RZA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C3 | sing | 1.43Å | 1.43Å | |
| C3 | C4 | sing | 1.54Å | 1.53Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C4 | N1 | sing | 1.47Å | 1.48Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C2 | N1 | sing | 1.47Å | 1.48Å | |
| N1 | C5 | sing | 1.38Å | 1.40Å | |
| N4 | C15 | trip | 1.14Å | 1.14Å | |
| C5 | N2 | doub | 1.32Å | 1.34Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.44Å | Aromatic |
| C15 | C6 | sing | 1.43Å | 1.44Å | |
| N2 | C9 | sing | 1.32Å | 1.34Å | Aromatic |
| C6 | C7 | doub | 1.40Å | 1.41Å | Aromatic |
| C10 | C11 | sing | 1.55Å | 1.52Å | |
| C10 | N3 | sing | 1.48Å | 1.46Å | |
| C9 | N3 | sing | 1.39Å | 1.39Å | |
| C9 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| O2 | C11 | sing | 1.43Å | 1.43Å | |
| C7 | C8 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | C14 | sing | 1.51Å | 1.51Å | |
| C11 | C12 | sing | 1.55Å | 1.52Å | |
| N3 | C13 | sing | 1.48Å | 1.47Å | |
| F2 | C14 | sing | 1.40Å | 1.32Å | |
| C14 | F3 | sing | 1.40Å | 1.34Å | |
| C14 | F1 | sing | 1.40Å | 1.33Å | |
| C13 | C12 | sing | 1.54Å | 1.53Å | |
| C12 | O1 | sing | 1.43Å | 1.43Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| O1 | H15 | sing | 0.97Å | 0.95Å | |
| O2 | H16 | sing | 0.97Å | 0.95Å | |
| O3 | H17 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C3 | C4 | 109.8° | 114.2° |
| O3 | C3 | C2 | 105.8° | 114.2° |
| O3 | C3 | H10 | 117.5° | 113.4° |
| C3 | O3 | H17 | 109.5° | 114.0° |
| C4 | C3 | C2 | 89.2° | 83.6° |
| C3 | C4 | N1 | 88.7° | 87.9° |
| C3 | C4 | H1 | 114.4° | 113.4° |
| C3 | C4 | H2 | 114.4° | 113.5° |
| C4 | C3 | H10 | 115.4° | 114.2° |
| C3 | C2 | C1 | 118.3° | 113.5° |
| C3 | C2 | N1 | 88.5° | 87.9° |
| C3 | C2 | H9 | 111.5° | 113.5° |
| C2 | C3 | H10 | 115.4° | 114.2° |
| C4 | N1 | C2 | 93.4° | 87.9° |
| C4 | N1 | C5 | 131.1° | 111.0° |
| N1 | C4 | H1 | 114.4° | 113.5° |
| N1 | C4 | H2 | 114.4° | 113.5° |
| C1 | C2 | N1 | 112.9° | 113.5° |
| C2 | C1 | H6 | 109.5° | 109.4° |
| C2 | C1 | H7 | 109.5° | 109.5° |
| C2 | C1 | H8 | 109.4° | 109.5° |
| C1 | C2 | H9 | 111.6° | 112.7° |
| C2 | N1 | C5 | 122.6° | 111.0° |
| N1 | C2 | H9 | 112.2° | 113.6° |
| N1 | C5 | N2 | 116.3° | 119.8° |
| N1 | C5 | C6 | 119.4° | 119.8° |
| N4 | C15 | C6 | 177.3° | 180.0° |
| N2 | C5 | C6 | 124.3° | 120.4° |
| C5 | N2 | C9 | 119.7° | 121.7° |
| C5 | C6 | C15 | 123.9° | 120.6° |
| C5 | C6 | C7 | 113.5° | 118.9° |
| C15 | C6 | C7 | 122.4° | 120.5° |
| N2 | C9 | N3 | 116.4° | 119.4° |
| N2 | C9 | C8 | 121.3° | 121.1° |
| C6 | C7 | C8 | 122.5° | 118.5° |
| C6 | C7 | C14 | 120.9° | 120.7° |
| C11 | C10 | N3 | 104.7° | 103.2° |
| C10 | C11 | O2 | 110.7° | 110.7° |
| C10 | C11 | C12 | 102.7° | 102.9° |
