A1CP3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N17 | C16 | doub | 1.30Å | 1.33Å | Aromatic |
| N17 | C18 | sing | 1.36Å | 1.37Å | Aromatic |
| C19 | C18 | doub | 1.40Å | 1.43Å | Aromatic |
| C19 | C20 | sing | 1.37Å | 1.41Å | Aromatic |
| C16 | N15 | sing | 1.36Å | 1.35Å | Aromatic |
| C18 | C23 | sing | 1.41Å | 1.38Å | Aromatic |
| C20 | C21 | doub | 1.39Å | 1.41Å | Aromatic |
| N15 | C23 | sing | 1.38Å | 1.37Å | Aromatic |
| N15 | C14 | sing | 1.46Å | 1.48Å | |
| C23 | C22 | doub | 1.39Å | 1.43Å | Aromatic |
| C13 | C12 | sing | 1.54Å | 1.37Å | |
| C13 | C14 | sing | 1.55Å | 1.56Å | |
| C12 | N11 | sing | 1.47Å | 1.64Å | |
| C21 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C24 | sing | 1.55Å | 1.58Å | |
| C24 | N11 | sing | 1.48Å | 1.32Å | |
| N11 | C09 | sing | 1.35Å | 1.47Å | |
| C07 | C06 | sing | 1.42Å | 1.45Å | Aromatic |
| C07 | C08 | doub | 1.36Å | 1.40Å | Aromatic |
| C05 | C06 | doub | 1.40Å | 1.43Å | Aromatic |
| C05 | C04 | sing | 1.36Å | 1.42Å | Aromatic |
| C06 | C26 | sing | 1.41Å | 1.37Å | Aromatic |
| C09 | C08 | sing | 1.47Å | 1.55Å | |
| C09 | O10 | doub | 1.22Å | 1.18Å | |
| C08 | N25 | sing | 1.38Å | 1.34Å | Aromatic |
| C04 | C03 | doub | 1.39Å | 1.40Å | Aromatic |
| C26 | N25 | sing | 1.38Å | 1.37Å | Aromatic |
| C26 | C27 | doub | 1.39Å | 1.44Å | Aromatic |
| C03 | C27 | sing | 1.38Å | 1.41Å | Aromatic |
| C03 | O02 | sing | 1.36Å | 1.43Å | |
| O02 | C01 | sing | 1.43Å | 1.42Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.08Å | 1.08Å | |
| C21 | H4 | sing | 1.08Å | 1.08Å | |
| C22 | H5 | sing | 1.08Å | 1.08Å | |
| C24 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C04 | H11 | sing | 1.08Å | 1.08Å | |
| C05 | H12 | sing | 1.08Å | 1.08Å | |
| C07 | H13 | sing | 1.08Å | 1.08Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| C19 | H18 | sing | 1.08Å | 1.08Å | |
| C27 | H19 | sing | 1.08Å | 1.08Å | |
| N25 | H20 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | N17 | C18 | 108.2° | 109.6° |
| N17 | C16 | N15 | 109.5° | 110.1° |
| N17 | C16 | H17 | 125.2° | 124.9° |
| N17 | C18 | C19 | 133.3° | 133.6° |
| N17 | C18 | C23 | 106.9° | 106.9° |
| C18 | C19 | C20 | 120.0° | 119.9° |
| C19 | C18 | C23 | 119.7° | 119.5° |
| C18 | C19 | H18 | 120.0° | 120.0° |
| C19 | C20 | C21 | 120.2° | 120.7° |
| C19 | C20 | H3 | 119.9° | 119.6° |
| C20 | C19 | H18 | 120.0° | 120.1° |
| C16 | N15 | C23 | 107.8° | 107.3° |
| C16 | N15 | C14 | 130.3° | 126.4° |
| N15 | C16 | H17 | 125.2° | 125.0° |
| C18 | C23 | N15 | 107.4° | 106.0° |
| C18 | C23 | C22 | 120.3° | 119.8° |
