63P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C29 | C28 | sing | 1.53Å | 1.52Å | |
| C30 | C26 | sing | 1.53Å | 1.56Å | |
| C28 | C27 | sing | 1.53Å | 1.53Å | |
| C27 | C26 | sing | 1.54Å | 1.55Å | |
| C26 | C31 | sing | 1.53Å | 1.55Å | |
| C26 | C23 | sing | 1.51Å | 1.54Å | |
| C31 | C32 | sing | 1.51Å | 1.52Å | |
| C24 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.41Å | Aromatic |
| C36 | C35 | sing | 1.40Å | 1.40Å | Aromatic |
| C36 | N5 | doub | 1.31Å | 1.33Å | Aromatic |
| C1 | N1 | sing | 1.47Å | 1.44Å | |
| C25 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C35 | C34 | doub | 1.38Å | 1.38Å | Aromatic |
| O2 | C11 | doub | 1.21Å | 1.23Å | |
| N1 | C2 | sing | 1.35Å | 1.39Å | |
| C32 | N3 | sing | 1.37Å | 1.39Å | |
| C32 | O4 | doub | 1.21Å | 1.23Å | |
| N3 | C3 | sing | 1.48Å | 1.46Å | |
| N5 | N6 | sing | 1.28Å | 1.35Å | Aromatic |
| C22 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C34 | N6 | sing | 1.37Å | 1.38Å | Aromatic |
| C34 | C33 | sing | 1.47Å | 1.45Å | |
| C20 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C20 | O3 | sing | 1.35Å | 1.37Å | |
| C7 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
| N6 | C37 | sing | 1.47Å | 1.44Å | |
| N4 | C33 | sing | 1.35Å | 1.39Å | |
| N4 | C12 | sing | 1.47Å | 1.46Å | |
| C11 | C12 | sing | 1.51Å | 1.53Å | |
| C11 | N2 | sing | 1.36Å | 1.39Å | |
| C2 | C3 | sing | 1.51Å | 1.53Å | |
| C2 | O1 | doub | 1.21Å | 1.23Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C13 | C12 | sing | 1.53Å | 1.54Å | |
| C13 | C14 | sing | 1.51Å | 1.51Å | |
| C15 | C14 | doub | 1.38Å | 1.41Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.50Å | 1.51Å | |
| C33 | O5 | doub | 1.22Å | 1.23Å | |
| O3 | C16 | sing | 1.35Å | 1.38Å | |
| C5 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| C8 | N2 | sing | 1.41Å | 1.42Å | |
| C8 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | C19 | sing | 1.38Å | 1.41Å | Aromatic |
| C16 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | CL1 | sing | 1.74Å | 1.73Å | |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C37 | H38 | sing | 1.09Å | 1.10Å | |
| C37 | H39 | sing | 1.09Å | 1.10Å | |
| N3 | H33 | sing | 0.97Å | 1.00Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| N2 | H13 | sing | 0.97Å | 1.00Å | |
| C7 | H10 | sing | 1.08Å | 1.08Å | |
| C6 | H9 | sing | 1.08Å | 1.08Å | |
| C9 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| N1 | H6 | sing | 0.97Å | 1.00Å | |
| C3 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.08Å | 1.08Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C22 | H20 | sing | 1.08Å | 1.08Å | |
| C24 | H21 | sing | 1.08Å | 1.08Å | |
| C25 | H22 | sing | 1.08Å | 1.08Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| C28 | H26 | sing | 1.09Å | 1.10Å | |
| C28 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | H27 | sing | 1.09Å | 1.10Å | |
