A1ECU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | P1 | sing | 1.82Å | 1.88Å | |
| P1 | C2 | sing | 1.81Å | 1.81Å | |
| P1 | C31 | sing | 1.82Å | 1.89Å | |
| P1 | O3 | doub | 1.48Å | 1.45Å | |
| C2 | C3 | doub | 1.39Å | 1.42Å | Aromatic |
| C2 | C30 | sing | 1.38Å | 1.37Å | Aromatic |
| C3 | N1 | sing | 1.40Å | 1.49Å | |
| C3 | C27 | sing | 1.39Å | 1.41Å | Aromatic |
| N1 | C4 | sing | 1.39Å | 1.48Å | |
| C4 | C5 | doub | 1.40Å | 1.36Å | Aromatic |
| C4 | N8 | sing | 1.33Å | 1.33Å | Aromatic |
| C5 | CL1 | sing | 1.74Å | 1.77Å | |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | N2 | doub | 1.33Å | 1.34Å | Aromatic |
| N2 | C7 | sing | 1.32Å | 1.30Å | Aromatic |
| C7 | N3 | sing | 1.38Å | 1.46Å | |
| C7 | N8 | doub | 1.32Å | 1.35Å | Aromatic |
| N3 | C8 | sing | 1.40Å | 1.48Å | |
| C8 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C25 | sing | 1.39Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.43Å | Aromatic |
| C10 | N4 | sing | 1.40Å | 1.48Å | |
| C10 | C13 | doub | 1.39Å | 1.38Å | Aromatic |
| N4 | C11 | sing | 1.35Å | 1.47Å | |
| C11 | C12 | sing | 1.51Å | 1.58Å | |
| C11 | O1 | doub | 1.21Å | 1.19Å | |
| C12 | CL2 | sing | 1.80Å | 1.81Å | |
| C12 | CL3 | sing | 1.80Å | 1.81Å | |
| C13 | N5 | sing | 1.40Å | 1.51Å | |
| C13 | C24 | sing | 1.39Å | 1.38Å | Aromatic |
| N5 | C14 | sing | 1.47Å | 1.48Å | |
| N5 | C23 | sing | 1.47Å | 1.47Å | |
| C14 | C15 | sing | 1.53Å | 1.56Å | |
| C15 | C16 | sing | 1.53Å | 1.60Å | |
| C16 | N6 | sing | 1.47Å | 1.37Å | |
| C16 | C22 | sing | 1.53Å | 1.61Å | |
| N6 | C17 | sing | 1.47Å | 1.34Å | |
| N6 | C21 | sing | 1.47Å | 1.31Å | |
| C17 | C18 | sing | 1.53Å | 1.55Å | |
| C18 | N7 | sing | 1.47Å | 1.32Å | |
| N7 | C19 | sing | 1.47Å | 1.35Å | |
| N7 | C20 | sing | 1.47Å | 1.31Å | |
| C20 | C21 | sing | 1.53Å | 1.56Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C24 | C25 | doub | 1.39Å | 1.40Å | Aromatic |
| C25 | O2 | sing | 1.36Å | 1.40Å | |
| O2 | C26 | sing | 1.43Å | 1.37Å | |
| C27 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.42Å | Aromatic |
| C29 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| N3 | H6 | sing | 0.97Å | 1.00Å | |
| N4 | H8 | sing | 0.97Å | 1.00Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H22 | sing | 1.09Å | 1.10Å | |
| C20 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| C22 | H26 | sing | 1.09Å | 1.10Å | |
| C22 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H28 | sing | 1.09Å | 1.10Å | |
| C24 | H30 | sing | 1.08Å | 1.08Å | |
| C26 | H31 | sing | 1.09Å | 1.10Å | |
| C26 | H32 | sing | 1.09Å | 1.10Å | |
| C26 | H33 | sing | 1.09Å | 1.10Å | |
| C27 | H34 | sing | 1.08Å | 1.08Å | |
| C28 | H35 | sing | 1.08Å | 1.08Å | |
| C29 | H36 | sing | 1.08Å | 1.08Å | |
