WAM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C16 | doub | 1.38Å | 1.41Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.41Å | Aromatic |
| C16 | C11 | sing | 1.40Å | 1.41Å | Aromatic |
| O14 | C14 | sing | 1.36Å | 1.37Å | |
| C14 | C13 | doub | 1.39Å | 1.54Å | Aromatic |
| N19 | C19 | sing | 1.35Å | 1.32Å | |
| C11 | C10 | sing | 1.47Å | 1.49Å | |
| C11 | C12 | doub | 1.40Å | 1.41Å | Aromatic |
| C10 | C9 | doub | 1.34Å | 1.41Å | |
| C13 | C12 | sing | 1.38Å | 1.42Å | Aromatic |
| C13 | O13 | sing | 1.36Å | 1.33Å | |
| C19 | C4 | sing | 1.48Å | 1.44Å | |
| C19 | O19 | doub | 1.21Å | 1.23Å | |
| O13 | CM13 | sing | 1.43Å | 1.42Å | |
| C3 | C4 | doub | 1.39Å | 1.36Å | Aromatic |
| C3 | C2 | sing | 1.41Å | 1.35Å | Aromatic |
| C4 | C4A | sing | 1.46Å | 1.38Å | Aromatic |
| C9 | C2 | sing | 1.47Å | 1.37Å | |
| C5 | C4A | doub | 1.40Å | 1.43Å | Aromatic |
| C5 | C6 | sing | 1.36Å | 1.40Å | Aromatic |
| C2 | N1 | doub | 1.32Å | 1.39Å | Aromatic |
| C4A | C8A | sing | 1.42Å | 1.46Å | Aromatic |
| C6 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.36Å | 1.40Å | Aromatic |
| C8A | C8 | doub | 1.41Å | 1.41Å | Aromatic |
| C8A | N1 | sing | 1.33Å | 1.41Å | Aromatic |
| N1 | C1 | sing | 1.46Å | 1.49Å | |
| C1 | HM12 | sing | 1.09Å | 1.10Å | |
| C1 | HM11 | sing | 1.09Å | 1.10Å | |
| C1 | HM13 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| N19 | H192 | sing | 0.97Å | 1.00Å | |
| N19 | H191 | sing | 0.97Å | 1.00Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| O14 | H14 | sing | 0.97Å | 0.95Å | |
| CM13 | H132 | sing | 1.09Å | 1.10Å | |
| CM13 | H133 | sing | 1.09Å | 1.10Å | |
| CM13 | H131 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C15 | C14 | 121.4° | 120.1° |
| C15 | C16 | C11 | 122.3° | 120.0° |
| C15 | C16 | H16 | 118.9° | 120.0° |
| C16 | C15 | H15 | 119.3° | 119.9° |
| C15 | C14 | O14 | 121.0° | 119.9° |
| C15 | C14 | C13 | 116.8° | 120.2° |
| C14 | C15 | H15 | 119.3° | 119.9° |
| C16 | C11 | C10 | 117.0° | 120.1° |
| C16 | C11 | C12 | 119.6° | 119.8° |
| C11 | C16 | H16 | 118.9° | 120.0° |
| O14 | C14 | C13 | 122.2° | 119.9° |
| C14 | O14 | H14 | 109.5° | 114.0° |
| C14 | C13 | C12 | 118.8° | 120.0° |
| C14 | C13 | O13 | 115.0° | 120.0° |
| N19 | C19 | C4 | 119.9° | 120.0° |
| N19 | C19 | O19 | 116.5° | 120.0° |
| C19 | N19 | H192 | 120.0° | 120.0° |
| C19 | N19 | H191 | 120.0° | 120.0° |
| C10 | C11 | C12 | 123.4° | 120.1° |
| C11 | C10 | C9 | 123.6° | 120.0° |