| C30 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.08Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H32 | sing | 1.09Å | 1.10Å | |
| N4 | H34 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C30 | C29 | C28 | 105.5° | 107.0° |
| C29 | C30 | C26 | 105.4° | 107.1° |
| C30 | C29 | H28 | 110.5° | 109.8° |
| C30 | C29 | H27 | 110.4° | 109.9° |
| C29 | C30 | H29 | 110.5° | 109.1° |
| C29 | C30 | H30 | 110.5° | 110.5° |
| C29 | C28 | C27 | 105.4° | 107.6° |
| C29 | C28 | H26 | 110.5° | 109.6° |
| C29 | C28 | H25 | 110.5° | 109.8° |
| C28 | C29 | H28 | 110.4° | 110.0° |
| C28 | C29 | H27 | 110.5° | 109.8° |
| C30 | C26 | C27 | 97.8° | 106.9° |
| C30 | C26 | C31 | 108.3° | 109.9° |
| C30 | C26 | C23 | 113.9° | 111.1° |
| C26 | C30 | H29 | 110.5° | 109.5° |
| C26 | C30 | H30 | 110.5° | 111.0° |
| C28 | C27 | C26 | 105.2° | 107.7° |
| C28 | C27 | H24 | 110.5° | 109.7° |
| C28 | C27 | H23 | 110.6° | 109.9° |
| C27 | C28 | H26 | 110.5° | 109.9° |
| C27 | C28 | H25 | 110.4° | 109.8° |
| C27 | C26 | C31 | 112.9° | 109.6° |
| C27 | C26 | C23 | 112.4° | 108.6° |
| C26 | C27 | H24 | 110.5° | 109.5° |
| C26 | C27 | H23 | 110.5° | 109.9° |
| C31 | C26 | C23 | 110.9° | 110.7° |
| C26 | C31 | C32 | 117.2° | 110.3° |
| C26 | C31 | H31 | 107.5° | 109.9° |
| C26 | C31 | H32 | 107.5° | 109.2° |
| C26 | C23 | C24 | 123.2° | 120.4° |
| C26 | C23 | C22 | 120.0° | 119.7° |
| C31 | C32 | N3 | 114.1° | 118.5° |
| C31 | C32 | O4 | 120.8° | 120.5° |
| C32 | C31 | H31 | 107.5° | 109.4° |
| C32 | C31 | H32 | 107.5° | 109.0° |
| C23 | C24 | C25 | 121.4° | 120.1° |
| C24 | C23 | C22 | 116.8° | 119.8° |
| C23 | C24 | H21 | 119.3° | 120.7° |
| C24 | C25 | C20 | 120.3° | 120.3° |
| C25 | C24 | H21 | 119.3° | 119.2° |
| C24 | C25 | H22 | 119.8° | 119.7° |
| C23 | C22 | C21 | 122.1° | 120.4° |
| C23 | C22 | H20 | 118.9° | 119.9° |
| C35 | C36 | N5 | 112.6° | 107.8° |
| C36 | C35 | C34 | 105.7° | 105.4° |
| C35 | C36 | H36 | 123.7° | 126.0° |
| C36 | C35 | H35 | 127.1° | 127.4° |
| C36 | N5 | N6 | 103.3° | 111.0° |
| N5 | C36 | H36 | 123.7° | 126.1° |
| C1 | N1 | C2 | 122.3° | 120.0° |
| N1 | C1 | H4 | 109.5° | 109.4° |
| N1 | C1 | H3 | 109.5° | 109.5° |
| N1 | C1 | H5 | 109.5° | 109.5° |
| C1 | N1 | H6 | 118.8° | 120.0° |
| C25 | C20 | C21 | 119.3° | 119.4° |
| C25 | C20 | O3 | 117.6° | 118.8° |
| C20 | C25 | H22 | 119.8° | 120.0° |
| C35 | C34 | N6 | 104.0° | 106.2° |
| C35 | C34 | C33 | 130.1° | 126.9° |
| C34 | C35 | H35 | 127.1° | 127.3° |
| O2 | C11 | C12 | 121.1° | 120.0° |
| O2 | C11 | N2 | 126.4° | 121.7° |
| N1 | C2 | C3 | 114.4° | 120.0° |
| N1 | C2 | O1 | 124.1° | 120.0° |
| C2 | N1 | H6 | 118.9° | 120.0° |
| N3 | C32 | O4 | 125.1° | 121.0° |
| C32 | N3 | C3 | 122.4° | 115.8° |
| C32 | N3 | H33 | 118.8° | 122.0° |
| N3 | C3 | C2 | 107.9° | 109.0° |
| N3 | C3 | C4 | 112.6° | 110.0° |