| C30 | H37 | sing | 1.08Å | 1.08Å | |
| C31 | H40 | sing | 1.09Å | 1.10Å | |
| C31 | H39 | sing | 1.09Å | 1.10Å | |
| C31 | H38 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | P1 | C2 | 105.1° | 109.5° |
| C1 | P1 | C31 | 113.3° | 109.5° |
| C1 | P1 | O3 | 109.0° | 109.5° |
| P1 | C1 | H2 | 109.5° | 109.5° |
| P1 | C1 | H1 | 109.5° | 109.4° |
| P1 | C1 | H3 | 109.5° | 109.4° |
| C2 | P1 | C31 | 112.2° | 109.5° |
| C2 | P1 | O3 | 108.0° | 109.5° |
| P1 | C2 | C3 | 119.2° | 120.1° |
| P1 | C2 | C30 | 120.5° | 120.0° |
| C31 | P1 | O3 | 109.1° | 109.4° |
| P1 | C31 | H40 | 109.5° | 109.5° |
| P1 | C31 | H39 | 109.5° | 109.5° |
| P1 | C31 | H38 | 109.4° | 109.5° |
| C3 | C2 | C30 | 120.3° | 119.9° |
| C2 | C3 | N1 | 119.3° | 120.1° |
| C2 | C3 | C27 | 119.9° | 119.8° |
| C2 | C30 | C29 | 119.9° | 120.0° |
| C2 | C30 | H37 | 120.1° | 119.9° |
| N1 | C3 | C27 | 120.8° | 120.1° |
| C3 | N1 | C4 | 122.6° | 120.0° |
| C3 | N1 | H4 | 118.7° | 120.0° |
| C3 | C27 | C28 | 119.5° | 119.9° |
| C3 | C27 | H34 | 120.3° | 120.0° |
| N1 | C4 | C5 | 117.6° | 120.5° |
| N1 | C4 | N8 | 123.8° | 120.5° |
| C4 | N1 | H4 | 118.7° | 120.0° |
| C5 | C4 | N8 | 118.6° | 119.0° |
| C4 | C5 | CL1 | 119.7° | 120.8° |
| C4 | C5 | C6 | 118.9° | 118.5° |
| C4 | N8 | C7 | 121.9° | 120.6° |
| CL1 | C5 | C6 | 121.4° | 120.7° |
| C5 | C6 | N2 | 119.7° | 119.3° |
| C5 | C6 | H5 | 120.2° | 120.4° |
| C6 | N2 | C7 | 120.8° | 120.9° |
| N2 | C6 | H5 | 120.1° | 120.3° |
| N2 | C7 | N3 | 115.5° | 119.2° |
| N2 | C7 | N8 | 120.1° | 121.7° |
| N3 | C7 | N8 | 124.4° | 119.1° |
| C7 | N3 | C8 | 126.8° | 120.0° |
| C7 | N3 | H6 | 116.6° | 120.1° |
| N3 | C8 | C9 | 123.9° | 120.0° |
| N3 | C8 | C25 | 116.5° | 120.0° |
| C8 | N3 | H6 | 116.6° | 120.0° |
| C9 | C8 | C25 | 119.6° | 120.0° |
| C8 | C9 | C10 | 118.4° | 120.0° |
| C8 | C9 | H7 | 120.8° | 120.0° |
| C8 | C25 | C24 | 121.2° | 120.0° |
| C8 | C25 | O2 | 122.8° | 120.0° |
| C9 | C10 | N4 | 121.6° | 120.0° |
| C9 | C10 | C13 | 121.2° | 120.0° |
| C10 | C9 | H7 | 120.8° | 120.0° |
| N4 | C10 | C13 | 117.1° | 120.0° |
| C10 | N4 | C11 | 124.4° | 120.0° |
| C10 | N4 | H8 | 117.8° | 120.0° |
| C10 | C13 | N5 | 121.9° | 120.0° |
| C10 | C13 | C24 | 120.1° | 120.0° |
| N4 | C11 | C12 | 116.6° | 120.0° |
| N4 | C11 | O1 | 119.3° | 120.0° |
| C11 | N4 | H8 | 117.8° | 119.9° |
| C12 | C11 | O1 | 124.1° | 120.0° |
| C11 | C12 | CL2 | 113.9° | 109.5° |
| C11 | C12 | CL3 | 104.9° | 109.5° |
| C11 | C12 | H9 | 110.5° | 109.5° |
| CL2 | C12 | CL3 | 111.7° | 109.5° |
| CL2 | C12 | H9 | 107.9° | 109.5° |
| CL3 | C12 | H9 | 107.9° | 109.5° |
| N5 | C13 | C24 | 118.1° | 120.0° |
| C13 | N5 | C14 | 118.4° | 111.0° |
| C13 | N5 | C23 | 111.3° | 111.0° |