| C11 | C10 | H10 | 118.2° | 120.0° |
| C11 | C12 | C13 | 121.1° | 119.8° |
| C11 | C12 | H12 | 119.4° | 120.1° |
| C10 | C9 | C2 | 125.4° | 120.0° |
| C10 | C9 | H9 | 117.3° | 120.0° |
| C9 | C10 | H10 | 118.2° | 120.0° |
| C12 | C13 | O13 | 126.1° | 120.0° |
| C13 | C12 | H12 | 119.4° | 120.1° |
| C13 | O13 | CM13 | 122.5° | 117.0° |
| C4 | C19 | O19 | 123.5° | 120.1° |
| C19 | C4 | C3 | 120.3° | 121.4° |
| C19 | C4 | C4A | 124.6° | 121.3° |
| O13 | CM13 | H132 | 109.5° | 109.4° |
| O13 | CM13 | H133 | 109.5° | 109.5° |
| O13 | CM13 | H131 | 109.5° | 109.5° |
| C4 | C3 | C2 | 125.7° | 119.4° |
| C3 | C4 | C4A | 115.0° | 117.3° |
| C4 | C3 | H3 | 117.2° | 120.3° |
| C3 | C2 | C9 | 125.3° | 118.9° |
| C3 | C2 | N1 | 116.5° | 122.2° |
| C2 | C3 | H3 | 117.2° | 120.4° |
| C4 | C4A | C5 | 123.1° | 121.5° |
| C4 | C4A | C8A | 123.8° | 118.8° |
| C9 | C2 | N1 | 118.1° | 118.9° |
| C2 | C9 | H9 | 117.3° | 120.0° |
| C4A | C5 | C6 | 124.5° | 119.7° |
| C5 | C4A | C8A | 112.8° | 119.8° |
| C4A | C5 | H5 | 117.8° | 120.2° |
| C5 | C6 | C7 | 120.4° | 120.8° |
| C6 | C5 | H5 | 117.8° | 120.2° |
| C5 | C6 | H6 | 119.8° | 119.6° |
| C2 | N1 | C8A | 120.9° | 122.3° |
| C2 | N1 | C1 | 122.5° | 118.9° |
| C4A | C8A | C8 | 122.2° | 119.0° |
| C4A | C8A | N1 | 112.4° | 120.0° |
| C6 | C7 | C8 | 118.5° | 121.1° |
| C6 | C7 | H7 | 120.8° | 119.5° |
| C7 | C6 | H6 | 119.8° | 119.6° |
| C7 | C8 | C8A | 121.5° | 119.7° |
| C7 | C8 | H8 | 119.3° | 120.1° |
| C8 | C7 | H7 | 120.7° | 119.5° |
| C8 | C8A | N1 | 125.5° | 121.0° |
| C8A | C8 | H8 | 119.2° | 120.2° |
| C8A | N1 | C1 | 116.6° | 118.9° |
| N1 | C1 | HM12 | 109.5° | 109.4° |
| N1 | C1 | HM11 | 109.5° | 109.5° |
| N1 | C1 | HM13 | 109.5° | 109.5° |
| HM12 | C1 | HM11 | 109.5° | 109.5° |
| HM12 | C1 | HM13 | 109.4° | 109.5° |
| HM11 | C1 | HM13 | 109.5° | 109.5° |
| H192 | N19 | H191 | 120.0° | 120.0° |
| H132 | CM13 | H133 | 109.4° | 109.5° |
| H132 | CM13 | H131 | 109.5° | 109.5° |
| H133 | CM13 | H131 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C15 | C14 | H15 | 180.0° | 180.0° |
| C15 | C16 | C11 | H16 | 180.0° | 179.9° |
| C16 | C15 | C14 | O14 | 178.8° | 179.9° |
| C16 | C15 | C14 | C13 | 0.9° | 0.3° |
| C15 | C16 | C11 | C10 | 177.6° | 180.0° |
| C15 | C16 | C11 | C12 | 1.6° | 0.3° |
| C14 | C15 | C16 | C11 | 0.4° | 0.0° |
| C15 | C14 | O14 | C13 | 179.7° | 179.8° |
| C15 | C14 | C13 | C12 | 1.1° | 0.2° |
| C15 | C14 | C13 | O13 | 179.4° | 179.7° |