| C3 | N3 | H33 | 118.7° | 122.2° |
| N3 | C3 | H1 | 109.5° | 109.8° |
| N5 | N6 | C34 | 114.3° | 109.6° |
| N5 | N6 | C37 | 118.1° | 125.2° |
| C22 | C21 | C20 | 119.9° | 120.0° |
| C22 | C21 | H19 | 120.1° | 120.0° |
| C21 | C22 | H20 | 118.9° | 119.8° |
| C7 | C6 | C5 | 120.9° | 120.4° |
| C6 | C7 | C8 | 120.6° | 120.2° |
| C6 | C7 | H10 | 119.7° | 118.5° |
| C7 | C6 | H9 | 119.5° | 119.2° |
| C6 | C5 | C4 | 120.0° | 120.7° |
| C6 | C5 | C10 | 118.5° | 119.4° |
| C5 | C6 | H9 | 119.5° | 120.4° |
| N6 | C34 | C33 | 125.9° | 126.9° |
| C34 | N6 | C37 | 127.5° | 125.2° |
| C34 | C33 | N4 | 115.2° | 120.0° |
| C34 | C33 | O5 | 122.8° | 120.0° |
| C21 | C20 | O3 | 123.1° | 121.8° |
| C20 | C21 | H19 | 120.0° | 120.0° |
| C20 | O3 | C16 | 119.1° | 125.4° |
| C7 | C8 | N2 | 123.6° | 121.5° |
| C7 | C8 | C9 | 118.6° | 119.6° |
| C8 | C7 | H10 | 119.7° | 121.4° |
| N6 | C37 | H37 | 109.5° | 109.4° |
| N6 | C37 | H38 | 109.5° | 109.5° |
| N6 | C37 | H39 | 109.4° | 109.4° |
| C33 | N4 | C12 | 121.8° | 119.9° |
| N4 | C33 | O5 | 122.0° | 120.0° |
| C33 | N4 | H34 | 119.1° | 120.0° |
| N4 | C12 | C11 | 104.3° | 109.4° |
| N4 | C12 | C13 | 110.5° | 110.2° |
| N4 | C12 | H2 | 110.7° | 109.0° |
| C12 | N4 | H34 | 119.1° | 120.0° |
| C12 | C11 | N2 | 112.5° | 118.2° |
| C11 | C12 | C13 | 111.8° | 109.0° |
| C11 | C12 | H2 | 109.8° | 109.4° |
| C11 | N2 | C8 | 125.7° | 115.2° |
| C11 | N2 | H13 | 117.2° | 123.5° |
| C3 | C2 | O1 | 121.1° | 120.0° |
| C2 | C3 | C4 | 109.8° | 109.0° |
| C2 | C3 | H1 | 108.6° | 108.9° |
| C3 | C4 | C5 | 113.8° | 111.1° |
| C3 | C4 | H7 | 108.4° | 109.1° |
| C3 | C4 | H8 | 108.4° | 109.3° |
| C4 | C3 | H1 | 108.5° | 110.1° |
| C12 | C13 | C14 | 113.4° | 110.3° |
| C12 | C13 | H15 | 108.5° | 109.9° |
| C12 | C13 | H14 | 108.5° | 109.3° |
| C13 | C12 | H2 | 109.7° | 109.8° |
| C13 | C14 | C15 | 118.6° | 120.3° |
| C13 | C14 | C19 | 123.0° | 119.5° |
| C14 | C13 | H15 | 108.5° | 109.1° |
| C14 | C13 | H14 | 108.5° | 109.2° |
| C14 | C15 | C16 | 120.9° | 120.1° |
| C15 | C14 | C19 | 118.3° | 120.1° |
| C14 | C15 | H16 | 119.6° | 119.9° |
| C15 | C16 | O3 | 124.0° | 121.8° |
| C15 | C16 | C17 | 119.7° | 119.4° |
| C16 | C15 | H16 | 119.5° | 120.0° |
| C4 | C5 | C10 | 121.5° | 119.9° |
| C5 | C4 | H7 | 108.4° | 109.2° |
| C5 | C4 | H8 | 108.4° | 109.3° |
| O3 | C16 | C17 | 116.2° | 118.7° |
| C5 | C10 | C9 | 120.5° | 120.5° |
| C5 | C10 | H12 | 119.8° | 119.7° |
| N2 | C8 | C9 | 117.9° | 118.9° |
| C8 | N2 | H13 | 117.1° | 121.1° |
| C8 | C9 | C10 | 120.8° | 119.9° |
| C8 | C9 | H11 | 119.6° | 119.5° |
| C14 | C19 | C18 | 120.7° | 120.0° |
| C14 | C19 | CL1 | 121.9° | 120.1° |
| C16 | C17 | C18 | 120.1° | 120.2° |
| C16 | C17 | H17 | 119.9° | 119.9° |
| C10 | C9 | H11 | 119.6° | 120.6° |
| C9 | C10 | H12 | 119.7° | 119.8° |
| C18 | C19 | CL1 | 117.4° | 119.9° |
| C19 | C18 | C17 | 120.2° | 120.0° |
