KP3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O8 | C31 | sing | 1.43Å | 1.43Å | |
| C41 | N6 | doub | 1.32Å | 1.33Å | Aromatic |
| C41 | N7 | sing | 1.32Å | 1.35Å | Aromatic |
| N6 | C39 | sing | 1.33Å | 1.36Å | Aromatic |
| N7 | C43 | doub | 1.33Å | 1.35Å | Aromatic |
| C31 | C30 | sing | 1.55Å | 1.52Å | |
| C31 | C32 | sing | 1.55Å | 1.51Å | |
| C30 | N4 | sing | 1.46Å | 1.48Å | |
| C30 | O6 | sing | 1.44Å | 1.42Å | |
| C39 | N4 | sing | 1.37Å | 1.34Å | Aromatic |
| C39 | C38 | doub | 1.41Å | 1.39Å | Aromatic |
| N4 | C36 | sing | 1.36Å | 1.35Å | Aromatic |
| C43 | C38 | sing | 1.41Å | 1.47Å | Aromatic |
| C43 | N8 | sing | 1.38Å | 1.36Å | |
| O6 | C28 | sing | 1.44Å | 1.43Å | |
| O7 | C32 | sing | 1.43Å | 1.43Å | |
| C32 | C28 | sing | 1.54Å | 1.52Å | |
| C38 | N5 | sing | 1.36Å | 1.35Å | Aromatic |
| C28 | C27 | sing | 1.53Å | 1.52Å | |
| C36 | N5 | doub | 1.30Å | 1.36Å | Aromatic |
| C27 | O5 | sing | 1.43Å | 1.43Å | |
| O5 | C25 | sing | 1.43Å | 1.43Å | |
| O1 | C9 | sing | 1.45Å | 1.46Å | |
| O1 | C7 | sing | 1.34Å | 1.45Å | |
| C9 | C5 | sing | 1.51Å | 1.52Å | |
| N3 | C23 | sing | 1.34Å | 1.36Å | Aromatic |
| N3 | N2 | doub | 1.29Å | 1.40Å | Aromatic |
| O2 | C7 | doub | 1.22Å | 1.21Å | |
| C7 | C6 | sing | 1.47Å | 1.49Å | |
| C25 | C23 | sing | 1.51Å | 1.51Å | |
| C5 | C6 | doub | 1.40Å | 1.45Å | Aromatic |
| C5 | C4 | sing | 1.37Å | 1.38Å | Aromatic |
| C23 | C24 | doub | 1.35Å | 1.39Å | Aromatic |
| C12 | C4 | sing | 1.51Å | 1.50Å | |
| N2 | N1 | sing | 1.29Å | 1.40Å | Aromatic |
| C6 | C1 | sing | 1.40Å | 1.37Å | Aromatic |
| C4 | C3 | doub | 1.39Å | 1.41Å | Aromatic |
| C1 | O3 | sing | 1.36Å | 1.36Å | |
| C1 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | N1 | sing | 1.35Å | 1.33Å | Aromatic |
| N1 | C19 | sing | 1.46Å | 1.46Å | |
| C3 | C2 | sing | 1.39Å | 1.41Å | Aromatic |
| C3 | O4 | sing | 1.36Å | 1.38Å | |
| C14 | O4 | sing | 1.43Å | 1.44Å | |
| C2 | C15 | sing | 1.51Å | 1.51Å | |
| C19 | C17 | sing | 1.51Å | 1.51Å | |
| C16 | C15 | sing | 1.51Å | 1.50Å | |
| C16 | C17 | doub | 1.31Å | 1.34Å | |
| C17 | C18 | sing | 1.51Å | 1.50Å | |
| O3 | H1 | sing | 0.97Å | 0.95Å | |
| C9 | H2 | sing | 1.09Å | 1.10Å | |
| C9 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.08Å | 1.08Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.08Å | 1.08Å | |
| C25 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H20 | sing | 1.09Å | 1.10Å | |