| C11 | C10 | H11 | 110.7° | 110.6° |
| C11 | C10 | H12 | 110.7° | 110.7° |
| C10 | C11 | H13 | 110.5° | 110.7° |
| C10 | N3 | C9 | 122.0° | 111.0° |
| C10 | N3 | C13 | 111.0° | 105.8° |
| N3 | C10 | H11 | 110.7° | 110.7° |
| N3 | C10 | H12 | 110.7° | 110.7° |
| N3 | C9 | C8 | 122.3° | 119.4° |
| C9 | N3 | C13 | 126.9° | 111.0° |
| C9 | C8 | C7 | 118.6° | 119.4° |
| C9 | C8 | H5 | 120.7° | 120.3° |
| O2 | C11 | C12 | 110.1° | 110.7° |
| O2 | C11 | H13 | 111.9° | 110.8° |
| C11 | O2 | H16 | 109.5° | 114.0° |
| C8 | C7 | C14 | 116.3° | 120.8° |
| C7 | C8 | H5 | 120.7° | 120.3° |
| C7 | C14 | F2 | 112.8° | 109.5° |
| C7 | C14 | F3 | 113.6° | 109.5° |
| C7 | C14 | F1 | 112.6° | 109.5° |
| C11 | C12 | C13 | 102.9° | 105.2° |
| C11 | C12 | O1 | 112.1° | 110.4° |
| C12 | C11 | H13 | 110.6° | 110.8° |
| C11 | C12 | H14 | 108.9° | 110.3° |
| N3 | C13 | C12 | 101.0° | 107.0° |
| N3 | C13 | H3 | 111.6° | 109.9° |
| N3 | C13 | H4 | 111.6° | 109.9° |
| F2 | C14 | F3 | 106.6° | 109.4° |
| F2 | C14 | F1 | 105.3° | 109.5° |
| F3 | C14 | F1 | 105.3° | 109.5° |
| C13 | C12 | O1 | 113.9° | 110.3° |
| C12 | C13 | H3 | 111.6° | 109.9° |
| C12 | C13 | H4 | 111.6° | 109.9° |
| C13 | C12 | H14 | 108.7° | 110.3° |
| O1 | C12 | H14 | 110.1° | 110.3° |
| C12 | O1 | H15 | 109.5° | 114.0° |
| H1 | C4 | H2 | 109.5° | 112.7° |
| H3 | C13 | H4 | 109.4° | 110.1° |
| H6 | C1 | H7 | 109.5° | 109.4° |
| H6 | C1 | H8 | 109.5° | 109.5° |
| H7 | C1 | H8 | 109.5° | 109.5° |
| H11 | C10 | H12 | 109.4° | 110.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C3 | C4 | C2 | 106.5° | 113.6° |
| O3 | C3 | C4 | H10 | 135.6° | 132.7° |
| O3 | C3 | C2 | H10 | 131.6° | 132.7° |
| O3 | C3 | C4 | N1 | 109.9° | 139.7° |
| O3 | C3 | C2 | C1 | 130.9° | 105.6° |
| O3 | C3 | C2 | N1 | 113.8° | 139.7° |
| O3 | C3 | C4 | H1 | 6.4° | 24.9° |
| O3 | C3 | C4 | H2 | 133.8° | 105.5° |
| O3 | C3 | C2 | H9 | 0.5° | 24.8° |
| C4 | C3 | C2 | H10 | 118.0° | 113.6° |
| C3 | C4 | N1 | H1 | 116.3° | 114.7° |
| C3 | C4 | N1 | H2 | 116.3° | 114.8° |
| C4 | C3 | C2 | C1 | 118.7° | 140.8° |
| C4 | C3 | C2 | N1 | 3.4° | 26.0° |
| C3 | C4 | N1 | C5 | 143.7° | 138.7° |
| C3 | C4 | H1 | H2 | 129.8° | 130.8° |
| C4 | C3 | C2 | H9 | 109.9° | 88.8° |
| C4 | C3 | O3 | H17 | 180.0° | 79.5° |
| C3 | C2 | C1 | N1 | 101.2° | 98.4° |
| C3 | C2 | C1 | H9 | 131.3° | 130.8° |
| C3 | C2 | N1 | H9 | 112.6° | 114.8° |
| C3 | C2 | N1 | C5 | 148.6° | 138.7° |
| C2 | C3 | C4 | H1 | 112.9° | 88.7° |
| C2 | C3 | C4 | H2 | 119.7° | 140.9° |
| C3 | C2 | C1 | H6 | 180.0° | 38.4° |
| C3 | C2 | C1 | H7 | 60.0° | 81.6° |
| C3 | C2 | C1 | H8 | 60.0° | 158.4° |
| C2 | C3 | O3 | H17 | 85.0° | 173.3° |
| C4 | N1 | C2 | C1 | 123.8° | 141.8° |