| C19 | C18 | H18 | 119.9° | 120.0° |
| C17 | C18 | H18 | 119.9° | 120.0° |
| C18 | C17 | H17 | 120.0° | 119.8° |
| H37 | C37 | H38 | 109.5° | 109.5° |
| H37 | C37 | H39 | 109.5° | 109.5° |
| H38 | C37 | H39 | 109.5° | 109.5° |
| H7 | C4 | H8 | 109.5° | 108.8° |
| H15 | C13 | H14 | 109.5° | 109.0° |
| H4 | C1 | H3 | 109.5° | 109.5° |
| H4 | C1 | H5 | 109.4° | 109.5° |
| H3 | C1 | H5 | 109.5° | 109.5° |
| H24 | C27 | H23 | 109.5° | 110.1° |
| H26 | C28 | H25 | 109.5° | 110.1° |
| H28 | C29 | H27 | 109.5° | 110.3° |
| H29 | C30 | H30 | 109.5° | 109.6° |
| H31 | C31 | H32 | 109.5° | 109.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C30 | C29 | C28 | H28 | 119.4° | 119.2° |
| C30 | C29 | C28 | H27 | 119.4° | 119.2° |
| C29 | C30 | C26 | H29 | 119.4° | 118.2° |
| C29 | C30 | C26 | H30 | 119.3° | 120.7° |
| C30 | C29 | C28 | C27 | 1.0° | 11.8° |
| C29 | C30 | C26 | C27 | 42.4° | 18.2° |
| C29 | C30 | C26 | C31 | 159.7° | 137.1° |
| C29 | C30 | C26 | C23 | 76.3° | 100.1° |
| C30 | C29 | C28 | H26 | 120.4° | 131.2° |
| C30 | C29 | C28 | H25 | 118.4° | 107.7° |
| C30 | C29 | H28 | H27 | 121.8° | 121.2° |
| C29 | C30 | H29 | H30 | 121.9° | 121.1° |
| C28 | C29 | C30 | C26 | 26.7° | 18.6° |
| C29 | C28 | C27 | H26 | 119.4° | 119.3° |
| C29 | C28 | C27 | H25 | 119.4° | 119.5° |
| C29 | C28 | C27 | C26 | 28.4° | 0.5° |
| C29 | C28 | C27 | H24 | 90.9° | 118.7° |
| C29 | C28 | C27 | H23 | 147.8° | 120.2° |
| C29 | C28 | H26 | H25 | 121.9° | 120.9° |
| C28 | C29 | H28 | H27 | 121.9° | 121.3° |
| C28 | C29 | C30 | H29 | 146.1° | 99.9° |
| C28 | C29 | C30 | H30 | 92.6° | 139.6° |
| C30 | C26 | C27 | C28 | 43.0° | 10.9° |
| C30 | C26 | C27 | C31 | 113.7° | 119.1° |
| C30 | C26 | C27 | C23 | 119.9° | 119.9° |
| C30 | C26 | C31 | C23 | 125.7° | 123.1° |
| C30 | C26 | C31 | C32 | 179.1° | 45.9° |
| C30 | C26 | C23 | C24 | 24.3° | 15.5° |
| C30 | C26 | C23 | C22 | 156.8° | 165.1° |
| C30 | C26 | C27 | H24 | 76.3° | 130.2° |
| C30 | C26 | C27 | H23 | 162.4° | 108.7° |
| C26 | C30 | C29 | H28 | 146.1° | 100.8° |
| C26 | C30 | C29 | H27 | 92.7° | 137.7° |
| C26 | C30 | H29 | H30 | 121.9° | 121.9° |
| C30 | C26 | C31 | H31 | 59.8° | 166.6° |
| C30 | C26 | C31 | H32 | 58.0° | 74.0° |
| C28 | C27 | C26 | H24 | 119.3° | 119.3° |
| C28 | C27 | C26 | H23 | 119.4° | 119.7° |
| C28 | C27 | C26 | C31 | 156.7° | 130.0° |
| C28 | C27 | C26 | C23 | 76.9° | 109.0° |
| C28 | C27 | H24 | H23 | 122.0° | 121.0° |
| C27 | C28 | H26 | H25 | 121.8° | 121.0° |
| C27 | C28 | C29 | H28 | 118.4° | 107.4° |
| C27 | C28 | C29 | H27 | 120.4° | 131.0° |
| C27 | C26 | C31 | C23 | 127.2° | 119.7° |
| C27 | C26 | C31 | C32 | 72.0° | 163.1° |
| C27 | C26 | C23 | C24 | 134.3° | 101.8° |
| C27 | C26 | C23 | C22 | 46.8° | 77.6° |
| C26 | C27 | H24 | H23 | 121.9° | 120.9° |
| C26 | C27 | C28 | H26 | 147.8° | 119.8° |