| C13 | C24 | C25 | 119.5° | 120.0° |
| C13 | C24 | H30 | 120.3° | 120.0° |
| C14 | N5 | C23 | 122.9° | 111.2° |
| N5 | C14 | C15 | 109.2° | 109.5° |
| N5 | C14 | H10 | 109.5° | 109.4° |
| N5 | C14 | H11 | 109.5° | 109.5° |
| N5 | C23 | C22 | 111.4° | 109.5° |
| N5 | C23 | H29 | 109.0° | 109.4° |
| N5 | C23 | H28 | 109.0° | 109.4° |
| C14 | C15 | C16 | 113.2° | 109.3° |
| C15 | C14 | H10 | 109.5° | 109.5° |
| C15 | C14 | H11 | 109.5° | 109.5° |
| C14 | C15 | H12 | 108.5° | 109.5° |
| C14 | C15 | H13 | 108.5° | 109.5° |
| C15 | C16 | N6 | 121.1° | 109.5° |
| C15 | C16 | C22 | 103.0° | 109.2° |
| C16 | C15 | H12 | 108.6° | 109.5° |
| C16 | C15 | H13 | 108.5° | 109.5° |
| C15 | C16 | H14 | 105.8° | 109.5° |
| N6 | C16 | C22 | 111.5° | 109.5° |
| C16 | N6 | C17 | 106.9° | 111.0° |
| C16 | N6 | C21 | 109.1° | 111.0° |
| N6 | C16 | H14 | 108.6° | 109.5° |
| C16 | C22 | C23 | 118.0° | 109.3° |
| C22 | C16 | H14 | 105.7° | 109.6° |
| C16 | C22 | H26 | 107.3° | 109.5° |
| C16 | C22 | H27 | 107.3° | 109.5° |
| C17 | N6 | C21 | 112.5° | 110.9° |
| N6 | C17 | C18 | 119.4° | 109.4° |
| N6 | C17 | H15 | 106.9° | 109.5° |
| N6 | C17 | H16 | 106.9° | 109.5° |
| N6 | C21 | C20 | 117.6° | 109.3° |
| N6 | C21 | H24 | 107.4° | 109.5° |
| N6 | C21 | H25 | 107.4° | 109.5° |
| C17 | C18 | N7 | 115.7° | 109.4° |
| C18 | C17 | H15 | 106.9° | 109.5° |
| C18 | C17 | H16 | 106.9° | 109.5° |
| C17 | C18 | H18 | 107.9° | 109.5° |
| C17 | C18 | H17 | 107.9° | 109.5° |
| C18 | N7 | C19 | 109.1° | 111.0° |
| C18 | N7 | C20 | 116.2° | 110.9° |
| N7 | C18 | H18 | 107.9° | 109.5° |
| N7 | C18 | H17 | 107.9° | 109.5° |
| C19 | N7 | C20 | 110.7° | 111.0° |
| N7 | C19 | H19 | 109.5° | 109.4° |
| N7 | C19 | H21 | 109.5° | 109.5° |
| N7 | C19 | H20 | 109.4° | 109.5° |
| N7 | C20 | C21 | 118.1° | 109.4° |
| N7 | C20 | H22 | 107.3° | 109.5° |
| N7 | C20 | H23 | 107.3° | 109.5° |
| C21 | C20 | H22 | 107.3° | 109.4° |
| C21 | C20 | H23 | 107.3° | 109.5° |
| C20 | C21 | H24 | 107.4° | 109.5° |
| C20 | C21 | H25 | 107.4° | 109.5° |
| C23 | C22 | H26 | 107.3° | 109.5° |
| C23 | C22 | H27 | 107.3° | 109.5° |
| C22 | C23 | H29 | 109.0° | 109.5° |
| C22 | C23 | H28 | 109.0° | 109.5° |
| C24 | C25 | O2 | 115.9° | 120.0° |
| C25 | C24 | H30 | 120.3° | 120.0° |
| C25 | O2 | C26 | 104.7° | 117.0° |
| O2 | C26 | H31 | 109.5° | 109.4° |
| O2 | C26 | H32 | 109.4° | 109.5° |
| O2 | C26 | H33 | 109.5° | 109.5° |
| C27 | C28 | C29 | 119.9° | 120.1° |
| C28 | C27 | H34 | 120.3° | 120.1° |
| C27 | C28 | H35 | 120.1° | 120.0° |
| C28 | C29 | C30 | 120.6° | 120.1° |
| C29 | C28 | H35 | 120.1° | 119.9° |
| C28 | C29 | H36 | 119.7° | 120.0° |
| C30 | C29 | H36 | 119.7° | 119.9° |
| C29 | C30 | H37 | 120.1° | 120.0° |