| C4 | N1 | C2 | C5 | 145.0° | 111.7° |
| C4 | N1 | C5 | N2 | 143.0° | 98.5° |
| C4 | N1 | C5 | C6 | 36.9° | 81.5° |
| N1 | C4 | H1 | H2 | 129.9° | 130.8° |
| C4 | N1 | C2 | H9 | 109.0° | 87.8° |
| N1 | C4 | C3 | H10 | 114.5° | 87.6° |
| C1 | C2 | N1 | H9 | 127.2° | 130.4° |
| C1 | C2 | N1 | C5 | 91.2° | 106.6° |
| C2 | C1 | H6 | H7 | 120.0° | 120.0° |
| C2 | C1 | H6 | H8 | 120.0° | 120.0° |
| C2 | C1 | H7 | H8 | 120.0° | 120.0° |
| C1 | C2 | C3 | H10 | 0.8° | 27.2° |
| C2 | N1 | C5 | N2 | 12.3° | 2.5° |
| C2 | N1 | C5 | C6 | 167.6° | 177.5° |
| C2 | N1 | C4 | H1 | 112.7° | 87.7° |
| C2 | N1 | C4 | H2 | 119.8° | 141.9° |
| N1 | C2 | C1 | H6 | 78.8° | 60.0° |
| N1 | C2 | C1 | H7 | 41.2° | 180.0° |
| N1 | C2 | C1 | H8 | 161.2° | 60.0° |
| N1 | C2 | C3 | H10 | 114.5° | 87.6° |
| N1 | C5 | N2 | C6 | 179.9° | 180.0° |
| N1 | C5 | C6 | C15 | 8.4° | 0.0° |
| N1 | C5 | N2 | C9 | 178.8° | 180.0° |
| N1 | C5 | C6 | C7 | 177.2° | 180.0° |
| C5 | N1 | C4 | H1 | 27.4° | 24.0° |
| C5 | N1 | C4 | H2 | 100.0° | 106.5° |
| C5 | N1 | C2 | H9 | 36.0° | 23.9° |
| N4 | C15 | C6 | C5 | 6.9° | 5.4° |
| N4 | C15 | C6 | C7 | 167.0° | 174.6° |
| N2 | C5 | C6 | C15 | 171.7° | 180.0° |
| N2 | C5 | C6 | C7 | 2.7° | 0.0° |
| C5 | N2 | C9 | N3 | 178.9° | 180.0° |
| C5 | N2 | C9 | C8 | 0.2° | 0.1° |
| C5 | C6 | C15 | C7 | 173.9° | 180.0° |
| C6 | C5 | N2 | C9 | 1.1° | 0.0° |
| C5 | C6 | C7 | C8 | 3.2° | 0.0° |
| C5 | C6 | C7 | C14 | 170.6° | 180.0° |
| C15 | C6 | C7 | C8 | 171.3° | 180.0° |
| C15 | C6 | C7 | C14 | 14.9° | 0.1° |
| N2 | C9 | N3 | C10 | 8.2° | 117.4° |
| N2 | C9 | N3 | C8 | 178.7° | 179.9° |
| N2 | C9 | C8 | C7 | 0.3° | 0.1° |
| N2 | C9 | N3 | C13 | 169.4° | 0.0° |
| N2 | C9 | C8 | H5 | 179.7° | 180.0° |
| C6 | C7 | C8 | C9 | 2.2° | 0.1° |
| C6 | C7 | C8 | C14 | 174.1° | 180.0° |
| C6 | C7 | C14 | F2 | 82.1° | 60.1° |
| C6 | C7 | C14 | F3 | 39.4° | 180.0° |
| C6 | C7 | C14 | F1 | 159.0° | 60.0° |
| C6 | C7 | C8 | H5 | 177.8° | 180.0° |
| C11 | C10 | N3 | H11 | 119.3° | 118.4° |
| C11 | C10 | N3 | H12 | 119.2° | 118.5° |
| C11 | C10 | N3 | C9 | 177.8° | 159.7° |
| C10 | C11 | O2 | C12 | 112.8° | 113.4° |
| C10 | C11 | O2 | H13 | 123.7° | 123.3° |
| C10 | C11 | C12 | H13 | 118.0° | 118.3° |
| C11 | C10 | N3 | C13 | 0.2° | 39.3° |
| C10 | C11 | C12 | C13 | 40.5° | 22.0° |
| C10 | C11 | C12 | O1 | 163.2° | 97.0° |
| C11 | C10 | H11 | H12 | 122.2° | 123.0° |
| C10 | C11 | C12 | H14 | 74.8° | 140.9° |
| C10 | C11 | O2 | H16 | 180.0° | 61.5° |
| C10 | N3 | C9 | C13 | 177.6° | 117.4° |
| C10 | N3 | C9 | C8 | 170.5° | 62.5° |
| N3 | C10 | C11 | O2 | 92.5° | 155.8° |
| N3 | C10 | C11 | C12 | 25.0° | 37.5° |
| C10 | N3 | C13 | C12 | 25.0° | 25.4° |
| C10 | N3 | C13 | H3 | 93.6° | 94.0° |
