 | C6 | sing | 1.40Å | 1.46Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.10Å | |
| C2 | N3 | sing | 1.37Å | 1.41Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| N3 | C4 | sing | 1.37Å | 1.41Å | Aromatic |
| N3 | N7 | sing | 1.40Å | 1.46Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.46Å | Aromatic |
| C4 | C9 | doub | 1.40Å | 1.45Å | Aromatic |
| C5 | C6 | doub | 1.36Å | 1.46Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| N7 | C8 | doub | 1.32Å | 1.41Å | Aromatic |
| C8 | C9 | sing | 1.41Å | 1.46Å | Aromatic |
| C8 | C11 | sing | 1.48Å | 1.46Å | Aromatic |
| C9 | C10 | sing | 1.48Å | 1.46Å | Aromatic |
| C10 | C22 | doub | 1.40Å | 1.47Å | Aromatic |
| C10 | N26 | sing | 1.33Å | 1.42Å | Aromatic |
| C11 | C12 | doub | 1.39Å | 1.46Å | Aromatic |
| C11 | C16 | sing | 1.39Å | 1.46Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.46Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| C13 | C14 | doub | 1.38Å | 1.45Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| C14 | C15 | sing | 1.38Å | 1.45Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.10Å | |
| C15 | C16 | doub | 1.38Å | 1.46Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.10Å | |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| C22 | C23 | sing | 1.40Å | 1.46Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.10Å | |
| C23 | C24 | doub | 1.41Å | 1.44Å | Aromatic |
| C23 | C27 | sing | 1.46Å | 1.44Å | Aromatic |
| C24 | N25 | sing | 1.33Å | 1.42Å | Aromatic |
| C24 | N29 | sing | 1.37Å | 1.41Å | Aromatic |
| N25 | N26 | doub | 1.28Å | 1.60Å | Aromatic |
| C27 | N28 | doub | 1.31Å | 1.41Å | Aromatic |
| C27 | N30 | sing | 1.40Å | 1.41Å | |
| N28 | N29 | sing | 1.40Å | 1.44Å | Aromatic |
| N29 | H29 | sing | 0.97Å | 1.02Å | |
| N30 | H301 | sing | 0.97Å | 1.02Å | |
| N30 | H302 | sing | 0.97Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 116.4° | 120.4° |
| C2 | C1 | H1 | 121.6° | 119.8° |
| C1 | C2 | N3 | 119.7° | 120.7° |
| C1 | C2 | H2 | 121.6° | 119.6° |
| C6 | C1 | H1 | 122.0° | 119.8° |
| C1 | C6 | C5 | 122.5° | 119.5° |
| C1 | C6 | H6 | 118.8° | 120.2° |
| N3 | C2 | H2 | 118.8° | 119.6° |
| C2 | N3 | C4 | 125.5° | 120.0° |
| C2 | N3 | N7 | 123.6° | 132.0° |
| C4 | N3 | N7 | 110.7° | 108.0° |
| N3 | C4 | C5 | 116.7° | 120.1° |
| N3 | C4 | C9 | 107.5° | 107.1° |
| N3 | N7 | C8 | 104.8° | 109.2° |