| C20 | C21 | C22 | 119.8° | 120.5° |
| C21 | C20 | H3 | 119.9° | 119.7° |
| C20 | C21 | H4 | 120.1° | 119.7° |
| C23 | N15 | C14 | 121.8° | 126.3° |
| N15 | C23 | C22 | 132.2° | 134.2° |
| N15 | C14 | C13 | 85.0° | 111.0° |
| N15 | C14 | C24 | 137.0° | 111.0° |
| N15 | C14 | H16 | 108.2° | 111.0° |
| C23 | C22 | C21 | 119.9° | 119.7° |
| C23 | C22 | H5 | 120.1° | 120.2° |
| C12 | C13 | C14 | 105.9° | 103.0° |
| C13 | C12 | N11 | 109.3° | 107.3° |
| C12 | C13 | H1 | 110.4° | 110.7° |
| C12 | C13 | H2 | 110.4° | 110.7° |
| C13 | C12 | H14 | 109.5° | 109.9° |
| C13 | C12 | H15 | 109.5° | 109.9° |
| C13 | C14 | C24 | 107.0° | 101.5° |
| C14 | C13 | H1 | 110.3° | 110.8° |
| C14 | C13 | H2 | 110.4° | 110.7° |
| C13 | C14 | H16 | 107.2° | 111.0° |
| C12 | N11 | C24 | 108.6° | 108.7° |
| C12 | N11 | C09 | 130.3° | 125.7° |
| N11 | C12 | H14 | 109.5° | 109.9° |
| N11 | C12 | H15 | 109.5° | 109.8° |
| C22 | C21 | H4 | 120.1° | 119.8° |
| C21 | C22 | H5 | 120.0° | 120.1° |
| C14 | C24 | N11 | 107.1° | 104.8° |
| C14 | C24 | H6 | 110.1° | 110.4° |
| C14 | C24 | H7 | 110.1° | 110.4° |
| C24 | C14 | H16 | 107.1° | 111.0° |
| C24 | N11 | C09 | 121.1° | 125.6° |
| N11 | C24 | H6 | 110.1° | 110.4° |
| N11 | C24 | H7 | 110.1° | 110.3° |
| N11 | C09 | C08 | 125.0° | 120.0° |
| N11 | C09 | O10 | 116.9° | 120.0° |
| C06 | C07 | C08 | 105.3° | 107.8° |
| C07 | C06 | C05 | 132.9° | 133.2° |
| C07 | C06 | C26 | 107.1° | 107.0° |
| C06 | C07 | H13 | 127.3° | 126.1° |
| C07 | C08 | C09 | 127.9° | 125.4° |
| C07 | C08 | N25 | 109.1° | 109.1° |
| C08 | C07 | H13 | 127.4° | 126.1° |
| C06 | C05 | C04 | 119.5° | 119.9° |
| C05 | C06 | C26 | 120.0° | 119.8° |
| C06 | C05 | H12 | 120.2° | 120.1° |
| C05 | C04 | C03 | 120.5° | 120.5° |
| C05 | C04 | H11 | 119.8° | 119.7° |
| C04 | C05 | H12 | 120.3° | 120.0° |
| C06 | C26 | N25 | 108.5° | 107.4° |
| C06 | C26 | C27 | 120.9° | 119.5° |
| C08 | C09 | O10 | 118.1° | 120.0° |
| C09 | C08 | N25 | 123.0° | 125.4° |
| C08 | N25 | C26 | 110.0° | 108.7° |
| C08 | N25 | H20 | 125.0° | 125.7° |
| C04 | C03 | C27 | 120.0° | 120.5° |
| C04 | C03 | O02 | 119.3° | 119.7° |
| C03 | C04 | H11 | 119.7° | 119.8° |
| N25 | C26 | C27 | 130.7° | 133.2° |
| C26 | N25 | H20 | 125.0° | 125.6° |
| C26 | C27 | C03 | 119.2° | 119.8° |
| C26 | C27 | H19 | 120.4° | 120.1° |
| C27 | C03 | O02 | 120.8° | 119.8° |
| C03 | C27 | H19 | 120.4° | 120.1° |
| C03 | O02 | C01 | 115.8° | 117.0° |
| O02 | C01 | H8 | 109.5° | 109.5° |
| O02 | C01 | H9 | 109.5° | 109.5° |
| O02 | C01 | H10 | 109.5° | 109.5° |