| H2 | C1 | H1 | 109.4° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.4° | 109.5° |
| H10 | C14 | H11 | 109.5° | 109.4° |
| H12 | C15 | H13 | 109.5° | 109.5° |
| H15 | C17 | H16 | 109.5° | 109.5° |
| H18 | C18 | H17 | 109.5° | 109.5° |
| H19 | C19 | H21 | 109.5° | 109.5° |
| H19 | C19 | H20 | 109.5° | 109.5° |
| H21 | C19 | H20 | 109.5° | 109.5° |
| H22 | C20 | H23 | 109.5° | 109.5° |
| H24 | C21 | H25 | 109.5° | 109.5° |
| H26 | C22 | H27 | 109.5° | 109.5° |
| H29 | C23 | H28 | 109.5° | 109.5° |
| H31 | C26 | H32 | 109.5° | 109.4° |
| H31 | C26 | H33 | 109.5° | 109.5° |
| H32 | C26 | H33 | 109.5° | 109.5° |
| H40 | C31 | H39 | 109.5° | 109.4° |
| H40 | C31 | H38 | 109.5° | 109.5° |
| H39 | C31 | H38 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | P1 | C2 | C31 | 123.5° | 120.0° |
| C1 | P1 | C2 | O3 | 116.2° | 120.0° |
| C1 | P1 | C31 | O3 | 121.6° | 120.0° |
| C1 | P1 | C2 | C3 | 67.3° | 170.0° |
| C1 | P1 | C2 | C30 | 112.0° | 10.3° |
| P1 | C1 | H2 | H1 | 120.0° | 120.0° |
| P1 | C1 | H2 | H3 | 120.0° | 120.0° |
| P1 | C1 | H1 | H3 | 120.0° | 120.0° |
| C1 | P1 | C31 | H40 | 180.0° | 60.0° |
| C1 | P1 | C31 | H39 | 60.0° | 180.0° |
| C1 | P1 | C31 | H38 | 60.0° | 60.0° |
| C2 | P1 | C31 | O3 | 119.6° | 120.0° |
| P1 | C2 | C3 | C30 | 179.3° | 179.7° |
| P1 | C2 | C3 | N1 | 0.2° | 0.2° |
| P1 | C2 | C3 | C27 | 179.7° | 179.7° |
| P1 | C2 | C30 | C29 | 179.9° | 179.7° |
| C2 | P1 | C1 | H2 | 180.0° | 60.0° |
| C2 | P1 | C1 | H1 | 60.0° | 180.0° |
| C2 | P1 | C1 | H3 | 60.0° | 60.0° |
| P1 | C2 | C30 | H37 | 0.1° | 0.2° |
| C2 | P1 | C31 | H40 | 61.2° | 60.0° |
| C2 | P1 | C31 | H39 | 178.8° | 59.9° |
| C2 | P1 | C31 | H38 | 58.8° | 180.0° |
| C31 | P1 | C2 | C3 | 169.2° | 70.0° |
| C31 | P1 | C2 | C30 | 11.5° | 109.8° |
| C31 | P1 | C1 | H2 | 57.2° | 60.0° |
| C31 | P1 | C1 | H1 | 177.2° | 60.0° |
| C31 | P1 | C1 | H3 | 62.8° | 180.0° |
| P1 | C31 | H40 | H39 | 120.0° | 120.0° |
| P1 | C31 | H40 | H38 | 120.0° | 120.0° |
| P1 | C31 | H39 | H38 | 119.9° | 120.1° |
| O3 | P1 | C2 | C3 | 48.9° | 50.0° |
| O3 | P1 | C2 | C30 | 131.8° | 130.3° |
| O3 | P1 | C1 | H2 | 64.4° | 180.0° |
| O3 | P1 | C1 | H1 | 55.6° | 60.0° |
| O3 | P1 | C1 | H3 | 175.5° | 60.0° |
| O3 | P1 | C31 | H40 | 58.4° | 180.0° |
| O3 | P1 | C31 | H39 | 61.6° | 60.0° |
| O3 | P1 | C31 | H38 | 178.4° | 60.0° |
| C2 | C3 | N1 | C27 | 179.9° | 180.0° |
| C2 | C3 | N1 | C4 | 156.7° | 145.7° |
| C2 | C3 | C27 | C28 | 0.2° | 0.0° |
| C3 | C2 | C30 | C29 | 0.9° | 0.0° |
| C2 | C3 | N1 | H4 | 23.3° | 34.5° |
| C2 | C3 | C27 | H34 | 179.9° | 180.0° |
| C3 | C2 | C30 | H37 | 179.1° | 180.0° |
| C30 | C2 | C3 | N1 | 179.5° | 180.0° |
| C30 | C2 | C3 | C27 | 0.4° | 0.0° |
| C2 | C30 | C29 | C28 | 0.8° | 0.0° |
| C2 | C30 | C29 | H37 | 180.0° | 180.0° |