| C26 | C27 | C28 | H25 | 90.9° | 119.0° |
| C27 | C26 | C30 | H29 | 161.8° | 100.0° |
| C27 | C26 | C30 | H30 | 76.9° | 138.9° |
| C27 | C26 | C31 | H31 | 166.9° | 76.2° |
| C27 | C26 | C31 | H32 | 49.1° | 43.3° |
| C26 | C31 | C32 | H31 | 121.1° | 121.0° |
| C26 | C31 | C32 | H32 | 121.1° | 120.0° |
| C31 | C26 | C23 | C24 | 98.2° | 137.9° |
| C31 | C26 | C23 | C22 | 80.7° | 42.7° |
| C26 | C31 | C32 | N3 | 74.3° | 154.1° |
| C26 | C31 | C32 | O4 | 106.2° | 25.0° |
| C31 | C26 | C27 | H24 | 37.4° | 110.7° |
| C31 | C26 | C27 | H23 | 83.9° | 10.4° |
| C31 | C26 | C30 | H29 | 80.9° | 18.9° |
| C31 | C26 | C30 | H30 | 40.4° | 102.2° |
| C26 | C31 | H31 | H32 | 116.5° | 119.7° |
| C23 | C26 | C31 | C32 | 55.2° | 77.2° |
| C26 | C23 | C24 | C22 | 178.9° | 179.4° |
| C26 | C23 | C24 | C25 | 177.5° | 179.6° |
| C26 | C23 | C22 | C21 | 178.2° | 179.9° |
| C26 | C23 | C22 | H20 | 1.7° | 0.4° |
| C26 | C23 | C24 | H21 | 2.5° | 0.9° |
| C23 | C26 | C27 | H24 | 163.8° | 10.3° |
| C23 | C26 | C27 | H23 | 42.5° | 131.3° |
| C23 | C26 | C30 | H29 | 43.0° | 141.7° |
| C23 | C26 | C30 | H30 | 164.3° | 20.6° |
| C23 | C26 | C31 | H31 | 65.9° | 43.5° |
| C23 | C26 | C31 | H32 | 176.3° | 163.0° |
| C31 | C32 | N3 | O4 | 179.4° | 179.1° |
| C31 | C32 | N3 | C3 | 173.0° | 169.4° |
| C31 | C32 | N3 | H33 | 7.0° | 10.5° |
| C32 | C31 | H31 | H32 | 116.5° | 119.1° |
| C23 | C24 | C25 | H21 | 180.0° | 179.5° |
| C23 | C24 | C25 | C20 | 0.2° | 0.6° |
| C24 | C23 | C22 | C21 | 2.8° | 0.7° |
| C24 | C23 | C22 | H20 | 177.2° | 179.0° |
| C23 | C24 | C25 | H22 | 179.7° | 179.4° |
| C25 | C24 | C23 | C22 | 3.6° | 1.0° |
| C24 | C25 | C20 | H22 | 180.0° | 180.0° |
| C24 | C25 | C20 | C21 | 4.0° | 0.1° |
| C24 | C25 | C20 | O3 | 179.8° | 179.6° |
| C23 | C22 | C21 | H20 | 180.0° | 179.6° |
| C23 | C22 | C21 | C20 | 1.3° | 0.1° |
| C23 | C22 | C21 | H19 | 178.7° | 179.9° |
| C22 | C23 | C24 | H21 | 176.5° | 178.5° |
| C35 | C36 | N5 | H36 | 180.0° | 179.7° |
| C36 | C35 | C34 | H35 | 180.0° | 179.9° |
| C35 | C36 | N5 | N6 | 1.5° | 0.1° |
| C36 | C35 | C34 | N6 | 1.2° | 0.0° |
| C36 | C35 | C34 | C33 | 178.7° | 179.9° |
| N5 | C36 | C35 | C34 | 1.8° | 0.1° |
| C36 | N5 | N6 | C34 | 0.7° | 0.1° |
| C36 | N5 | N6 | C37 | 176.9° | 180.0° |
| N5 | C36 | C35 | H35 | 178.2° | 179.9° |
| C1 | N1 | C2 | H6 | 180.0° | 180.0° |
| C1 | N1 | C2 | C3 | 175.1° | 180.0° |
| C1 | N1 | C2 | O1 | 1.3° | 0.0° |
| N1 | C1 | H4 | H3 | 120.0° | 120.0° |
| N1 | C1 | H4 | H5 | 120.0° | 120.0° |
| N1 | C1 | H3 | H5 | 120.0° | 120.0° |
| C25 | C20 | C21 | C22 | 4.8° | 0.5° |
| C25 | C20 | C21 | O3 | 176.0° | 179.5° |
| C25 | C20 | O3 | C16 | 141.0° | 130.4° |
| C25 | C20 | C21 | H19 | 175.2° | 179.4° |
| C20 | C25 | C24 | H21 | 179.8° | 178.9° |
| C35 | C34 | N6 | N5 | 0.4° | 0.0° |
| C35 | C34 | N6 | C33 | 179.9° | 180.0° |
| C35 | C34 | N6 | C37 | 177.8° | 180.0° |