| H1 | C13 | H2 | 109.5° | 110.8° |
| H6 | C24 | H7 | 109.4° | 110.3° |
| H8 | C01 | H9 | 109.5° | 109.5° |
| H8 | C01 | H10 | 109.5° | 109.5° |
| H9 | C01 | H10 | 109.4° | 109.4° |
| H14 | C12 | H15 | 109.5° | 110.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | N17 | C18 | C19 | 179.8° | 180.0° |
| N17 | C16 | N15 | H17 | 180.0° | 180.0° |
| C16 | N17 | C18 | C23 | 0.3° | 0.0° |
| N17 | C16 | N15 | C23 | 1.7° | 0.1° |
| N17 | C16 | N15 | C14 | 178.2° | 180.0° |
| N17 | C18 | C19 | C23 | 179.9° | 180.0° |
| N17 | C18 | C19 | C20 | 180.0° | 179.4° |
| C18 | N17 | C16 | N15 | 1.2° | 0.1° |
| N17 | C18 | C23 | N15 | 0.7° | 0.0° |
| N17 | C18 | C23 | C22 | 179.9° | 179.2° |
| C18 | N17 | C16 | H17 | 178.7° | 180.0° |
| N17 | C18 | C19 | H18 | 0.1° | 0.0° |
| C18 | C19 | C20 | H18 | 180.0° | 179.5° |
| C18 | C19 | C20 | C21 | 0.0° | 0.0° |
| C19 | C18 | C23 | N15 | 179.2° | 179.9° |
| C19 | C18 | C23 | C22 | 0.2° | 0.8° |
| C18 | C19 | C20 | H3 | 180.0° | 179.8° |
| C20 | C19 | C18 | C23 | 0.1° | 0.5° |
| C19 | C20 | C21 | H3 | 180.0° | 179.8° |
| C19 | C20 | C21 | C22 | 0.0° | 0.3° |
| C19 | C20 | C21 | H4 | 180.0° | 179.8° |
| C16 | N15 | C23 | C18 | 1.4° | 0.1° |
| C16 | N15 | C23 | C14 | 176.9° | 179.9° |
| C16 | N15 | C23 | C22 | 179.3° | 179.1° |
| C16 | N15 | C14 | C13 | 35.9° | 60.0° |
| C16 | N15 | C14 | C24 | 73.9° | 52.2° |
| C16 | N15 | C14 | H16 | 142.4° | 176.1° |
| C18 | C23 | N15 | C22 | 179.3° | 179.0° |
| C18 | C23 | N15 | C14 | 178.3° | 180.0° |
| C18 | C23 | C22 | C21 | 0.2° | 0.5° |
| C18 | C23 | C22 | H5 | 179.8° | 179.5° |
| C23 | C18 | C19 | H18 | 179.9° | 180.0° |
| C20 | C21 | C22 | C23 | 0.1° | 0.0° |
| C20 | C21 | C22 | H4 | 180.0° | 179.9° |
| C20 | C21 | C22 | H5 | 179.9° | 180.0° |
| C21 | C20 | C19 | H18 | 180.0° | 179.5° |
| C23 | N15 | C14 | C13 | 148.0° | 120.1° |
| N15 | C23 | C22 | C21 | 179.1° | 179.4° |
| C23 | N15 | C14 | C24 | 102.2° | 127.8° |
| N15 | C23 | C22 | H5 | 0.9° | 0.6° |
| C23 | N15 | C14 | H16 | 41.5° | 3.9° |
| C23 | N15 | C16 | H17 | 178.3° | 179.9° |
| C14 | N15 | C23 | C22 | 2.4° | 1.0° |
| N15 | C14 | C13 | C12 | 145.2° | 153.6° |
| N15 | C14 | C13 | C24 | 137.8° | 118.0° |
| N15 | C14 | C13 | H16 | 107.6° | 123.9° |
| N15 | C14 | C24 | H16 | 144.0° | 123.9° |
| N15 | C14 | C24 | N11 | 115.4° | 155.1° |
| N15 | C14 | C13 | H1 | 25.8° | 35.1° |
| N15 | C14 | C13 | H2 | 95.3° | 88.1° |
| N15 | C14 | C24 | H6 | 4.2° | 36.2° |
| N15 | C14 | C24 | H7 | 124.9° | 86.1° |
| C14 | N15 | C16 | H17 | 1.8° | 0.0° |