| C2 | C30 | C29 | H36 | 179.2° | 180.0° |
| C3 | N1 | C4 | H4 | 180.0° | 179.8° |
| C3 | N1 | C4 | C5 | 175.0° | 176.3° |
| C3 | N1 | C4 | N8 | 5.3° | 4.0° |
| N1 | C3 | C27 | C28 | 180.0° | 180.0° |
| N1 | C3 | C27 | H34 | 0.0° | 0.0° |
| C27 | C3 | N1 | C4 | 23.4° | 34.3° |
| C3 | C27 | C28 | H34 | 180.0° | 180.0° |
| C3 | C27 | C28 | C29 | 0.2° | 0.0° |
| C27 | C3 | N1 | H4 | 156.6° | 145.5° |
| C3 | C27 | C28 | H35 | 179.8° | 179.9° |
| N1 | C4 | C5 | N8 | 179.7° | 179.7° |
| N1 | C4 | C5 | CL1 | 0.9° | 0.1° |
| N1 | C4 | C5 | C6 | 179.9° | 179.9° |
| N1 | C4 | N8 | C7 | 179.9° | 179.8° |
| C4 | C5 | CL1 | C6 | 179.0° | 180.0° |
| C4 | C5 | C6 | N2 | 0.2° | 0.0° |
| C5 | C4 | N8 | C7 | 0.4° | 0.5° |
| C5 | C4 | N1 | H4 | 5.0° | 3.9° |
| C4 | C5 | C6 | H5 | 179.7° | 180.0° |
| N8 | C4 | C5 | CL1 | 178.8° | 179.8° |
| N8 | C4 | C5 | C6 | 0.2° | 0.3° |
| C4 | N8 | C7 | N2 | 0.1° | 0.5° |
| C4 | N8 | C7 | N3 | 179.5° | 179.7° |
| N8 | C4 | N1 | H4 | 174.7° | 175.8° |
| CL1 | C5 | C6 | N2 | 179.2° | 180.0° |
| CL1 | C5 | C6 | H5 | 0.8° | 0.0° |
| C5 | C6 | N2 | H5 | 180.0° | 179.9° |
| C5 | C6 | N2 | C7 | 0.5° | 0.0° |
| C6 | N2 | C7 | N3 | 180.0° | 180.0° |
| C6 | N2 | C7 | N8 | 0.4° | 0.2° |
| N2 | C7 | N3 | N8 | 179.6° | 179.8° |
| N2 | C7 | N3 | C8 | 177.2° | 3.7° |
| N2 | C7 | N3 | H6 | 2.8° | 176.3° |
| C7 | N2 | C6 | H5 | 179.4° | 180.0° |
| C7 | N3 | C8 | H6 | 180.0° | 180.0° |
| C7 | N3 | C8 | C9 | 10.6° | 34.6° |
| C7 | N3 | C8 | C25 | 170.6° | 145.1° |
| N8 | C7 | N3 | C8 | 3.2° | 176.6° |
| N8 | C7 | N3 | H6 | 176.8° | 3.5° |
| N3 | C8 | C9 | C25 | 178.8° | 179.7° |
| N3 | C8 | C9 | C10 | 179.3° | 180.0° |
| N3 | C8 | C25 | C24 | 180.0° | 180.0° |
| N3 | C8 | C25 | O2 | 2.1° | 0.0° |
| N3 | C8 | C9 | H7 | 0.7° | 0.0° |
| C8 | C9 | C10 | H7 | 180.0° | 180.0° |
| C8 | C9 | C10 | N4 | 177.6° | 180.0° |
| C8 | C9 | C10 | C13 | 0.7° | 0.0° |
| C9 | C8 | C25 | C24 | 1.1° | 0.3° |
| C9 | C8 | C25 | O2 | 179.0° | 179.7° |
| C9 | C8 | N3 | H6 | 169.4° | 145.4° |
| C25 | C8 | C9 | C10 | 0.5° | 0.3° |
| C8 | C25 | C24 | C13 | 0.5° | 0.0° |
| C8 | C25 | C24 | O2 | 178.1° | 179.9° |
| C8 | C25 | O2 | C26 | 97.1° | 180.0° |
| C25 | C8 | N3 | H6 | 9.4° | 34.9° |
| C8 | C25 | C24 | H30 | 179.5° | 179.7° |
| C25 | C8 | C9 | H7 | 179.5° | 179.7° |
| C9 | C10 | N4 | C13 | 177.1° | 180.0° |
| C9 | C10 | N4 | C11 | 88.2° | 33.4° |
| C9 | C10 | C13 | N5 | 178.7° | 180.0° |
| C9 | C10 | C13 | C24 | 1.2° | 0.3° |
| C9 | C10 | N4 | H8 | 91.8° | 146.6° |
| C10 | N4 | C11 | H8 | 180.0° | 180.0° |
| C10 | N4 | C11 | C12 | 179.6° | 174.0° |
| C10 | N4 | C11 | O1 | 1.1° | 6.1° |
| N4 | C10 | C13 | N5 | 1.6° | 0.1° |
| N4 | C10 | C13 | C24 | 178.3° | 179.7° |
| N4 | C10 | C9 | H7 | 2.4° | 0.0° |