| C35 | C34 | C33 | N4 | 11.6° | 5.8° |
| C35 | C34 | C33 | O5 | 169.9° | 174.1° |
| C34 | C35 | C36 | H36 | 178.2° | 179.7° |
| O2 | C11 | C12 | N4 | 46.6° | 129.3° |
| O2 | C11 | C12 | N2 | 179.8° | 178.0° |
| O2 | C11 | C12 | C13 | 72.9° | 8.7° |
| O2 | C11 | N2 | C8 | 8.6° | 55.7° |
| O2 | C11 | N2 | H13 | 171.4° | 130.0° |
| O2 | C11 | C12 | H2 | 165.2° | 111.4° |
| N1 | C2 | C3 | N3 | 47.5° | 160.0° |
| N1 | C2 | C3 | O1 | 174.1° | 180.0° |
| N1 | C2 | C3 | C4 | 75.6° | 79.9° |
| C2 | N1 | C1 | H4 | 180.0° | 60.0° |
| C2 | N1 | C1 | H3 | 60.0° | 180.0° |
| C2 | N1 | C1 | H5 | 60.0° | 60.0° |
| N1 | C2 | C3 | H1 | 166.0° | 40.2° |
| C32 | N3 | C3 | H33 | 180.0° | 179.9° |
| C32 | N3 | C3 | C2 | 94.4° | 112.6° |
| C32 | N3 | C3 | C4 | 144.3° | 127.9° |
| C32 | N3 | C3 | H1 | 23.5° | 6.6° |
| N3 | C32 | C31 | H31 | 164.6° | 84.9° |
| N3 | C32 | C31 | H32 | 46.8° | 34.1° |
| O4 | C32 | N3 | C3 | 6.5° | 9.6° |
| O4 | C32 | N3 | H33 | 173.5° | 170.5° |
| O4 | C32 | C31 | H31 | 14.9° | 96.0° |
| O4 | C32 | C31 | H32 | 132.7° | 144.9° |
| N3 | C3 | C2 | C4 | 123.0° | 120.1° |
| N3 | C3 | C2 | H1 | 118.5° | 119.8° |
| N3 | C3 | C2 | O1 | 138.4° | 20.0° |
| N3 | C3 | C4 | H1 | 121.3° | 121.2° |
| N3 | C3 | C4 | C5 | 61.7° | 84.4° |
| N3 | C3 | C4 | H7 | 177.7° | 155.2° |
| N3 | C3 | C4 | H8 | 59.0° | 36.3° |
| N5 | N6 | C34 | C37 | 177.4° | 180.0° |
| N5 | N6 | C34 | C33 | 179.5° | 180.0° |
| N6 | N5 | C36 | H36 | 178.5° | 179.7° |
| N5 | N6 | C37 | H37 | 0.0° | 86.3° |
| N5 | N6 | C37 | H38 | 120.0° | 33.6° |
| N5 | N6 | C37 | H39 | 120.0° | 153.7° |
| C22 | C21 | C20 | H19 | 180.0° | 179.9° |
| C22 | C21 | C20 | O3 | 179.2° | 180.0° |
| C7 | C6 | C5 | H9 | 180.0° | 179.1° |
| C6 | C7 | C8 | H10 | 180.0° | 179.7° |
| C7 | C6 | C5 | C4 | 177.1° | 179.9° |
| C7 | C6 | C5 | C10 | 2.4° | 0.7° |
| C6 | C7 | C8 | N2 | 177.7° | 179.5° |
| C6 | C7 | C8 | C9 | 2.4° | 0.1° |
| C5 | C6 | C7 | C8 | 0.5° | 0.7° |
| C6 | C5 | C4 | C3 | 111.0° | 37.7° |
| C6 | C5 | C4 | C10 | 179.5° | 179.5° |
| C6 | C5 | C10 | C9 | 1.5° | 0.1° |
| C6 | C5 | C4 | H7 | 128.4° | 82.7° |
| C6 | C5 | C4 | H8 | 9.7° | 158.3° |
| C5 | C6 | C7 | H10 | 179.5° | 179.1° |
| C6 | C5 | C10 | H12 | 178.5° | 179.9° |
| N6 | C34 | C33 | N4 | 168.3° | 174.2° |
| N6 | C34 | C33 | O5 | 10.2° | 5.9° |
| N6 | C34 | C35 | H35 | 178.8° | 179.9° |
| C34 | N6 | C37 | H37 | 177.3° | 93.7° |
| C34 | N6 | C37 | H38 | 62.7° | 146.4° |
| C34 | N6 | C37 | H39 | 57.3° | 26.3° |
| C33 | C34 | N6 | C37 | 2.2° | 0.0° |
| C34 | C33 | N4 | O5 | 178.6° | 179.9° |
| C34 | C33 | N4 | C12 | 173.9° | 175.3° |
| C33 | C34 | C35 | H35 | 1.3° | 0.1° |
| C34 | C33 | N4 | H34 | 6.1° | 4.6° |
| C21 | C20 | O3 | C16 | 42.9° | 50.1° |
| C20 | C21 | C22 | H20 | 178.7° | 179.7° |
| C21 | C20 | C25 | H22 | 176.0° | 179.9° |
| C20 | O3 | C16 | C15 | 37.2° | 58.8° |
