OOO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C35 | C36 | doub | 1.38Å | 1.39Å | Aromatic |
| C35 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C36 | C37 | sing | 1.38Å | 1.39Å | Aromatic |
| C34 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
| C37 | C32 | doub | 1.39Å | 1.40Å | Aromatic |
| C33 | C32 | sing | 1.39Å | 1.41Å | Aromatic |
| C32 | O24 | sing | 1.36Å | 1.38Å | |
| O24 | C21 | sing | 1.36Å | 1.39Å | |
| N11 | C4 | sing | 1.38Å | 1.40Å | |
| C20 | C21 | doub | 1.39Å | 1.40Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C21 | C22 | sing | 1.39Å | 1.40Å | Aromatic |
| C19 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | N5 | doub | 1.33Å | 1.37Å | Aromatic |
| C4 | C3 | sing | 1.40Å | 1.41Å | Aromatic |
| N5 | C6 | sing | 1.32Å | 1.38Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C23 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | C10 | sing | 1.48Å | 1.46Å | |
| C3 | C10 | sing | 1.47Å | 1.45Å | Aromatic |
| C3 | C2 | doub | 1.41Å | 1.44Å | Aromatic |
| C6 | N7 | doub | 1.32Å | 1.35Å | Aromatic |
| C10 | C9 | doub | 1.36Å | 1.38Å | Aromatic |
| C2 | N7 | sing | 1.33Å | 1.37Å | Aromatic |
| C2 | N8 | sing | 1.37Å | 1.38Å | Aromatic |
| C9 | N8 | sing | 1.37Å | 1.39Å | Aromatic |
| N8 | C13 | sing | 1.46Å | 1.49Å | |
| C18 | C13 | sing | 1.53Å | 1.53Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C17 | C16 | sing | 1.53Å | 1.55Å | |
| C14 | C15 | sing | 1.53Å | 1.56Å | |
| C16 | C15 | sing | 1.53Å | 1.55Å | |
| C16 | N25 | sing | 1.47Å | 1.51Å | |
| N25 | C27 | sing | 1.47Å | 1.48Å | |
| O1 | C39 | sing | 1.45Å | 1.43Å | |
| O1 | C26 | sing | 1.34Å | 1.37Å | |
| C27 | C28 | sing | 1.53Å | 1.56Å | |
| C27 | C26 | sing | 1.51Å | 1.54Å | |
| C31 | C29 | sing | 1.53Å | 1.54Å | |
| C29 | C28 | sing | 1.53Å | 1.54Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C39 | C40 | sing | 1.53Å | 1.53Å | |
| C26 | O38 | doub | 1.21Å | 1.21Å | |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C9 | H2 | sing | 1.08Å | 1.08Å | |
| N11 | H3 | sing | 0.97Å | 1.00Å | |
| N11 | H4 | sing | 0.97Å | 1.00Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.08Å | 1.08Å | |
| C20 | H16 | sing | 1.08Å | 1.08Å | |
| C22 | H17 | sing | 1.08Å | 1.08Å | |
| C23 | H18 | sing | 1.08Å | 1.08Å | |
| N25 | H19 | sing | 1.01Å | 1.00Å | |
| C27 | H21 | sing | 1.09Å | 1.10Å | |