| C13 | C10 | N4 | C11 | 94.7° | 146.6° |
| C10 | C13 | N5 | C24 | 179.9° | 179.7° |
| C10 | C13 | N5 | C14 | 62.9° | 120.0° |
| C10 | C13 | N5 | C23 | 146.2° | 115.8° |
| C10 | C13 | C24 | C25 | 0.6° | 0.3° |
| C13 | C10 | N4 | H8 | 85.3° | 33.4° |
| C10 | C13 | C24 | H30 | 179.3° | 180.0° |
| C13 | C10 | C9 | H7 | 179.4° | 180.0° |
| N4 | C11 | C12 | O1 | 178.4° | 180.0° |
| N4 | C11 | C12 | CL2 | 17.2° | 175.0° |
| N4 | C11 | C12 | CL3 | 105.3° | 55.0° |
| N4 | C11 | C12 | H9 | 138.8° | 65.0° |
| C11 | C12 | CL2 | CL3 | 118.6° | 120.0° |
| C11 | C12 | CL2 | H9 | 123.1° | 120.0° |
| C11 | C12 | CL3 | H9 | 117.8° | 120.0° |
| C12 | C11 | N4 | H8 | 0.4° | 6.0° |
| O1 | C11 | C12 | CL2 | 164.4° | 5.0° |
| O1 | C11 | C12 | CL3 | 73.1° | 125.0° |
| O1 | C11 | N4 | H8 | 178.9° | 173.9° |
| O1 | C11 | C12 | H9 | 42.8° | 115.0° |
| CL2 | C12 | CL3 | H9 | 118.4° | 120.0° |
| C13 | N5 | C14 | C23 | 147.3° | 124.1° |
| C13 | N5 | C14 | C15 | 128.2° | 174.1° |
| C13 | N5 | C23 | C22 | 101.2° | 174.2° |
| N5 | C13 | C24 | C25 | 179.3° | 180.0° |
| C13 | N5 | C14 | H10 | 8.2° | 54.1° |
| C13 | N5 | C14 | H11 | 111.9° | 65.8° |
| C13 | N5 | C23 | H29 | 138.6° | 65.8° |
| C13 | N5 | C23 | H28 | 19.1° | 54.1° |
| N5 | C13 | C24 | H30 | 0.8° | 0.3° |
| C24 | C13 | N5 | C14 | 117.2° | 59.7° |
| C24 | C13 | N5 | C23 | 33.7° | 64.5° |
| C13 | C24 | C25 | H30 | 180.0° | 179.7° |
| C13 | C24 | C25 | O2 | 178.6° | 180.0° |
| N5 | C14 | C15 | H10 | 120.0° | 120.0° |
| N5 | C14 | C15 | H11 | 120.0° | 120.0° |
| N5 | C14 | C15 | C16 | 41.1° | 59.2° |
| C14 | N5 | C23 | C22 | 48.2° | 61.7° |
| N5 | C14 | H10 | H11 | 120.1° | 120.0° |
| N5 | C14 | C15 | H12 | 161.7° | 179.1° |
| N5 | C14 | C15 | H13 | 79.4° | 60.8° |
| C14 | N5 | C23 | H29 | 72.1° | 58.3° |
| C14 | N5 | C23 | H28 | 168.5° | 178.2° |
| C23 | N5 | C14 | C15 | 19.1° | 61.7° |
| N5 | C23 | C22 | C16 | 15.6° | 59.2° |
| N5 | C23 | C22 | H29 | 120.3° | 120.0° |
| N5 | C23 | C22 | H28 | 120.3° | 120.0° |
| C23 | N5 | C14 | H10 | 139.1° | 178.3° |
| C23 | N5 | C14 | H11 | 100.8° | 58.3° |
| N5 | C23 | C22 | H26 | 105.5° | 179.2° |
| N5 | C23 | C22 | H27 | 136.9° | 60.8° |
| N5 | C23 | H29 | H28 | 119.1° | 119.9° |
| C14 | C15 | C16 | H12 | 120.5° | 119.9° |
| C14 | C15 | C16 | H13 | 120.6° | 120.0° |
| C14 | C15 | C16 | N6 | 169.2° | 177.6° |
| C14 | C15 | C16 | C22 | 65.5° | 57.7° |
| C15 | C14 | H10 | H11 | 120.1° | 120.0° |
| C14 | C15 | H12 | H13 | 118.3° | 120.1° |
| C14 | C15 | C16 | H14 | 45.3° | 62.3° |
| C15 | C16 | N6 | C22 | 121.3° | 119.7° |
| C15 | C16 | N6 | H14 | 122.6° | 120.1° |
| C15 | C16 | C22 | H14 | 110.8° | 119.9° |
| C15 | C16 | N6 | C17 | 165.8° | 180.0° |
| C15 | C16 | N6 | C21 | 43.9° | 56.2° |