| C27 | H21 | sing | 1.09Å | 1.10Å | |
| C27 | H22 | sing | 1.09Å | 1.10Å | |
| C28 | H23 | sing | 1.09Å | 1.10Å | |
| C32 | H24 | sing | 1.09Å | 1.10Å | |
| O7 | H25 | sing | 0.97Å | 0.95Å | |
| C31 | H26 | sing | 1.09Å | 1.10Å | |
| O8 | H27 | sing | 0.97Å | 0.95Å | |
| C30 | H28 | sing | 1.09Å | 1.10Å | |
| C41 | H29 | sing | 1.08Å | 1.08Å | |
| N8 | H30 | sing | 0.97Å | 1.00Å | |
| N8 | H31 | sing | 0.97Å | 1.00Å | |
| C36 | H32 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O8 | C31 | C30 | 108.4° | 110.5° |
| O8 | C31 | C32 | 110.0° | 110.5° |
| O8 | C31 | H26 | 112.4° | 110.6° |
| C31 | O8 | H27 | 109.5° | 114.0° |
| N6 | C41 | N7 | 120.9° | 122.5° |
| C41 | N6 | C39 | 121.3° | 120.7° |
| N6 | C41 | H29 | 119.6° | 118.8° |
| C41 | N7 | C43 | 122.8° | 121.2° |
| N7 | C41 | H29 | 119.6° | 118.8° |
| N6 | C39 | N4 | 132.1° | 134.9° |
| N6 | C39 | C38 | 120.6° | 119.0° |
| N7 | C43 | C38 | 117.2° | 118.4° |
| N7 | C43 | N8 | 121.5° | 120.8° |
| C30 | C31 | C32 | 103.8° | 104.0° |
| C31 | C30 | N4 | 110.7° | 110.4° |
| C31 | C30 | O6 | 106.6° | 104.9° |
| C30 | C31 | H26 | 110.9° | 110.5° |
| C31 | C30 | H28 | 110.1° | 110.4° |
| C31 | C32 | O7 | 112.5° | 110.7° |
| C31 | C32 | C28 | 102.5° | 104.1° |
| C31 | C32 | H24 | 110.4° | 110.5° |
| C32 | C31 | H26 | 111.0° | 110.5° |
| N4 | C30 | O6 | 106.9° | 110.4° |
| C30 | N4 | C39 | 124.7° | 126.3° |
| C30 | N4 | C36 | 126.7° | 126.3° |
| N4 | C30 | H28 | 110.8° | 110.3° |
| C30 | O6 | C28 | 110.3° | 105.2° |
| O6 | C30 | H28 | 111.6° | 110.4° |
| N4 | C39 | C38 | 107.3° | 106.0° |
| C39 | N4 | C36 | 108.5° | 107.4° |
| C39 | C38 | C43 | 117.2° | 118.2° |
| C39 | C38 | N5 | 108.1° | 107.1° |
| N4 | C36 | N5 | 108.9° | 109.9° |
| N4 | C36 | H32 | 125.6° | 125.0° |
| C38 | C43 | N8 | 121.3° | 120.8° |
| C43 | C38 | N5 | 134.7° | 134.7° |
| C43 | N8 | H30 | 109.5° | 120.0° |
| C43 | N8 | H31 | 109.5° | 120.0° |
| O6 | C28 | C32 | 106.8° | 104.9° |
| O6 | C28 | C27 | 111.9° | 110.4° |
| O6 | C28 | H23 | 108.9° | 110.4° |
| O7 | C32 | C28 | 109.1° | 110.5° |
| O7 | C32 | H24 | 111.6° | 110.4° |
| C32 | O7 | H25 | 109.5° | 114.0° |
| C32 | C28 | C27 | 113.5° | 110.4° |
| C32 | C28 | H23 | 107.8° | 110.4° |
| C28 | C32 | H24 | 110.3° | 110.5° |
| C38 | N5 | C36 | 107.2° | 109.5° |
| C28 | C27 | O5 | 107.3° | 109.4° |
| C28 | C27 | H21 | 110.0° | 109.5° |