| C5 | C4 | C9 | 135.8° | 132.8° |
| C4 | C5 | C6 | 119.2° | 119.3° |
| C4 | C5 | H5 | 120.3° | 120.4° |
| C4 | C9 | C8 | 105.8° | 107.1° |
| C4 | C9 | C10 | 126.1° | 126.5° |
| C6 | C5 | H5 | 120.5° | 120.4° |
| C5 | C6 | H6 | 118.7° | 120.2° |
| N7 | C8 | C9 | 111.1° | 108.5° |
| N7 | C8 | C11 | 115.2° | 125.7° |
| C9 | C8 | C11 | 133.8° | 125.8° |
| C8 | C9 | C10 | 128.1° | 126.4° |
| C8 | C11 | C12 | 120.6° | 120.1° |
| C8 | C11 | C16 | 124.7° | 120.2° |
| C9 | C10 | C22 | 123.0° | 120.0° |
| C9 | C10 | N26 | 121.5° | 120.1° |
| C22 | C10 | N26 | 114.1° | 119.9° |
| C10 | C22 | C23 | 125.8° | 117.3° |
| C10 | C22 | H22 | 117.6° | 121.3° |
| C10 | N26 | N25 | 120.0° | 122.9° |
| C12 | C11 | C16 | 114.2° | 119.8° |
| C11 | C12 | C13 | 123.0° | 119.9° |
| C11 | C12 | H12 | 118.6° | 120.1° |
| C11 | C16 | C15 | 123.9° | 119.9° |
| C11 | C16 | H16 | 118.2° | 120.1° |
| C13 | C12 | H12 | 118.4° | 120.0° |
| C12 | C13 | C14 | 121.2° | 120.1° |
| C12 | C13 | H13 | 119.7° | 120.0° |
| C14 | C13 | H13 | 119.1° | 119.9° |
| C13 | C14 | C15 | 117.2° | 120.2° |
| C13 | C14 | H14 | 121.4° | 119.9° |
| C15 | C14 | H14 | 121.4° | 119.9° |
| C14 | C15 | C16 | 120.5° | 120.1° |
| C14 | C15 | H15 | 119.6° | 119.9° |
| C16 | C15 | H15 | 119.9° | 120.0° |
| C15 | C16 | H16 | 117.9° | 120.0° |
| C23 | C22 | H22 | 116.6° | 121.3° |
| C22 | C23 | C24 | 121.9° | 118.5° |
| C22 | C23 | C27 | 132.8° | 135.0° |
| C24 | C23 | C27 | 105.2° | 106.5° |
| C23 | C24 | N25 | 115.3° | 119.3° |
| C23 | C24 | N29 | 108.6° | 106.5° |
| C23 | C27 | N28 | 111.1° | 107.5° |
| C23 | C27 | N30 | 127.0° | 126.3° |
| N25 | C24 | N29 | 136.0° | 134.1° |
| C24 | N25 | N26 | 122.9° | 122.0° |
| C24 | N29 | N28 | 109.5° | 109.3° |
| C24 | N29 | H29 | 112.3° | 125.3° |
| N28 | C27 | N30 | 121.9° | 126.3° |
| C27 | N28 | N29 | 105.6° | 110.1° |
| C27 | N30 | H301 | 126.9° | 120.0° |
| C27 | N30 | H302 | 106.1° | 120.0° |
| N28 | N29 | H29 | 112.2° | 125.3° |
| H301 | N30 | H302 | 106.0° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 180.0° |
| C1 | C2 | N3 | H2 | 180.0° | 180.0° |
| C1 | C2 | N3 | C4 | 0.2° | 0.0° |
| C1 | C2 | N3 | N7 | 176.4° | 179.9° |
| C2 | C1 | C6 | C5 | 0.9° | 0.0° |
| C2 | C1 | C6 | H6 | 179.1° | 180.0° |
| C6 | C1 | C2 | N3 | 1.3° | 0.0° |
| C6 | C1 | C2 | H2 | 178.7° | 180.0° |