| C20 | O3 | C16 | C17 | 146.8° | 121.5° |
| O3 | C20 | C21 | H19 | 0.8° | 0.1° |
| O3 | C20 | C25 | H22 | 0.2° | 0.4° |
| C7 | C8 | N2 | C11 | 13.8° | 20.6° |
| C7 | C8 | N2 | C9 | 179.9° | 179.4° |
| C7 | C8 | C9 | C10 | 3.2° | 0.5° |
| C7 | C8 | N2 | H13 | 166.2° | 165.0° |
| C8 | C7 | C6 | H9 | 179.6° | 178.4° |
| C7 | C8 | C9 | H11 | 176.8° | 179.7° |
| N6 | C37 | H37 | H38 | 120.0° | 120.0° |
| N6 | C37 | H37 | H39 | 120.0° | 119.9° |
| N6 | C37 | H38 | H39 | 120.0° | 120.0° |
| C33 | N4 | C12 | H34 | 180.0° | 180.0° |
| C33 | N4 | C12 | C11 | 80.1° | 91.5° |
| C33 | N4 | C12 | C13 | 159.6° | 148.8° |
| C33 | N4 | C12 | H2 | 37.8° | 28.1° |
| N4 | C12 | C11 | C13 | 119.4° | 120.6° |
| N4 | C12 | C11 | H2 | 118.6° | 119.3° |
| N4 | C12 | C11 | N2 | 133.7° | 52.7° |
| N4 | C12 | C13 | H2 | 122.3° | 120.1° |
| N4 | C12 | C13 | C14 | 170.8° | 9.7° |
| C12 | N4 | C33 | O5 | 4.7° | 4.8° |
| N4 | C12 | C13 | H15 | 50.2° | 110.6° |
| N4 | C12 | C13 | H14 | 68.7° | 129.8° |
| C11 | C12 | C13 | H2 | 122.0° | 119.8° |
| C11 | C12 | C13 | C14 | 73.5° | 129.7° |
| C12 | C11 | N2 | C8 | 171.6° | 126.3° |
| C12 | C11 | N2 | H13 | 8.4° | 48.0° |
| C11 | C12 | C13 | H15 | 165.9° | 9.4° |
| C11 | C12 | C13 | H14 | 47.0° | 110.2° |
| C11 | C12 | N4 | H34 | 99.8° | 88.6° |
| N2 | C11 | C12 | C13 | 106.9° | 173.2° |
| C11 | N2 | C8 | H13 | 180.0° | 174.5° |
| C11 | N2 | C8 | C9 | 166.3° | 158.9° |
| N2 | C11 | C12 | H2 | 15.0° | 66.7° |
| C2 | C3 | C4 | H1 | 118.5° | 119.4° |
| C2 | C3 | C4 | C5 | 178.1° | 156.1° |
| C2 | C3 | N3 | H33 | 85.5° | 67.3° |
| C2 | C3 | C4 | H7 | 57.5° | 35.7° |
| C2 | C3 | C4 | H8 | 61.2° | 83.2° |
| C3 | C2 | N1 | H6 | 4.9° | 0.0° |
| O1 | C2 | C3 | C4 | 98.5° | 100.1° |
| O1 | C2 | N1 | H6 | 178.7° | 180.0° |
| O1 | C2 | C3 | H1 | 19.9° | 139.8° |
| C3 | C4 | C5 | H7 | 120.6° | 120.4° |
| C3 | C4 | C5 | H8 | 120.6° | 120.6° |
| C3 | C4 | C5 | C10 | 68.5° | 142.8° |
| C4 | C3 | N3 | H33 | 35.7° | 52.2° |
| C3 | C4 | H7 | H8 | 118.0° | 119.2° |
| C12 | C13 | C14 | H15 | 120.6° | 120.8° |
| C12 | C13 | C14 | H14 | 120.6° | 120.1° |
| C12 | C13 | C14 | C15 | 96.0° | 101.4° |
| C12 | C13 | C14 | C19 | 82.9° | 79.1° |
| C12 | C13 | H15 | H14 | 118.2° | 119.8° |
| C13 | C12 | N4 | H34 | 20.4° | 31.2° |
| C13 | C14 | C15 | C19 | 179.0° | 179.5° |
| C13 | C14 | C15 | C16 | 177.1° | 180.0° |
| C13 | C14 | C19 | C18 | 177.7° | 179.6° |
| C13 | C14 | C19 | CL1 | 3.2° | 0.3° |
| C14 | C13 | H15 | H14 | 118.2° | 119.1° |
| C14 | C13 | C12 | H2 | 48.4° | 110.4° |
| C13 | C14 | C15 | H16 | 2.9° | 0.1° |
| C14 | C15 | C16 | H16 | 180.0° | 179.9° |
| C14 | C15 | C16 | O3 | 177.6° | 179.6° |
| C14 | C15 | C16 | C17 | 1.8° | 0.1° |
| C15 | C14 | C19 | C18 | 1.2° | 0.9° |
| C15 | C14 | C19 | CL1 | 177.8° | 179.2° |
| C15 | C14 | C13 | H15 | 143.4° | 19.4° |
| C15 | C14 | C13 | H14 | 24.5° | 138.4° |