| C28 | C27 | H22 | 110.0° | 109.4° |
| C27 | C28 | H23 | 107.8° | 110.3° |
| N5 | C36 | H32 | 125.5° | 125.1° |
| C27 | O5 | C25 | 112.1° | 114.0° |
| O5 | C27 | H21 | 110.0° | 109.5° |
| O5 | C27 | H22 | 110.0° | 109.5° |
| O5 | C25 | C23 | 107.7° | 109.4° |
| O5 | C25 | H19 | 109.9° | 109.5° |
| O5 | C25 | H20 | 109.9° | 109.5° |
| C9 | O1 | C7 | 111.6° | 109.0° |
| O1 | C9 | C5 | 103.4° | 106.3° |
| O1 | C9 | H2 | 111.0° | 110.1° |
| O1 | C9 | H3 | 111.0° | 110.1° |
| O1 | C7 | O2 | 125.6° | 124.8° |
| O1 | C7 | C6 | 107.5° | 110.4° |
| C9 | C5 | C6 | 110.5° | 106.3° |
| C9 | C5 | C4 | 129.9° | 133.3° |
| C5 | C9 | H2 | 111.0° | 110.0° |
| C5 | C9 | H3 | 111.0° | 110.2° |
| C23 | N3 | N2 | 107.6° | 108.8° |
| N3 | C23 | C25 | 125.8° | 126.7° |
| N3 | C23 | C24 | 109.5° | 106.5° |
| N3 | N2 | N1 | 105.3° | 110.2° |
| O2 | C7 | C6 | 126.9° | 124.9° |
| C7 | C6 | C5 | 106.6° | 108.1° |
| C7 | C6 | C1 | 131.4° | 132.5° |
| C25 | C23 | C24 | 124.7° | 126.8° |
| C23 | C25 | H19 | 109.9° | 109.5° |
| C23 | C25 | H20 | 109.9° | 109.5° |
| C6 | C5 | C4 | 119.6° | 120.5° |
| C5 | C6 | C1 | 122.0° | 119.4° |
| C5 | C4 | C12 | 118.3° | 120.0° |
| C5 | C4 | C3 | 118.2° | 120.0° |
| C23 | C24 | N1 | 106.5° | 106.2° |
| C23 | C24 | H18 | 126.7° | 126.9° |
| C12 | C4 | C3 | 123.5° | 120.0° |
| C4 | C12 | H4 | 109.5° | 109.4° |
| C4 | C12 | H5 | 109.5° | 109.4° |
| C4 | C12 | H6 | 109.5° | 109.5° |
| N2 | N1 | C24 | 111.1° | 108.2° |
| N2 | N1 | C19 | 116.3° | 125.9° |
| C6 | C1 | O3 | 119.6° | 120.2° |
| C6 | C1 | C2 | 117.6° | 119.7° |
| C4 | C3 | C2 | 121.2° | 120.2° |
| C4 | C3 | O4 | 120.9° | 119.9° |
| O3 | C1 | C2 | 122.7° | 120.1° |
| C1 | O3 | H1 | 109.5° | 114.0° |
| C1 | C2 | C3 | 121.3° | 120.2° |
| C1 | C2 | C15 | 118.9° | 119.9° |
| C24 | N1 | C19 | 132.7° | 125.9° |
| N1 | C24 | H18 | 126.7° | 126.9° |
| N1 | C19 | C17 | 106.6° | 109.5° |
| N1 | C19 | H16 | 110.2° | 109.5° |
| N1 | C19 | H17 | 110.2° | 109.5° |
| C2 | C3 | O4 | 117.9° | 119.9° |
| C3 | C2 | C15 | 119.8° | 119.9° |
| C3 | O4 | C14 | 120.1° | 117.0° |
| O4 | C14 | H7 | 109.5° | 109.5° |
| O4 | C14 | H8 | 109.5° | 109.5° |
| O4 | C14 | H9 | 109.5° | 109.5° |
| C2 | C15 | C16 | 112.4° | 109.5° |
| C2 | C15 | H10 | 108.8° | 109.5° |
| C2 | C15 | H11 | 108.7° | 109.5° |
| C19 | C17 | C16 | 118.7° | 120.0° |
| C19 | C17 | C18 | 120.2° | 120.0° |