| C15 | C16 | C22 | C23 | 34.9° | 57.7° |
| C16 | C15 | C14 | H10 | 78.8° | 179.2° |
| C16 | C15 | C14 | H11 | 161.1° | 60.8° |
| C16 | C15 | H12 | H13 | 118.3° | 120.1° |
| C15 | C16 | C22 | H26 | 156.1° | 177.6° |
| C15 | C16 | C22 | H27 | 86.3° | 62.3° |
| N6 | C16 | C22 | H14 | 117.9° | 120.1° |
| C16 | N6 | C17 | C21 | 119.7° | 123.9° |
| C16 | N6 | C17 | C18 | 82.0° | 176.8° |
| C16 | N6 | C21 | C20 | 81.9° | 176.8° |
| N6 | C16 | C22 | C23 | 166.2° | 177.6° |
| N6 | C16 | C15 | H12 | 48.6° | 62.5° |
| N6 | C16 | C15 | H13 | 70.3° | 57.6° |
| C16 | N6 | C17 | H15 | 156.6° | 56.8° |
| C16 | N6 | C17 | H16 | 39.4° | 63.2° |
| C16 | N6 | C21 | H24 | 39.3° | 63.3° |
| C16 | N6 | C21 | H25 | 157.0° | 56.8° |
| N6 | C16 | C22 | H26 | 72.6° | 62.5° |
| N6 | C16 | C22 | H27 | 45.0° | 57.6° |
| C22 | C16 | N6 | C17 | 72.9° | 60.3° |
| C22 | C16 | N6 | C21 | 165.3° | 175.9° |
| C16 | C22 | C23 | H26 | 121.2° | 120.0° |
| C16 | C22 | C23 | H27 | 121.2° | 120.0° |
| C22 | C16 | C15 | H12 | 174.0° | 177.6° |
| C22 | C16 | C15 | H13 | 55.1° | 62.3° |
| C16 | C22 | H26 | H27 | 116.2° | 120.2° |
| C16 | C22 | C23 | H29 | 104.6° | 60.8° |
| C16 | C22 | C23 | H28 | 135.9° | 179.2° |
| N6 | C17 | C18 | H15 | 121.4° | 120.0° |
| N6 | C17 | C18 | H16 | 121.4° | 120.0° |
| N6 | C17 | C18 | N7 | 36.8° | 58.4° |
| C17 | N6 | C21 | C20 | 36.5° | 59.3° |
| C17 | N6 | C16 | H14 | 43.2° | 59.9° |
| N6 | C17 | H15 | H16 | 115.5° | 120.1° |
| N6 | C17 | C18 | H18 | 157.7° | 178.4° |
| N6 | C17 | C18 | H17 | 84.1° | 61.6° |
| C17 | N6 | C21 | H24 | 157.7° | 60.6° |
| C17 | N6 | C21 | H25 | 84.6° | 179.3° |
| C21 | N6 | C17 | C18 | 37.7° | 59.3° |
| N6 | C21 | C20 | N7 | 36.5° | 58.4° |
| N6 | C21 | C20 | H24 | 121.2° | 119.9° |
| N6 | C21 | C20 | H25 | 121.2° | 120.0° |
| C21 | N6 | C16 | H14 | 78.6° | 64.0° |
| C21 | N6 | C17 | H15 | 83.7° | 179.3° |
| C21 | N6 | C17 | H16 | 159.1° | 60.7° |
| N6 | C21 | C20 | H22 | 157.7° | 61.6° |
| N6 | C21 | C20 | H23 | 84.7° | 178.4° |
| N6 | C21 | H24 | H25 | 116.3° | 120.1° |
| C17 | C18 | N7 | H18 | 120.9° | 120.0° |
| C17 | C18 | N7 | H17 | 120.9° | 120.0° |
| C17 | C18 | N7 | C19 | 92.4° | 176.8° |
| C17 | C18 | N7 | C20 | 33.5° | 59.3° |
| C18 | C17 | H15 | H16 | 115.5° | 120.0° |
| C17 | C18 | H18 | H17 | 117.1° | 120.0° |
| C18 | N7 | C19 | C20 | 129.0° | 123.8° |
| C18 | N7 | C20 | C21 | 34.0° | 59.3° |
| N7 | C18 | C17 | H15 | 84.6° | 178.4° |
| N7 | C18 | C17 | H16 | 158.2° | 61.6° |
| N7 | C18 | H18 | H17 | 117.2° | 120.1° |
| C18 | N7 | C19 | H19 | 180.0° | 63.8° |
| C18 | N7 | C19 | H21 | 60.0° | 56.2° |
| C18 | N7 | C19 | H20 | 60.0° | 176.2° |
| C18 | N7 | C20 | H22 | 155.2° | 60.6° |
| C18 | N7 | C20 | H23 | 87.3° | 179.3° |
| C19 | N7 | C20 | C21 | 91.1° | 176.8° |