| C1 | C6 | C5 | C4 | 0.6° | 0.0° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C1 | C6 | C5 | H5 | 179.4° | 180.0° |
| H1 | C1 | C2 | N3 | 178.7° | 180.0° |
| H1 | C1 | C2 | H2 | 1.3° | 0.0° |
| H1 | C1 | C6 | C5 | 179.2° | 180.0° |
| H1 | C1 | C6 | H6 | 0.8° | 0.0° |
| C2 | N3 | C4 | N7 | 177.0° | 180.0° |
| C2 | N3 | C4 | C5 | 1.3° | 0.1° |
| C2 | N3 | C4 | C9 | 176.2° | 180.0° |
| C2 | N3 | N7 | C8 | 176.0° | 179.7° |
| H2 | C2 | N3 | C4 | 179.8° | 180.0° |
| H2 | C2 | N3 | N7 | 3.6° | 0.1° |
| N3 | C4 | C5 | C9 | 176.6° | 179.9° |
| N3 | C4 | C5 | C6 | 1.6° | 0.1° |
| N3 | C4 | C5 | H5 | 178.3° | 180.0° |
| C4 | N3 | N7 | C8 | 1.1° | 0.2° |
| N3 | C4 | C9 | C8 | 0.1° | 0.2° |
| N3 | C4 | C9 | C10 | 178.0° | 180.0° |
| N7 | N3 | C4 | C5 | 178.2° | 179.9° |
| N7 | N3 | C4 | C9 | 0.7° | 0.0° |
| N3 | N7 | C8 | C9 | 1.0° | 0.4° |
| N3 | N7 | C8 | C11 | 179.0° | 179.9° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | H6 | 179.4° | 179.9° |
| C5 | C4 | C9 | C8 | 176.9° | 179.7° |
| C5 | C4 | C9 | C10 | 5.2° | 0.1° |
| C9 | C4 | C5 | C6 | 175.0° | 179.9° |
| C9 | C4 | C5 | H5 | 5.1° | 0.2° |
| C4 | C9 | C8 | N7 | 0.6° | 0.4° |
| C4 | C9 | C8 | C10 | 177.9° | 179.8° |
| C4 | C9 | C8 | C11 | 179.4° | 180.0° |
| C4 | C9 | C10 | C22 | 127.9° | 47.2° |
| C4 | C9 | C10 | N26 | 66.5° | 132.8° |
| H5 | C5 | C6 | H6 | 0.6° | 0.0° |
| N7 | C8 | C9 | C11 | 180.0° | 179.7° |
| N7 | C8 | C9 | C10 | 177.3° | 179.9° |
| N7 | C8 | C11 | C12 | 37.8° | 137.9° |
| N7 | C8 | C11 | C16 | 150.9° | 41.7° |
| C8 | C9 | C10 | C22 | 49.5° | 133.1° |
| C8 | C9 | C10 | N26 | 116.0° | 46.9° |
| C9 | C8 | C11 | C12 | 142.2° | 41.7° |
| C9 | C8 | C11 | C16 | 29.1° | 138.6° |
| C11 | C8 | C9 | C10 | 2.8° | 0.2° |
| C8 | C11 | C12 | C16 | 172.1° | 179.6° |
| C8 | C11 | C12 | C13 | 169.5° | 180.0° |
| C8 | C11 | C12 | H12 | 10.4° | 0.1° |
| C8 | C11 | C16 | C15 | 168.7° | 179.7° |
| C8 | C11 | C16 | H16 | 11.2° | 0.4° |
| C9 | C10 | C22 | N26 | 166.5° | 180.0° |
| C9 | C10 | C22 | C23 | 164.1° | 179.8° |
| C9 | C10 | C22 | H22 | 16.0° | 0.0° |
| C9 | C10 | N26 | N25 | 164.5° | 179.9° |
| C10 | C22 | C23 | H22 | 180.0° | 179.8° |
| C10 | C22 | C23 | C24 | 0.7° | 0.5° |
| C10 | C22 | C23 | C27 | 174.4° | 179.6° |
| C22 | C10 | N26 | N25 | 2.2° | 0.1° |
| N26 | C10 | C22 | C23 | 2.5° | 0.2° |
| N26 | C10 | C22 | H22 | 177.5° | 180.0° |