| C23 | C22 | C21 | H5 | 180.0° | 180.0° |
| C23 | C22 | C21 | H4 | 179.9° | 179.9° |
| C12 | C13 | C14 | H1 | 119.4° | 118.4° |
| C12 | C13 | C14 | H2 | 119.5° | 118.4° |
| C13 | C12 | N11 | H14 | 120.0° | 119.4° |
| C13 | C12 | N11 | H15 | 120.0° | 119.4° |
| C12 | C13 | C14 | C24 | 7.4° | 35.5° |
| C13 | C12 | N11 | C24 | 10.2° | 1.1° |
| C13 | C12 | N11 | C09 | 170.2° | 178.9° |
| C12 | C13 | H1 | H2 | 121.7° | 123.2° |
| C13 | C12 | H14 | H15 | 120.1° | 121.1° |
| C12 | C13 | C14 | H16 | 107.2° | 82.5° |
| C14 | C13 | C12 | N11 | 0.7° | 22.2° |
| C13 | C14 | C24 | H16 | 114.7° | 118.1° |
| C13 | C14 | C24 | N11 | 14.1° | 37.0° |
| C14 | C13 | H1 | H2 | 121.6° | 123.2° |
| C13 | C14 | C24 | H6 | 105.5° | 81.8° |
| C13 | C14 | C24 | H7 | 133.8° | 155.9° |
| C14 | C13 | C12 | H14 | 120.6° | 97.2° |
| C14 | C13 | C12 | H15 | 119.3° | 141.6° |
| C12 | N11 | C24 | C14 | 14.2° | 24.2° |
| C12 | N11 | C24 | C09 | 179.7° | 180.0° |
| C12 | N11 | C09 | C08 | 0.1° | 0.1° |
| C12 | N11 | C09 | O10 | 179.6° | 180.0° |
| N11 | C12 | C13 | H1 | 120.1° | 96.2° |
| N11 | C12 | C13 | H2 | 118.8° | 140.5° |
| C12 | N11 | C24 | H6 | 105.5° | 94.7° |
| C12 | N11 | C24 | H7 | 133.8° | 143.1° |
| N11 | C12 | H14 | H15 | 120.1° | 121.1° |
| C22 | C21 | C20 | H3 | 180.0° | 179.9° |
| C14 | C24 | N11 | H6 | 119.6° | 118.9° |
| C14 | C24 | N11 | H7 | 119.6° | 118.9° |
| C14 | C24 | N11 | C09 | 166.1° | 155.8° |
| C24 | C14 | C13 | H1 | 112.0° | 82.9° |
| C24 | C14 | C13 | H2 | 126.9° | 153.9° |
| C14 | C24 | H6 | H7 | 121.1° | 122.4° |
| C24 | N11 | C09 | C08 | 179.7° | 179.9° |
| C24 | N11 | C09 | O10 | 0.0° | 0.0° |
| N11 | C24 | H6 | H7 | 121.1° | 122.2° |
| C24 | N11 | C12 | H14 | 130.1° | 120.5° |
| C24 | N11 | C12 | H15 | 109.8° | 118.3° |
| N11 | C24 | C14 | H16 | 100.6° | 81.0° |
| N11 | C09 | C08 | C07 | 0.1° | 180.0° |
| N11 | C09 | C08 | O10 | 179.7° | 180.0° |
| N11 | C09 | C08 | N25 | 179.8° | 0.0° |
| C09 | N11 | C24 | H6 | 74.2° | 85.3° |
| C09 | N11 | C24 | H7 | 46.5° | 37.0° |
| C09 | N11 | C12 | H14 | 50.2° | 59.5° |
| C09 | N11 | C12 | H15 | 69.8° | 61.7° |
| C06 | C07 | C08 | H13 | 180.0° | 179.9° |
| C07 | C06 | C05 | C26 | 180.0° | 180.0° |
| C07 | C06 | C05 | C04 | 179.9° | 179.9° |
| C06 | C07 | C08 | C09 | 179.9° | 180.0° |
| C06 | C07 | C08 | N25 | 0.0° | 0.1° |
| C07 | C06 | C26 | N25 | 0.1° | 0.0° |
| C07 | C06 | C26 | C27 | 179.9° | 179.7° |
| C07 | C06 | C05 | H12 | 0.1° | 0.0° |
| C08 | C07 | C06 | C05 | 180.0° | 179.9° |
| C08 | C07 | C06 | C26 | 0.0° | 0.0° |
| C07 | C08 | C09 | N25 | 179.9° | 179.9° |