| C28 | H22 | sing | 1.09Å | 1.10Å | |
| C28 | H23 | sing | 1.09Å | 1.10Å | |
| C29 | H24 | sing | 1.09Å | 1.10Å | |
| C30 | H25 | sing | 1.09Å | 1.10Å | |
| C30 | H26 | sing | 1.09Å | 1.10Å | |
| C30 | H27 | sing | 1.09Å | 1.10Å | |
| C31 | H28 | sing | 1.09Å | 1.10Å | |
| C31 | H29 | sing | 1.09Å | 1.10Å | |
| C31 | H30 | sing | 1.09Å | 1.10Å | |
| C33 | H31 | sing | 1.08Å | 1.08Å | |
| C34 | H32 | sing | 1.08Å | 1.08Å | |
| C35 | H33 | sing | 1.08Å | 1.08Å | |
| C36 | H34 | sing | 1.08Å | 1.08Å | |
| C37 | H35 | sing | 1.08Å | 1.08Å | |
| C39 | H36 | sing | 1.09Å | 1.10Å | |
| C39 | H37 | sing | 1.09Å | 1.10Å | |
| C40 | H38 | sing | 1.09Å | 1.10Å | |
| C40 | H39 | sing | 1.09Å | 1.10Å | |
| C40 | H40 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C36 | C35 | C34 | 118.6° | 120.1° |
| C35 | C36 | C37 | 121.1° | 120.1° |
| C36 | C35 | H33 | 120.7° | 120.0° |
| C35 | C36 | H34 | 119.5° | 120.0° |
| C35 | C34 | C33 | 121.1° | 120.1° |
| C35 | C34 | H32 | 119.5° | 120.0° |
| C34 | C35 | H33 | 120.7° | 119.9° |
| C36 | C37 | C32 | 120.5° | 119.9° |
| C37 | C36 | H34 | 119.4° | 120.0° |
| C36 | C37 | H35 | 119.7° | 120.0° |
| C34 | C33 | C32 | 120.5° | 120.0° |
| C34 | C33 | H31 | 119.8° | 120.0° |
| C33 | C34 | H32 | 119.5° | 120.0° |
| C37 | C32 | C33 | 118.2° | 119.9° |
| C37 | C32 | O24 | 121.6° | 120.0° |
| C32 | C37 | H35 | 119.8° | 120.1° |
| C33 | C32 | O24 | 120.2° | 120.1° |
| C32 | C33 | H31 | 119.8° | 120.1° |
| C32 | O24 | C21 | 125.6° | 118.0° |
| O24 | C21 | C20 | 122.8° | 119.9° |
| O24 | C21 | C22 | 121.1° | 120.0° |
| N11 | C4 | N5 | 117.4° | 120.8° |
| N11 | C4 | C3 | 119.5° | 120.8° |
| C4 | N11 | H3 | 109.5° | 120.1° |
| C4 | N11 | H4 | 109.5° | 120.0° |
| C21 | C20 | C19 | 121.8° | 120.1° |
| C20 | C21 | C22 | 116.2° | 120.1° |
| C21 | C20 | H16 | 119.1° | 120.0° |
| C20 | C19 | C12 | 123.1° | 119.9° |
| C20 | C19 | H15 | 118.5° | 120.1° |
| C19 | C20 | H16 | 119.1° | 119.9° |
| C21 | C22 | C23 | 121.2° | 120.1° |
| C21 | C22 | H17 | 119.4° | 120.0° |
| C19 | C12 | C23 | 113.8° | 119.8° |
| C19 | C12 | C10 | 127.2° | 120.1° |
| C12 | C19 | H15 | 118.5° | 120.0° |
| N5 | C4 | C3 | 123.1° | 118.3° |
| C4 | N5 | C6 | 117.6° | 121.0° |
| C4 | C3 | C10 | 140.5° | 135.1° |
| C4 | C3 | C2 | 111.7° | 118.8° |
| N5 | C6 | N7 | 126.7° | 122.7° |
| N5 | C6 | H1 | 116.6° | 118.6° |
| C22 | C23 | C12 | 123.9° | 119.9° |