| C19 | N7 | C18 | H18 | 28.6° | 56.8° |
| C19 | N7 | C18 | H17 | 146.7° | 63.2° |
| N7 | C19 | H19 | H21 | 120.0° | 120.0° |
| N7 | C19 | H19 | H20 | 120.0° | 120.0° |
| N7 | C19 | H21 | H20 | 120.0° | 120.0° |
| C19 | N7 | C20 | H22 | 30.1° | 63.3° |
| C19 | N7 | C20 | H23 | 147.7° | 56.8° |
| N7 | C20 | C21 | H22 | 121.2° | 120.0° |
| N7 | C20 | C21 | H23 | 121.2° | 120.0° |
| C20 | N7 | C18 | H18 | 154.5° | 179.3° |
| C20 | N7 | C18 | H17 | 87.4° | 60.6° |
| C20 | N7 | C19 | H19 | 51.0° | 60.0° |
| C20 | N7 | C19 | H21 | 69.0° | 180.0° |
| C20 | N7 | C19 | H20 | 171.0° | 60.0° |
| N7 | C20 | H22 | H23 | 116.1° | 120.1° |
| N7 | C20 | C21 | H24 | 157.7° | 61.5° |
| N7 | C20 | C21 | H25 | 84.7° | 178.3° |
| C21 | C20 | H22 | H23 | 116.1° | 120.0° |
| C20 | C21 | H24 | H25 | 116.3° | 120.1° |
| C23 | C22 | C16 | H14 | 75.9° | 62.3° |
| C23 | C22 | H26 | H27 | 116.1° | 120.0° |
| C22 | C23 | H29 | H28 | 119.1° | 120.0° |
| C24 | C25 | O2 | C26 | 80.9° | 0.0° |
| O2 | C25 | C24 | H30 | 1.4° | 0.3° |
| C25 | O2 | C26 | H31 | 180.0° | 180.0° |
| C25 | O2 | C26 | H32 | 60.0° | 60.1° |
| C25 | O2 | C26 | H33 | 60.0° | 60.0° |
| O2 | C26 | H31 | H32 | 120.0° | 120.0° |
| O2 | C26 | H31 | H33 | 120.0° | 120.0° |
| O2 | C26 | H32 | H33 | 120.0° | 120.0° |
| C27 | C28 | C29 | H35 | 180.0° | 179.9° |
| C27 | C28 | C29 | C30 | 0.3° | 0.0° |
| C27 | C28 | C29 | H36 | 179.8° | 180.0° |
| C28 | C29 | C30 | H36 | 180.0° | 180.0° |
| C29 | C28 | C27 | H34 | 179.8° | 180.0° |
| C28 | C29 | C30 | H37 | 179.2° | 180.0° |
| C30 | C29 | C28 | H35 | 179.7° | 179.9° |
| H2 | C1 | H1 | H3 | 120.0° | 120.1° |
| H10 | C14 | C15 | H12 | 41.7° | 60.9° |
| H10 | C14 | C15 | H13 | 160.6° | 59.2° |
| H11 | C14 | C15 | H12 | 78.3° | 59.1° |
| H11 | C14 | C15 | H13 | 40.5° | 179.2° |
| H12 | C15 | C16 | H14 | 75.3° | 57.6° |
| H13 | C15 | C16 | H14 | 165.8° | 177.7° |
| H14 | C16 | C22 | H26 | 45.3° | 57.6° |
| H14 | C16 | C22 | H27 | 162.9° | 177.8° |
| H15 | C17 | C18 | H18 | 36.3° | 61.7° |
| H15 | C17 | C18 | H17 | 154.5° | 58.4° |
| H16 | C17 | C18 | H18 | 80.9° | 58.4° |
| H16 | C17 | C18 | H17 | 37.3° | 178.4° |
| H19 | C19 | H21 | H20 | 120.0° | 120.0° |
| H22 | C20 | C21 | H24 | 81.1° | 178.5° |
| H22 | C20 | C21 | H25 | 36.6° | 58.3° |
| H23 | C20 | C21 | H24 | 36.5° | 58.5° |
| H23 | C20 | C21 | H25 | 154.1° | 61.6° |
| H26 | C22 | C23 | H29 | 134.2° | 59.1° |
| H26 | C22 | C23 | H28 | 14.7° | 60.9° |
| H27 | C22 | C23 | H29 | 16.6° | 179.2° |
| H27 | C22 | C23 | H28 | 102.9° | 59.2° |
| H31 | C26 | H32 | H33 | 120.0° | 120.0° |
| H34 | C27 | C28 | H35 | 0.2° | 0.1° |
| H35 | C28 | C29 | H36 | 0.3° | 0.0° |
| H36 | C29 | C30 | H37 | 0.8° | 0.0° |
| H40 | C31 | H39 | H38 | 120.0° | 120.0° |