| C17 | C19 | H16 | 110.2° | 109.5° |
| C17 | C19 | H17 | 110.2° | 109.5° |
| C15 | C16 | C17 | 120.0° | 120.0° |
| C16 | C15 | H10 | 108.7° | 109.5° |
| C16 | C15 | H11 | 108.8° | 109.4° |
| C15 | C16 | H12 | 120.0° | 120.0° |
| C16 | C17 | C18 | 121.1° | 120.0° |
| C17 | C16 | H12 | 120.0° | 119.9° |
| C17 | C18 | H13 | 109.5° | 109.4° |
| C17 | C18 | H14 | 109.5° | 109.5° |
| C17 | C18 | H15 | 109.4° | 109.5° |
| H2 | C9 | H3 | 109.4° | 110.1° |
| H4 | C12 | H5 | 109.4° | 109.5° |
| H4 | C12 | H6 | 109.4° | 109.6° |
| H5 | C12 | H6 | 109.5° | 109.5° |
| H7 | C14 | H8 | 109.5° | 109.5° |
| H7 | C14 | H9 | 109.5° | 109.5° |
| H8 | C14 | H9 | 109.4° | 109.4° |
| H10 | C15 | H11 | 109.5° | 109.4° |
| H13 | C18 | H14 | 109.5° | 109.5° |
| H13 | C18 | H15 | 109.5° | 109.5° |
| H14 | C18 | H15 | 109.5° | 109.5° |
| H16 | C19 | H17 | 109.5° | 109.4° |
| H19 | C25 | H20 | 109.5° | 109.5° |
| H21 | C27 | H22 | 109.5° | 109.5° |
| H30 | N8 | H31 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O8 | C31 | C30 | C32 | 116.9° | 118.7° |
| O8 | C31 | C30 | H26 | 123.8° | 122.7° |
| O8 | C31 | C32 | H26 | 125.0° | 122.7° |
| O8 | C31 | C30 | N4 | 151.6° | 98.5° |
| O8 | C31 | C30 | O6 | 92.5° | 142.6° |
| O8 | C31 | C32 | O7 | 32.6° | 0.1° |
| O8 | C31 | C32 | C28 | 84.5° | 118.7° |
| O8 | C31 | C32 | H24 | 158.0° | 122.7° |
| O8 | C31 | C30 | H28 | 28.7° | 23.7° |
| N6 | C41 | N7 | H29 | 180.0° | 180.0° |
| N6 | C41 | N7 | C43 | 0.2° | 0.0° |
| C41 | N6 | C39 | N4 | 179.7° | 180.0° |
| C41 | N6 | C39 | C38 | 0.3° | 0.0° |
| N7 | C41 | N6 | C39 | 0.4° | 0.0° |
| C41 | N7 | C43 | C38 | 0.1° | 0.0° |
| C41 | N7 | C43 | N8 | 179.2° | 180.0° |
| N6 | C39 | N4 | C30 | 0.1° | 0.0° |
| N6 | C39 | N4 | C38 | 179.4° | 180.0° |
| N6 | C39 | N4 | C36 | 179.5° | 179.8° |
| N6 | C39 | C38 | C43 | 0.0° | 0.0° |
| N6 | C39 | C38 | N5 | 179.8° | 180.0° |
| C39 | N6 | C41 | H29 | 179.6° | 180.0° |
| N7 | C43 | C38 | C39 | 0.2° | 0.0° |
| N7 | C43 | C38 | N8 | 179.2° | 180.0° |
| N7 | C43 | C38 | N5 | 179.9° | 180.0° |
| C43 | N7 | C41 | H29 | 179.8° | 180.0° |
| N7 | C43 | N8 | H30 | 0.0° | 0.0° |
| N7 | C43 | N8 | H31 | 120.0° | 179.9° |
| C30 | C31 | C32 | H26 | 119.2° | 118.7° |
| C31 | C30 | N4 | O6 | 115.7° | 115.5° |
| C31 | C30 | N4 | H28 | 122.5° | 122.2° |
| C31 | C30 | O6 | H28 | 120.3° | 118.9° |
| C31 | C30 | N4 | C39 | 63.5° | 85.3° |