| C23 | C22 | H17 | 119.4° | 120.0° |
| C22 | C23 | H18 | 118.1° | 120.0° |
| C23 | C12 | C10 | 118.9° | 120.1° |
| C12 | C23 | H18 | 118.1° | 120.0° |
| C12 | C10 | C3 | 133.4° | 126.7° |
| C12 | C10 | C9 | 121.9° | 126.7° |
| C10 | C3 | C2 | 107.7° | 106.2° |
| C3 | C10 | C9 | 104.7° | 106.6° |
| C3 | C2 | N7 | 128.3° | 118.5° |
| C3 | C2 | N8 | 108.0° | 107.4° |
| C6 | N7 | C2 | 112.5° | 120.7° |
| N7 | C6 | H1 | 116.6° | 118.7° |
| C10 | C9 | N8 | 112.2° | 109.6° |
| C10 | C9 | H2 | 123.9° | 125.2° |
| N7 | C2 | N8 | 123.7° | 134.1° |
| C2 | N8 | C9 | 107.4° | 110.3° |
| C2 | N8 | C13 | 125.1° | 124.9° |
| C9 | N8 | C13 | 127.5° | 124.8° |
| N8 | C9 | H2 | 123.9° | 125.2° |
| N8 | C13 | C18 | 106.4° | 109.5° |
| N8 | C13 | C14 | 114.9° | 109.5° |
| N8 | C13 | H5 | 109.0° | 109.4° |
| C13 | C18 | C17 | 111.4° | 109.5° |
| C18 | C13 | C14 | 109.4° | 109.5° |
| C18 | C13 | H5 | 108.5° | 109.5° |
| C13 | C18 | H13 | 109.0° | 109.5° |
| C13 | C18 | H14 | 109.0° | 109.5° |
| C18 | C17 | C16 | 115.1° | 109.5° |
| C18 | C17 | H11 | 108.0° | 109.5° |
| C18 | C17 | H12 | 108.1° | 109.5° |
| C17 | C18 | H13 | 109.0° | 109.5° |
| C17 | C18 | H14 | 109.0° | 109.4° |
| C13 | C14 | C15 | 112.9° | 109.5° |
| C14 | C13 | H5 | 108.5° | 109.5° |
| C13 | C14 | H6 | 108.6° | 109.5° |
| C13 | C14 | H7 | 108.6° | 109.5° |
| C17 | C16 | C15 | 110.2° | 109.5° |
| C17 | C16 | N25 | 110.8° | 109.5° |
| C17 | C16 | H10 | 107.5° | 109.5° |
| C16 | C17 | H11 | 108.1° | 109.4° |
| C16 | C17 | H12 | 108.1° | 109.5° |
| C14 | C15 | C16 | 113.6° | 109.4° |
| C15 | C14 | H6 | 108.6° | 109.5° |
| C15 | C14 | H7 | 108.6° | 109.5° |
| C14 | C15 | H8 | 108.4° | 109.4° |
| C14 | C15 | H9 | 108.5° | 109.5° |
| C15 | C16 | N25 | 112.8° | 109.5° |
| C16 | C15 | H8 | 108.4° | 109.5° |
| C16 | C15 | H9 | 108.4° | 109.5° |
| C15 | C16 | H10 | 107.4° | 109.5° |
| C16 | N25 | C27 | 118.4° | 111.0° |
| N25 | C16 | H10 | 107.9° | 109.5° |
| C16 | N25 | H19 | 107.2° | 111.0° |
| N25 | C27 | C28 | 111.9° | 109.4° |
| N25 | C27 | C26 | 107.2° | 109.5° |
| C27 | N25 | H19 | 107.2° | 111.0° |
| N25 | C27 | H21 | 110.3° | 109.5° |
| C39 | O1 | C26 | 115.9° | 117.0° |
| O1 | C39 | C40 | 111.3° | 109.5° |
| O1 | C39 | H36 | 109.0° | 109.5° |
| O1 | C39 | H37 | 109.0° | 109.5° |
| O1 | C26 | C27 | 117.0° | 120.0° |
| O1 | C26 | O38 | 118.7° | 120.0° |