| C14 | C15 | C16 | H16 | 179.6° | 180.0° |
| C15 | C14 | O14 | H14 | 180.0° | 89.9° |
| C16 | C11 | C10 | C12 | 179.1° | 179.7° |
| C16 | C11 | C10 | C9 | 178.4° | 0.3° |
| C16 | C11 | C12 | C13 | 1.4° | 0.3° |
| C16 | C11 | C10 | H10 | 1.6° | 179.7° |
| C16 | C11 | C12 | H12 | 178.6° | 179.7° |
| C11 | C16 | C15 | H15 | 179.6° | 180.0° |
| O14 | C14 | C13 | C12 | 178.7° | 180.0° |
| O14 | C14 | C13 | O13 | 0.9° | 0.1° |
| O14 | C14 | C15 | H15 | 1.2° | 0.1° |
| C14 | C13 | C12 | C11 | 0.1° | 0.1° |
| C14 | C13 | C12 | O13 | 179.5° | 179.9° |
| C14 | C13 | O13 | CM13 | 179.0° | 180.0° |
| C14 | C13 | C12 | H12 | 180.0° | 180.0° |
| C13 | C14 | C15 | H15 | 179.1° | 179.7° |
| C13 | C14 | O14 | H14 | 0.3° | 90.3° |
| N19 | C19 | C4 | O19 | 176.8° | 179.9° |
| N19 | C19 | C4 | C3 | 19.4° | 5.8° |
| N19 | C19 | C4 | C4A | 156.8° | 174.3° |
| C19 | N19 | H192 | H191 | 180.0° | 179.9° |
| C11 | C10 | C9 | H10 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 177.7° | 180.0° |
| C11 | C10 | C9 | C2 | 179.6° | 174.9° |
| C11 | C10 | C9 | H9 | 0.4° | 5.2° |
| C10 | C11 | C12 | H12 | 2.2° | 0.0° |
| C10 | C11 | C16 | H16 | 2.4° | 0.1° |
| C12 | C11 | C10 | C9 | 0.7° | 180.0° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C11 | C12 | C13 | O13 | 179.4° | 180.0° |
| C12 | C11 | C10 | H10 | 179.2° | 0.0° |
| C12 | C11 | C16 | H16 | 178.4° | 179.6° |
| C10 | C9 | C2 | C3 | 1.0° | 5.0° |
| C10 | C9 | C2 | H9 | 180.0° | 180.0° |
| C10 | C9 | C2 | N1 | 178.0° | 175.3° |
| C12 | C13 | O13 | CM13 | 1.4° | 0.1° |
| O13 | C13 | C12 | H12 | 0.5° | 0.1° |
| C13 | O13 | CM13 | H132 | 180.0° | 60.0° |
| C13 | O13 | CM13 | H133 | 60.0° | 179.9° |
| C13 | O13 | CM13 | H131 | 60.0° | 59.9° |
| C19 | C4 | C3 | C4A | 176.5° | 179.9° |
| C19 | C4 | C3 | C2 | 174.2° | 179.9° |
| C19 | C4 | C4A | C5 | 9.9° | 0.1° |
| C19 | C4 | C4A | C8A | 176.2° | 180.0° |
| C19 | C4 | C3 | H3 | 5.8° | 0.0° |
| C4 | C19 | N19 | H192 | 177.0° | 0.0° |
| C4 | C19 | N19 | H191 | 3.0° | 180.0° |
| O19 | C19 | C4 | C3 | 157.4° | 174.3° |
| O19 | C19 | C4 | C4A | 26.4° | 5.6° |
| O19 | C19 | N19 | H192 | 0.0° | 180.0° |
| O19 | C19 | N19 | H191 | 180.0° | 0.1° |
| O13 | CM13 | H132 | H133 | 120.0° | 120.0° |
| O13 | CM13 | H132 | H131 | 120.0° | 120.0° |
| O13 | CM13 | H133 | H131 | 120.0° | 120.0° |
| C4 | C3 | C2 | H3 | 180.0° | 179.9° |
| C4 | C3 | C2 | C9 | 176.4° | 179.7° |
| C3 | C4 | C4A | C5 | 166.5° | 180.0° |
| C4 | C3 | C2 | N1 | 6.6° | 0.0° |