| C15 | C16 | O3 | C17 | 176.0° | 179.7° |
| C16 | C15 | C14 | C19 | 2.0° | 0.5° |
| C15 | C16 | C17 | C18 | 0.8° | 0.4° |
| C15 | C16 | C17 | H17 | 179.2° | 179.6° |
| C4 | C5 | C10 | C9 | 178.0° | 179.6° |
| C5 | C4 | H7 | H8 | 118.1° | 119.2° |
| C4 | C5 | C6 | H9 | 2.8° | 1.1° |
| C5 | C4 | C3 | H1 | 59.7° | 36.8° |
| C4 | C5 | C10 | H12 | 2.0° | 0.4° |
| O5 | C33 | N4 | H34 | 175.3° | 175.2° |
| O3 | C16 | C17 | C18 | 177.0° | 179.3° |
| O3 | C16 | C15 | H16 | 2.4° | 0.3° |
| O3 | C16 | C17 | H17 | 3.0° | 0.7° |
| C5 | C10 | C9 | C8 | 1.3° | 0.5° |
| C5 | C10 | C9 | H12 | 180.0° | 180.0° |
| C10 | C5 | C4 | H7 | 52.1° | 96.8° |
| C10 | C5 | C4 | H8 | 170.8° | 22.2° |
| C10 | C5 | C6 | H9 | 177.6° | 178.4° |
| C5 | C10 | C9 | H11 | 178.7° | 179.7° |
| N2 | C8 | C9 | C10 | 176.8° | 178.9° |
| N2 | C8 | C7 | H10 | 2.3° | 0.2° |
| N2 | C8 | C9 | H11 | 3.2° | 0.9° |
| C8 | C9 | C10 | H11 | 180.0° | 179.8° |
| C9 | C8 | N2 | H13 | 13.7° | 15.6° |
| C9 | C8 | C7 | H10 | 177.7° | 179.6° |
| C8 | C9 | C10 | H12 | 178.7° | 179.5° |
| C14 | C19 | C18 | CL1 | 179.1° | 179.9° |
| C14 | C19 | C18 | C17 | 0.3° | 0.6° |
| C19 | C14 | C13 | H15 | 37.7° | 160.1° |
| C19 | C14 | C13 | H14 | 156.5° | 41.1° |
| C14 | C19 | C18 | H18 | 179.7° | 179.7° |
| C19 | C14 | C15 | H16 | 178.1° | 179.4° |
| C16 | C17 | C18 | C19 | 0.1° | 0.0° |
| C16 | C17 | C18 | H17 | 180.0° | 179.9° |
| C16 | C17 | C18 | H18 | 179.9° | 179.7° |
| C17 | C16 | C15 | H16 | 178.3° | 180.0° |
| C19 | C18 | C17 | H18 | 180.0° | 179.7° |
| C19 | C18 | C17 | H17 | 179.9° | 179.9° |
| CL1 | C19 | C18 | C17 | 178.8° | 179.4° |
| CL1 | C19 | C18 | H18 | 1.2° | 0.3° |
| H36 | C36 | C35 | H35 | 1.8° | 0.4° |
| H37 | C37 | H38 | H39 | 120.0° | 120.1° |
| H33 | N3 | C3 | H1 | 156.5° | 173.5° |
| H7 | C4 | C3 | H1 | 61.0° | 83.7° |
| H8 | C4 | C3 | H1 | 179.7° | 157.4° |
| H10 | C7 | C6 | H9 | 0.4° | 1.9° |
| H11 | C9 | C10 | H12 | 1.3° | 0.3° |
| H15 | C13 | C12 | H2 | 72.1° | 129.3° |
| H14 | C13 | C12 | H2 | 169.0° | 9.7° |
| H19 | C21 | C22 | H20 | 1.4° | 0.2° |
| H18 | C18 | C17 | H17 | 0.1° | 0.3° |
| H4 | C1 | H3 | H5 | 119.9° | 120.0° |
| H4 | C1 | N1 | H6 | 0.0° | 120.0° |
| H3 | C1 | N1 | H6 | 120.0° | 0.0° |
| H5 | C1 | N1 | H6 | 120.0° | 120.0° |
| H2 | C12 | N4 | H34 | 142.2° | 151.8° |
| H21 | C24 | C25 | H22 | 0.2° | 1.1° |
| H24 | C27 | C28 | H26 | 28.5° | 0.6° |
| H24 | C27 | C28 | H25 | 149.7° | 121.9° |
| H23 | C27 | C28 | H26 | 92.9° | 120.5° |
| H23 | C27 | C28 | H25 | 28.4° | 0.7° |
| H26 | C28 | C29 | H28 | 1.0° | 12.0° |
| H26 | C28 | C29 | H27 | 120.3° | 109.6° |
| H25 | C28 | C29 | H28 | 122.3° | 133.1° |
| H25 | C28 | C29 | H27 | 1.0° | 11.5° |
| H28 | C29 | C30 | H29 | 94.6° | 140.8° |
| H28 | C29 | C30 | H30 | 26.7° | 20.2° |
| H27 | C29 | C30 | H29 | 26.7° | 19.3° |
| H27 | C29 | C30 | H30 | 148.0° | 101.3° |