| C31 | C30 | N4 | C36 | 116.9° | 95.0° |
| C31 | C30 | O6 | C28 | 7.1° | 40.4° |
| C30 | C31 | C32 | O7 | 148.3° | 118.7° |
| C30 | C31 | C32 | C28 | 31.2° | 0.0° |
| C30 | C31 | C32 | H24 | 86.3° | 118.7° |
| C30 | C31 | O8 | H27 | 180.0° | 180.0° |
| C32 | C31 | C30 | N4 | 91.5° | 142.8° |
| C32 | C31 | C30 | O6 | 24.4° | 24.0° |
| C31 | C32 | C28 | O6 | 27.9° | 23.9° |
| C31 | C32 | O7 | C28 | 113.1° | 114.7° |
| C31 | C32 | O7 | H24 | 124.7° | 122.7° |
| C31 | C32 | C28 | H24 | 117.5° | 118.6° |
| C31 | C32 | C28 | C27 | 151.7° | 142.8° |
| C31 | C32 | C28 | H23 | 89.0° | 95.0° |
| C31 | C32 | O7 | H25 | 180.0° | 65.3° |
| C32 | C31 | O8 | H27 | 67.2° | 65.4° |
| C32 | C31 | C30 | H28 | 145.6° | 95.0° |
| N4 | C30 | O6 | H28 | 121.3° | 122.2° |
| C30 | N4 | C39 | C36 | 179.6° | 179.8° |
| C30 | N4 | C39 | C38 | 179.5° | 180.0° |
| N4 | C30 | O6 | C28 | 111.4° | 159.3° |
| C30 | N4 | C36 | N5 | 179.8° | 179.9° |
| N4 | C30 | C31 | H26 | 27.8° | 24.2° |
| C30 | N4 | C36 | H32 | 0.2° | 0.0° |
| O6 | C30 | N4 | C39 | 179.3° | 159.3° |
| O6 | C30 | N4 | C36 | 1.2° | 20.5° |
| C30 | O6 | C28 | C32 | 13.3° | 40.4° |
| C30 | O6 | C28 | C27 | 138.1° | 159.2° |
| C30 | O6 | C28 | H23 | 102.8° | 78.5° |
| O6 | C30 | C31 | H26 | 143.7° | 94.7° |
| N4 | C39 | C38 | C43 | 179.5° | 180.0° |
| N4 | C39 | C38 | N5 | 0.3° | 0.0° |
| C39 | N4 | C36 | N5 | 0.2° | 0.4° |
| C39 | N4 | C30 | H28 | 59.0° | 36.9° |
| C39 | N4 | C36 | H32 | 179.8° | 179.8° |
| C38 | C39 | N4 | C36 | 0.1° | 0.2° |
| C39 | C38 | C43 | N5 | 179.7° | 180.0° |
| C39 | C38 | C43 | N8 | 179.3° | 180.0° |
| C39 | C38 | N5 | C36 | 0.4° | 0.2° |
| N4 | C36 | N5 | C38 | 0.3° | 0.4° |
| N4 | C36 | N5 | H32 | 180.0° | 179.8° |
| C36 | N4 | C30 | H28 | 120.6° | 142.8° |
| C43 | C38 | N5 | C36 | 179.4° | 179.8° |
| C38 | C43 | N8 | H30 | 179.1° | 180.0° |
| C38 | C43 | N8 | H31 | 60.9° | 0.0° |
| N8 | C43 | C38 | N5 | 0.9° | 0.0° |
| C43 | N8 | H30 | H31 | 120.0° | 180.0° |
| O6 | C28 | C32 | O7 | 147.4° | 142.7° |
| O6 | C28 | C32 | C27 | 123.8° | 118.8° |
| O6 | C28 | C32 | H23 | 116.9° | 118.9° |
| O6 | C28 | C27 | H23 | 119.7° | 122.3° |
| O6 | C28 | C27 | O5 | 66.4° | 68.0° |
| O6 | C28 | C27 | H21 | 173.9° | 52.0° |
| O6 | C28 | C27 | H22 | 53.2° | 172.0° |
| O6 | C28 | C32 | H24 | 89.6° | 94.7° |
| C28 | O6 | C30 | H28 | 127.4° | 78.5° |
| O7 | C32 | C28 | H24 | 123.0° | 122.5° |