| C10 | N3 | C13 | H4 | 143.6° | 144.7° |
| N3 | C10 | H11 | H12 | 122.2° | 123.2° |
| N3 | C10 | C11 | H13 | 143.0° | 80.9° |
| N3 | C9 | C8 | C7 | 178.3° | 180.0° |
| C9 | N3 | C13 | C12 | 152.8° | 145.9° |
| C9 | N3 | C13 | H3 | 88.5° | 26.5° |
| C9 | N3 | C13 | H4 | 34.2° | 94.8° |
| N3 | C9 | C8 | H5 | 1.7° | 0.1° |
| C9 | N3 | C10 | H11 | 63.0° | 81.9° |
| C9 | N3 | C10 | H12 | 58.5° | 41.3° |
| C9 | C8 | C7 | H5 | 180.0° | 179.9° |
| C9 | C8 | C7 | C14 | 171.9° | 179.9° |
| C8 | C9 | N3 | C13 | 11.9° | 179.9° |
| O2 | C11 | C12 | H13 | 124.2° | 123.3° |
| O2 | C11 | C12 | C13 | 77.4° | 140.3° |
| O2 | C11 | C12 | O1 | 45.4° | 21.4° |
| O2 | C11 | C10 | H11 | 26.8° | 85.8° |
| O2 | C11 | C10 | H12 | 148.2° | 37.3° |
| O2 | C11 | C12 | H14 | 167.4° | 100.8° |
| C8 | C7 | C14 | F2 | 92.1° | 120.0° |
| C8 | C7 | C14 | F3 | 146.4° | 0.0° |
| C8 | C7 | C14 | F1 | 26.8° | 120.0° |
| C7 | C14 | F2 | F3 | 125.3° | 120.0° |
| C7 | C14 | F2 | F1 | 123.2° | 120.0° |
| C7 | C14 | F3 | F1 | 123.6° | 120.0° |
| C14 | C7 | C8 | H5 | 8.1° | 0.0° |
| C11 | C12 | C13 | N3 | 39.9° | 1.2° |
| C11 | C12 | C13 | O1 | 121.5° | 119.0° |
| C11 | C12 | C13 | H14 | 115.4° | 118.9° |
| C11 | C12 | O1 | H14 | 121.3° | 122.1° |
| C11 | C12 | C13 | H3 | 78.8° | 118.2° |
| C11 | C12 | C13 | H4 | 158.5° | 120.5° |
| C12 | C11 | C10 | H11 | 144.3° | 155.9° |
| C12 | C11 | C10 | H12 | 94.3° | 81.0° |
| C11 | C12 | O1 | H15 | 180.0° | 177.2° |
| C12 | C11 | O2 | H16 | 67.2° | 174.9° |
| N3 | C13 | C12 | H3 | 118.6° | 119.4° |
| N3 | C13 | C12 | H4 | 118.6° | 119.3° |
| N3 | C13 | C12 | O1 | 161.4° | 120.2° |
| N3 | C13 | H3 | H4 | 124.0° | 121.2° |
| C13 | N3 | C10 | H11 | 119.1° | 157.7° |
| C13 | N3 | C10 | H12 | 119.4° | 79.2° |
| N3 | C13 | C12 | H14 | 75.5° | 117.7° |
| F2 | C14 | F3 | F1 | 111.5° | 120.0° |
| C13 | C12 | O1 | H14 | 122.4° | 122.1° |
| C12 | C13 | H3 | H4 | 124.0° | 121.2° |
| C13 | C12 | C11 | H13 | 158.4° | 96.4° |
| C13 | C12 | O1 | H15 | 63.7° | 61.5° |
| O1 | C12 | C13 | H3 | 42.8° | 0.8° |
| O1 | C12 | C13 | H4 | 80.0° | 120.5° |
| O1 | C12 | C11 | H13 | 78.8° | 144.7° |
| H1 | C4 | C3 | H10 | 129.2° | 157.6° |
| H2 | C4 | C3 | H10 | 1.8° | 27.2° |
| H3 | C13 | C12 | H14 | 165.9° | 123.0° |
| H4 | C13 | C12 | H14 | 43.1° | 1.6° |
| H6 | C1 | H7 | H8 | 120.0° | 120.0° |
| H6 | C1 | C2 | H9 | 48.7° | 169.2° |
| H7 | C1 | C2 | H9 | 168.8° | 49.2° |
| H8 | C1 | C2 | H9 | 71.3° | 70.9° |
| H9 | C2 | C3 | H10 | 132.1° | 157.5° |
| H10 | C3 | O3 | H17 | 45.4° | 53.6° |
| H11 | C10 | C11 | H13 | 97.7° | 37.5° |
| H12 | C10 | C11 | H13 | 23.8° | 160.6° |
| H13 | C11 | C12 | H14 | 43.2° | 22.5° |
| H13 | C11 | O2 | H16 | 56.3° | 61.8° |
| H14 | C12 | O1 | H15 | 58.7° | 60.7° |