| C28 | C27 | C26 | 108.5° | 109.5° |
| C27 | C28 | C29 | 114.3° | 109.5° |
| C28 | C27 | H21 | 109.3° | 109.4° |
| C27 | C28 | H22 | 108.3° | 109.5° |
| C27 | C28 | H23 | 108.2° | 109.4° |
| C27 | C26 | O38 | 124.3° | 120.0° |
| C26 | C27 | H21 | 109.5° | 109.5° |
| C31 | C29 | C28 | 111.9° | 109.5° |
| C31 | C29 | C30 | 108.8° | 109.5° |
| C31 | C29 | H24 | 107.8° | 109.5° |
| C29 | C31 | H28 | 109.5° | 109.4° |
| C29 | C31 | H29 | 109.5° | 109.5° |
| C29 | C31 | H30 | 109.5° | 109.5° |
| C28 | C29 | C30 | 112.7° | 109.4° |
| C29 | C28 | H22 | 108.2° | 109.5° |
| C29 | C28 | H23 | 108.3° | 109.4° |
| C28 | C29 | H24 | 107.7° | 109.5° |
| C30 | C29 | H24 | 107.8° | 109.4° |
| C29 | C30 | H25 | 109.5° | 109.4° |
| C29 | C30 | H26 | 109.5° | 109.5° |
| C29 | C30 | H27 | 109.5° | 109.4° |
| C40 | C39 | H36 | 109.0° | 109.5° |
| C40 | C39 | H37 | 109.0° | 109.5° |
| C39 | C40 | H38 | 109.5° | 109.5° |
| C39 | C40 | H39 | 109.5° | 109.4° |
| C39 | C40 | H40 | 109.4° | 109.5° |
| H3 | N11 | H4 | 109.4° | 119.9° |
| H6 | C14 | H7 | 109.4° | 109.4° |
| H8 | C15 | H9 | 109.5° | 109.5° |
| H11 | C17 | H12 | 109.4° | 109.5° |
| H13 | C18 | H14 | 109.5° | 109.5° |
| H22 | C28 | H23 | 109.5° | 109.5° |
| H25 | C30 | H26 | 109.5° | 109.5° |
| H25 | C30 | H27 | 109.4° | 109.5° |
| H26 | C30 | H27 | 109.5° | 109.5° |
| H28 | C31 | H29 | 109.5° | 109.5° |
| H28 | C31 | H30 | 109.5° | 109.5° |
| H29 | C31 | H30 | 109.5° | 109.5° |
| H36 | C39 | H37 | 109.4° | 109.5° |
| H38 | C40 | H39 | 109.5° | 109.5° |
| H38 | C40 | H40 | 109.5° | 109.5° |
| H39 | C40 | H40 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C36 | C35 | C34 | H33 | 180.0° | 179.6° |
| C35 | C36 | C37 | H34 | 180.0° | 179.6° |
| C36 | C35 | C34 | C33 | 0.5° | 0.0° |
| C35 | C36 | C37 | C32 | 0.2° | 0.7° |
| C36 | C35 | C34 | H32 | 179.4° | 179.9° |
| C35 | C36 | C37 | H35 | 179.8° | 180.0° |
| C34 | C35 | C36 | C37 | 0.2° | 0.4° |
| C35 | C34 | C33 | H32 | 180.0° | 179.9° |
| C35 | C34 | C33 | C32 | 0.4° | 0.1° |
| C35 | C34 | C33 | H31 | 179.6° | 180.0° |
| C34 | C35 | C36 | H34 | 179.8° | 180.0° |
| C36 | C37 | C32 | H35 | 180.0° | 179.4° |
| C36 | C37 | C32 | C33 | 0.4° | 0.6° |
| C36 | C37 | C32 | O24 | 179.8° | 179.7° |
| C37 | C36 | C35 | H33 | 179.8° | 180.0° |
| C34 | C33 | C32 | C37 | 0.1° | 0.2° |
| C34 | C33 | C32 | H31 | 180.0° | 179.9° |
| C34 | C33 | C32 | O24 | 179.5° | 180.0° |