| C3 | C4 | C4A | C8A | 7.5° | 0.1° |
| C2 | C3 | C4 | C4A | 9.3° | 0.0° |
| C3 | C2 | C9 | N1 | 177.0° | 179.7° |
| C3 | C2 | N1 | C8A | 25.8° | 0.0° |
| C3 | C2 | N1 | C1 | 152.8° | 179.9° |
| C3 | C2 | C9 | H9 | 179.0° | 175.0° |
| C4 | C4A | C5 | C8A | 174.5° | 180.0° |
| C4 | C4A | C5 | C6 | 174.4° | 180.0° |
| C4 | C4A | C8A | C8 | 172.2° | 180.0° |
| C4 | C4A | C8A | N1 | 9.3° | 0.1° |
| C4A | C4 | C3 | H3 | 170.7° | 179.9° |
| C4 | C4A | C5 | H5 | 5.6° | 0.0° |
| C9 | C2 | N1 | C8A | 157.0° | 179.7° |
| C9 | C2 | N1 | C1 | 24.4° | 0.2° |
| C9 | C2 | C3 | H3 | 3.6° | 0.4° |
| C2 | C9 | C10 | H10 | 0.5° | 5.1° |
| C4A | C5 | C6 | H5 | 180.0° | 180.0° |
| C4A | C5 | C6 | C7 | 2.0° | 0.1° |
| C5 | C4A | C8A | C8 | 2.3° | 0.0° |
| C5 | C4A | C8A | N1 | 176.2° | 179.9° |
| C4A | C5 | C6 | H6 | 178.0° | 180.0° |
| C6 | C5 | C4A | C8A | 0.1° | 0.1° |
| C5 | C6 | C7 | H6 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 1.8° | 0.1° |
| C5 | C6 | C7 | H7 | 178.2° | 179.9° |
| C2 | N1 | C8A | C4A | 26.2° | 0.1° |
| C2 | N1 | C8A | C8 | 155.3° | 180.0° |
| C2 | N1 | C8A | C1 | 178.7° | 179.9° |
| C2 | N1 | C1 | HM12 | 180.0° | 85.1° |
| C2 | N1 | C1 | HM11 | 60.0° | 154.9° |
| C2 | N1 | C1 | HM13 | 60.0° | 34.9° |
| N1 | C2 | C3 | H3 | 173.4° | 179.9° |
| N1 | C2 | C9 | H9 | 2.0° | 4.7° |
| C4A | C8A | C8 | C7 | 2.5° | 0.0° |
| C4A | C8A | C8 | N1 | 178.3° | 179.9° |
| C4A | C8A | N1 | C1 | 152.5° | 180.0° |
| C4A | C8A | C8 | H8 | 177.5° | 180.0° |
| C8A | C4A | C5 | H5 | 179.9° | 180.0° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C8A | 0.4° | 0.1° |
| C6 | C7 | C8 | H8 | 179.6° | 180.0° |
| C7 | C6 | C5 | H5 | 178.0° | 179.9° |
| C7 | C8 | C8A | H8 | 180.0° | 180.0° |
| C7 | C8 | C8A | N1 | 175.8° | 179.9° |
| C8 | C7 | C6 | H6 | 178.2° | 180.0° |
| C8 | C8A | N1 | C1 | 26.0° | 0.1° |
| C8A | C8 | C7 | H7 | 179.6° | 179.9° |
| C8A | N1 | C1 | HM12 | 1.4° | 94.9° |
| C8A | N1 | C1 | HM11 | 118.7° | 25.0° |
| C8A | N1 | C1 | HM13 | 121.3° | 145.0° |
| N1 | C8A | C8 | H8 | 4.2° | 0.1° |
| N1 | C1 | HM12 | HM11 | 120.0° | 120.0° |
| N1 | C1 | HM12 | HM13 | 120.0° | 120.0° |
| N1 | C1 | HM11 | HM13 | 120.0° | 120.0° |
| HM12 | C1 | HM11 | HM13 | 120.0° | 120.0° |
| H8 | C8 | C7 | H7 | 0.3° | 0.0° |
| H5 | C5 | C6 | H6 | 2.0° | 0.0° |
| H9 | C9 | C10 | H10 | 179.5° | 174.8° |
| H7 | C7 | C6 | H6 | 1.8° | 0.0° |
| H16 | C16 | C15 | H15 | 0.4° | 0.0° |
| H132 | CM13 | H133 | H131 | 120.0° | 120.0° |