| O7 | C32 | C28 | C27 | 88.8° | 98.4° |
| O7 | C32 | C28 | H23 | 30.5° | 23.8° |
| O7 | C32 | C31 | H26 | 92.5° | 122.7° |
| C32 | C28 | C27 | H23 | 119.3° | 122.2° |
| C32 | C28 | C27 | O5 | 172.6° | 176.5° |
| C32 | C28 | C27 | H21 | 53.0° | 63.4° |
| C32 | C28 | C27 | H22 | 67.7° | 56.5° |
| C28 | C32 | O7 | H25 | 67.0° | 180.0° |
| C28 | C32 | C31 | H26 | 150.4° | 118.6° |
| C38 | N5 | C36 | H32 | 179.7° | 179.8° |
| C28 | C27 | O5 | H21 | 119.7° | 120.0° |
| C28 | C27 | O5 | H22 | 119.7° | 120.0° |
| C28 | C27 | O5 | C25 | 168.2° | 180.0° |
| C28 | C27 | H21 | H22 | 121.0° | 119.9° |
| C27 | C28 | C32 | H24 | 34.2° | 24.1° |
| C27 | O5 | C25 | C23 | 59.1° | 180.0° |
| C27 | O5 | C25 | H19 | 178.8° | 59.9° |
| C27 | O5 | C25 | H20 | 60.6° | 60.0° |
| O5 | C27 | H21 | H22 | 121.0° | 120.1° |
| O5 | C27 | C28 | H23 | 53.3° | 54.3° |
| O5 | C25 | C23 | N3 | 41.3° | 180.0° |
| O5 | C25 | C23 | H19 | 119.7° | 120.0° |
| O5 | C25 | C23 | H20 | 119.7° | 120.0° |
| O5 | C25 | C23 | C24 | 137.1° | 0.1° |
| O5 | C25 | H19 | H20 | 120.8° | 120.0° |
| C25 | O5 | C27 | H21 | 72.2° | 60.0° |
| C25 | O5 | C27 | H22 | 48.5° | 60.0° |
| O1 | C9 | C5 | H2 | 119.0° | 119.2° |
| O1 | C9 | C5 | H3 | 119.0° | 119.2° |
| C9 | O1 | C7 | O2 | 174.5° | 180.0° |
| C9 | O1 | C7 | C6 | 6.4° | 0.2° |
| O1 | C9 | C5 | C6 | 4.1° | 0.0° |
| O1 | C9 | C5 | C4 | 176.1° | 180.0° |
| O1 | C9 | H2 | H3 | 122.8° | 121.5° |
| C7 | O1 | C9 | C5 | 6.4° | 0.1° |
| O1 | C7 | O2 | C6 | 178.8° | 179.8° |
| O1 | C7 | C6 | C5 | 3.5° | 0.3° |
| O1 | C7 | C6 | C1 | 176.4° | 179.8° |
| C7 | O1 | C9 | H2 | 125.5° | 119.2° |
| C7 | O1 | C9 | H3 | 112.6° | 119.2° |
| C9 | C5 | C6 | C7 | 0.5° | 0.2° |
| C9 | C5 | C6 | C4 | 179.8° | 180.0° |
| C9 | C5 | C4 | C12 | 0.3° | 0.0° |
| C9 | C5 | C6 | C1 | 179.6° | 179.8° |
| C9 | C5 | C4 | C3 | 180.0° | 180.0° |
| C5 | C9 | H2 | H3 | 122.8° | 121.6° |
| N3 | C23 | C25 | C24 | 178.3° | 180.0° |
| C23 | N3 | N2 | N1 | 1.1° | 0.5° |
| N3 | C23 | C24 | N1 | 0.2° | 0.0° |
| N3 | C23 | C24 | H18 | 179.8° | 180.0° |
| N3 | C23 | C25 | H19 | 78.5° | 60.0° |
| N3 | C23 | C25 | H20 | 161.0° | 60.0° |
| N2 | N3 | C23 | C25 | 179.4° | 179.7° |
| N2 | N3 | C23 | C24 | 0.8° | 0.3° |
| N3 | N2 | N1 | C24 | 1.0° | 0.5° |
| N3 | N2 | N1 | C19 | 179.6° | 179.8° |
| O2 | C7 | C6 | C5 | 177.5° | 180.0° |
| O2 | C7 | C6 | C1 | 2.6° | 0.0° |
| C7 | C6 | C5 | C1 | 179.9° | 180.0° |