| C07 | C08 | C09 | O10 | 179.9° | 0.1° |
| C07 | C08 | N25 | C26 | 0.1° | 0.1° |
| C07 | C08 | N25 | H20 | 179.9° | 179.7° |
| C06 | C05 | C04 | H12 | 180.0° | 179.9° |
| C06 | C05 | C04 | C03 | 0.1° | 0.4° |
| C05 | C06 | C26 | N25 | 179.9° | 180.0° |
| C05 | C06 | C26 | C27 | 0.1° | 0.3° |
| C06 | C05 | C04 | H11 | 179.9° | 180.0° |
| C05 | C06 | C07 | H13 | 0.0° | 0.0° |
| C04 | C05 | C06 | C26 | 0.1° | 0.1° |
| C05 | C04 | C03 | H11 | 180.0° | 179.6° |
| C05 | C04 | C03 | C27 | 0.2° | 0.4° |
| C05 | C04 | C03 | O02 | 180.0° | 179.6° |
| C06 | C26 | N25 | C08 | 0.1° | 0.0° |
| C06 | C26 | N25 | C27 | 180.0° | 179.7° |
| C06 | C26 | C27 | C03 | 0.1° | 0.3° |
| C26 | C06 | C05 | H12 | 179.9° | 180.0° |
| C26 | C06 | C07 | H13 | 180.0° | 180.0° |
| C06 | C26 | C27 | H19 | 179.9° | 179.7° |
| C06 | C26 | N25 | H20 | 179.9° | 179.8° |
| C09 | C08 | N25 | C26 | 179.9° | 180.0° |
| C09 | C08 | C07 | H13 | 0.1° | 0.1° |
| C09 | C08 | N25 | H20 | 0.1° | 0.2° |
| O10 | C09 | C08 | N25 | 0.1° | 180.0° |
| C08 | N25 | C26 | H20 | 180.0° | 179.8° |
| C08 | N25 | C26 | C27 | 179.9° | 179.7° |
| N25 | C08 | C07 | H13 | 180.0° | 180.0° |
| C04 | C03 | C27 | C26 | 0.1° | 0.0° |
| C04 | C03 | C27 | O02 | 179.9° | 180.0° |
| C04 | C03 | O02 | C01 | 179.4° | 0.0° |
| C03 | C04 | C05 | H12 | 179.9° | 179.7° |
| C04 | C03 | C27 | H19 | 179.8° | 180.0° |
| N25 | C26 | C27 | C03 | 179.9° | 180.0° |
| N25 | C26 | C27 | H19 | 0.1° | 0.0° |
| C26 | C27 | C03 | H19 | 180.0° | 180.0° |
| C26 | C27 | C03 | O02 | 180.0° | 180.0° |
| C27 | C26 | N25 | H20 | 0.1° | 0.1° |
| C27 | C03 | O02 | C01 | 0.5° | 180.0° |
| C27 | C03 | C04 | H11 | 179.8° | 180.0° |
| C03 | O02 | C01 | H8 | 180.0° | 60.0° |
| C03 | O02 | C01 | H9 | 60.0° | 60.0° |
| C03 | O02 | C01 | H10 | 60.0° | 180.0° |
| O02 | C03 | C04 | H11 | 0.1° | 0.0° |
| O02 | C03 | C27 | H19 | 0.0° | 0.0° |
| O02 | C01 | H8 | H9 | 120.0° | 120.0° |
| O02 | C01 | H8 | H10 | 120.0° | 120.0° |
| O02 | C01 | H9 | H10 | 120.0° | 120.0° |
| H1 | C13 | C12 | H14 | 119.9° | 144.4° |
| H1 | C13 | C12 | H15 | 0.1° | 23.1° |
| H1 | C13 | C14 | H16 | 133.4° | 159.1° |
| H2 | C13 | C12 | H14 | 1.2° | 21.1° |
| H2 | C13 | C12 | H15 | 121.3° | 100.1° |
| H2 | C13 | C14 | H16 | 12.3° | 35.8° |
| H3 | C20 | C21 | H4 | 0.0° | 0.1° |
| H3 | C20 | C19 | H18 | 0.0° | 0.3° |
| H4 | C21 | C22 | H5 | 0.1° | 0.1° |
| H6 | C24 | C14 | H16 | 139.8° | 160.1° |
| H7 | C24 | C14 | H16 | 19.1° | 37.8° |
| H8 | C01 | H9 | H10 | 120.0° | 120.0° |
| H11 | C04 | C05 | H12 | 0.1° | 0.1° |