| C10 | N26 | N25 | C24 | 0.5° | 0.1° |
| C11 | C12 | C13 | H12 | 179.9° | 180.0° |
| C11 | C12 | C13 | C14 | 0.4° | 0.0° |
| C11 | C12 | C13 | H13 | 179.6° | 180.0° |
| C12 | C11 | C16 | C15 | 3.0° | 0.7° |
| C12 | C11 | C16 | H16 | 177.0° | 180.0° |
| C16 | C11 | C12 | C13 | 2.6° | 0.3° |
| C16 | C11 | C12 | H12 | 177.4° | 179.7° |
| C11 | C16 | C15 | C14 | 1.2° | 0.7° |
| C11 | C16 | C15 | H16 | 180.0° | 179.3° |
| C11 | C16 | C15 | H15 | 178.8° | 179.7° |
| C12 | C13 | C14 | H13 | 179.9° | 180.0° |
| C12 | C13 | C14 | C15 | 1.7° | 0.0° |
| C12 | C13 | C14 | H14 | 178.3° | 180.0° |
| H12 | C12 | C13 | C14 | 179.7° | 180.0° |
| H12 | C12 | C13 | H13 | 0.4° | 0.0° |
| C13 | C14 | C15 | H14 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 1.3° | 0.4° |
| C13 | C14 | C15 | H15 | 178.7° | 180.0° |
| H13 | C13 | C14 | C15 | 178.4° | 180.0° |
| H13 | C13 | C14 | H14 | 1.6° | 0.1° |
| C14 | C15 | C16 | H15 | 180.0° | 179.7° |
| C14 | C15 | C16 | H16 | 178.9° | 180.0° |
| H14 | C14 | C15 | C16 | 178.7° | 179.7° |
| H14 | C14 | C15 | H15 | 1.3° | 0.1° |
| H15 | C15 | C16 | H16 | 1.2° | 0.3° |
| C22 | C23 | C24 | C27 | 176.3° | 179.3° |
| C22 | C23 | C24 | N25 | 1.2° | 0.5° |
| C22 | C23 | C24 | N29 | 176.0° | 179.7° |
| C22 | C23 | C27 | N28 | 175.3° | 179.5° |
| C22 | C23 | C27 | N30 | 1.5° | 0.7° |
| H22 | C22 | C23 | C24 | 179.2° | 179.7° |
| H22 | C22 | C23 | C27 | 5.6° | 0.6° |
| C23 | C24 | N25 | N29 | 176.3° | 179.8° |
| C23 | C24 | N25 | N26 | 1.4° | 0.2° |
| C24 | C23 | C27 | N28 | 0.4° | 0.4° |
| C24 | C23 | C27 | N30 | 177.2° | 179.9° |
| C23 | C24 | N29 | N28 | 0.1° | 0.2° |
| C23 | C24 | N29 | H29 | 125.1° | 179.8° |
| C27 | C23 | C24 | N25 | 177.5° | 179.8° |
| C27 | C23 | C24 | N29 | 0.3° | 0.4° |
| C23 | C27 | N28 | N30 | 177.0° | 179.8° |
| C23 | C27 | N28 | N29 | 0.3° | 0.2° |
| C23 | C27 | N30 | H301 | 179.9° | 179.7° |
| C23 | C27 | N30 | H302 | 54.8° | 0.5° |
| N25 | C24 | N29 | N28 | 176.5° | 180.0° |
| N25 | C24 | N29 | H29 | 51.3° | 0.0° |
| N29 | C24 | N25 | N26 | 174.9° | 179.9° |
| C24 | N29 | N28 | C27 | 0.1° | 0.0° |
| C24 | N29 | N28 | H29 | 125.3° | 180.0° |
| C27 | N28 | N29 | H29 | 125.4° | 180.0° |
| N28 | C27 | N30 | H301 | 3.6° | 0.0° |
| N28 | C27 | N30 | H302 | 128.8° | 179.8° |
| N30 | C27 | N28 | N29 | 177.3° | 180.0° |
| C27 | N30 | H301 | H302 | 125.2° | 179.8° |