| C7 | C6 | C5 | C4 | 179.8° | 179.9° |
| C7 | C6 | C1 | O3 | 0.0° | 0.0° |
| C7 | C6 | C1 | C2 | 179.4° | 180.0° |
| C25 | C23 | C24 | N1 | 178.8° | 180.0° |
| C25 | C23 | C24 | H18 | 1.2° | 0.1° |
| C23 | C25 | H19 | H20 | 120.8° | 120.0° |
| C6 | C5 | C4 | C12 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 0.3° | 0.0° |
| C5 | C6 | C1 | O3 | 179.8° | 180.0° |
| C5 | C6 | C1 | C2 | 0.4° | 0.0° |
| C6 | C5 | C9 | H2 | 123.2° | 119.1° |
| C6 | C5 | C9 | H3 | 114.9° | 119.3° |
| C5 | C4 | C12 | C3 | 179.7° | 180.0° |
| C4 | C5 | C6 | C1 | 0.1° | 0.1° |
| C5 | C4 | C3 | C2 | 0.3° | 0.3° |
| C5 | C4 | C3 | O4 | 180.0° | 180.0° |
| C4 | C5 | C9 | H2 | 57.1° | 60.8° |
| C4 | C5 | C9 | H3 | 64.8° | 60.8° |
| C5 | C4 | C12 | H4 | 90.1° | 90.0° |
| C5 | C4 | C12 | H5 | 149.9° | 150.0° |
| C5 | C4 | C12 | H6 | 29.9° | 30.1° |
| C23 | C24 | N1 | N2 | 0.5° | 0.3° |
| C23 | C24 | N1 | H18 | 180.0° | 179.9° |
| C23 | C24 | N1 | C19 | 178.8° | 180.0° |
| C24 | C23 | C25 | H19 | 103.2° | 120.0° |
| C24 | C23 | C25 | H20 | 17.4° | 120.0° |
| C12 | C4 | C3 | C2 | 179.9° | 179.7° |
| C12 | C4 | C3 | O4 | 0.2° | 0.0° |
| C4 | C12 | H4 | H5 | 120.0° | 119.9° |
| C4 | C12 | H4 | H6 | 120.0° | 120.0° |
| C4 | C12 | H5 | H6 | 120.0° | 120.0° |
| N2 | N1 | C24 | C19 | 178.3° | 179.8° |
| N2 | N1 | C19 | C17 | 75.1° | 55.3° |
| N2 | N1 | C19 | H16 | 165.4° | 175.3° |
| N2 | N1 | C19 | H17 | 44.4° | 64.7° |
| N2 | N1 | C24 | H18 | 179.5° | 179.8° |
| C6 | C1 | O3 | C2 | 179.3° | 180.0° |
| C6 | C1 | C2 | C3 | 0.4° | 0.3° |
| C6 | C1 | C2 | C15 | 178.5° | 180.0° |
| C6 | C1 | O3 | H1 | 180.0° | 90.0° |
| C4 | C3 | C2 | C1 | 0.0° | 0.4° |
| C4 | C3 | C2 | O4 | 179.7° | 179.7° |
| C4 | C3 | O4 | C14 | 81.1° | 90.0° |
| C4 | C3 | C2 | C15 | 178.9° | 179.8° |
| C3 | C4 | C12 | H4 | 90.2° | 89.9° |
| C3 | C4 | C12 | H5 | 29.8° | 30.0° |
| C3 | C4 | C12 | H6 | 149.9° | 150.0° |
| O3 | C1 | C2 | C3 | 179.8° | 179.7° |
| O3 | C1 | C2 | C15 | 0.8° | 0.0° |
| C1 | C2 | C3 | C15 | 178.9° | 179.7° |
| C1 | C2 | C3 | O4 | 179.7° | 179.8° |
| C1 | C2 | C15 | C16 | 87.3° | 90.0° |
| C2 | C1 | O3 | H1 | 0.7° | 90.1° |
| C1 | C2 | C15 | H10 | 33.1° | 150.0° |
| C1 | C2 | C15 | H11 | 152.2° | 30.0° |
| C24 | N1 | C19 | C17 | 103.1° | 125.0° |
| C24 | N1 | C19 | H16 | 16.4° | 5.0° |
| C24 | N1 | C19 | H17 | 137.3° | 115.0° |
| N1 | C19 | C17 | H16 | 119.5° | 120.1° |
| N1 | C19 | C17 | H17 | 119.6° | 120.0° |
| N1 | C19 | C17 | C16 | 90.0° | 94.9° |
| N1 | C19 | C17 | C18 | 88.5° | 85.0° |
| N1 | C19 | H16 | H17 | 121.4° | 120.0° |
| C19 | N1 | C24 | H18 | 1.2° | 0.0° |
| C2 | C3 | O4 | C14 | 98.6° | 90.3° |
| C3 | C2 | C15 | C16 | 93.7° | 90.3° |
| C3 | C2 | C15 | H10 | 145.8° | 29.7° |
| C3 | C2 | C15 | H11 | 26.7° | 149.7° |
| O4 | C3 | C2 | C15 | 1.4° | 0.1° |
| C3 | O4 | C14 | H7 | 180.0° | 60.0° |
| C3 | O4 | C14 | H8 | 60.0° | 60.0° |
| C3 | O4 | C14 | H9 | 60.0° | 179.9° |
| O4 | C14 | H7 | H8 | 120.0° | 120.0° |
| O4 | C14 | H7 | H9 | 120.0° | 120.0° |
| O4 | C14 | H8 | H9 | 120.0° | 120.0° |
| C2 | C15 | C16 | H10 | 120.5° | 120.1° |
| C2 | C15 | C16 | H11 | 120.4° | 120.0° |
| C2 | C15 | C16 | C17 | 130.0° | 126.2° |
| C2 | C15 | H10 | H11 | 118.6° | 120.0° |
| C2 | C15 | C16 | H12 | 50.1° | 53.7° |
| C19 | C17 | C16 | C15 | 179.3° | 173.8° |
| C19 | C17 | C16 | C18 | 178.4° | 179.9° |
| C19 | C17 | C16 | H12 | 0.7° | 6.1° |
| C19 | C17 | C18 | H13 | 180.0° | 95.0° |
| C19 | C17 | C18 | H14 | 60.0° | 25.0° |
| C19 | C17 | C18 | H15 | 60.0° | 145.0° |
| C17 | C19 | H16 | H17 | 121.3° | 119.9° |
| C15 | C16 | C17 | H12 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 0.9° | 6.2° |
| C16 | C15 | H10 | H11 | 118.7° | 119.9° |
| C17 | C16 | C15 | H10 | 109.6° | 113.7° |
| C17 | C16 | C15 | H11 | 9.5° | 6.2° |
| C16 | C17 | C18 | H13 | 1.6° | 85.0° |
| C16 | C17 | C18 | H14 | 118.4° | 155.0° |
| C16 | C17 | C18 | H15 | 121.6° | 34.9° |
| C16 | C17 | C19 | H16 | 150.5° | 145.0° |
| C16 | C17 | C19 | H17 | 29.6° | 25.1° |
| C18 | C17 | C16 | H12 | 179.2° | 173.8° |
| C17 | C18 | H13 | H14 | 120.0° | 120.0° |
| C17 | C18 | H13 | H15 | 120.0° | 120.0° |
| C17 | C18 | H14 | H15 | 120.0° | 120.0° |
| C18 | C17 | C19 | H16 | 31.1° | 35.1° |
| C18 | C17 | C19 | H17 | 152.0° | 155.0° |
| H4 | C12 | H5 | H6 | 120.0° | 120.1° |
| H7 | C14 | H8 | H9 | 120.0° | 120.0° |
| H10 | C15 | C16 | H12 | 70.4° | 66.4° |
| H11 | C15 | C16 | H12 | 170.5° | 173.7° |
| H13 | C18 | H14 | H15 | 120.0° | 120.0° |
| H21 | C27 | C28 | H23 | 66.3° | 174.3° |
| H22 | C27 | C28 | H23 | 173.0° | 65.7° |
| H23 | C28 | C32 | H24 | 153.5° | 146.3° |
| H24 | C32 | O7 | H25 | 55.2° | 57.4° |
| H24 | C32 | C31 | H26 | 32.9° | 0.0° |
| H26 | C31 | O8 | H27 | 57.1° | 57.3° |
| H26 | C31 | C30 | H28 | 95.1° | 146.4° |