| C33 | C34 | C35 | H33 | 179.5° | 179.6° |
| C37 | C32 | C33 | O24 | 179.5° | 179.7° |
| C37 | C32 | O24 | C21 | 39.9° | 4.6° |
| C37 | C32 | C33 | H31 | 179.9° | 179.7° |
| C32 | C37 | C36 | H34 | 179.8° | 179.7° |
| C33 | C32 | O24 | C21 | 140.7° | 175.6° |
| C32 | C33 | C34 | H32 | 179.6° | 180.0° |
| C33 | C32 | C37 | H35 | 179.6° | 180.0° |
| C32 | O24 | C21 | C20 | 45.1° | 103.3° |
| C32 | O24 | C21 | C22 | 135.8° | 76.6° |
| O24 | C32 | C33 | H31 | 0.5° | 0.0° |
| O24 | C32 | C37 | H35 | 0.2° | 0.3° |
| O24 | C21 | C20 | C22 | 179.1° | 179.9° |
| O24 | C21 | C20 | C19 | 179.2° | 180.0° |
| O24 | C21 | C22 | C23 | 179.3° | 180.0° |
| O24 | C21 | C20 | H16 | 0.8° | 0.0° |
| O24 | C21 | C22 | H17 | 0.7° | 0.1° |
| N11 | C4 | N5 | C3 | 179.6° | 179.9° |
| N11 | C4 | N5 | C6 | 179.6° | 180.0° |
| N11 | C4 | C3 | C10 | 0.2° | 0.0° |
| N11 | C4 | C3 | C2 | 179.4° | 179.8° |
| C4 | N11 | H3 | H4 | 120.0° | 180.0° |
| C21 | C20 | C19 | H16 | 180.0° | 180.0° |
| C21 | C20 | C19 | C12 | 0.5° | 0.0° |
| C20 | C21 | C22 | C23 | 0.2° | 0.1° |
| C21 | C20 | C19 | H15 | 179.5° | 180.0° |
| C20 | C21 | C22 | H17 | 179.8° | 180.0° |
| C19 | C20 | C21 | C22 | 0.1° | 0.0° |
| C20 | C19 | C12 | H15 | 180.0° | 180.0° |
| C20 | C19 | C12 | C23 | 0.9° | 0.0° |
| C20 | C19 | C12 | C10 | 179.6° | 179.8° |
| C21 | C22 | C23 | H17 | 180.0° | 180.0° |
| C21 | C22 | C23 | C12 | 0.3° | 0.1° |
| C22 | C21 | C20 | H16 | 179.9° | 179.9° |
| C21 | C22 | C23 | H18 | 179.8° | 179.7° |
| C19 | C12 | C23 | C22 | 0.8° | 0.0° |
| C19 | C12 | C23 | C10 | 178.8° | 179.8° |
| C19 | C12 | C10 | C3 | 131.9° | 49.8° |
| C19 | C12 | C10 | C9 | 49.3° | 130.2° |
| C12 | C19 | C20 | H16 | 179.5° | 180.0° |
| C19 | C12 | C23 | H18 | 179.2° | 179.7° |
| N5 | C4 | C3 | C10 | 179.4° | 179.9° |
| N5 | C4 | C3 | C2 | 0.2° | 0.3° |
| C4 | N5 | C6 | N7 | 0.2° | 0.0° |
| C4 | N5 | C6 | H1 | 179.8° | 179.9° |
| N5 | C4 | N11 | H3 | 0.0° | 0.1° |
| N5 | C4 | N11 | H4 | 120.0° | 180.0° |
| C3 | C4 | N5 | C6 | 0.0° | 0.0° |
| C4 | C3 | C10 | C12 | 1.6° | 0.3° |
| C4 | C3 | C10 | C2 | 179.2° | 179.8° |
| C4 | C3 | C10 | C9 | 179.5° | 179.7° |
| C4 | C3 | C2 | N7 | 0.4° | 0.5° |
| C4 | C3 | C2 | N8 | 180.0° | 179.8° |
| C3 | C4 | N11 | H3 | 179.7° | 180.0° |
| C3 | C4 | N11 | H4 | 60.4° | 0.0° |
| N5 | C6 | N7 | H1 | 180.0° | 180.0° |
| N5 | C6 | N7 | C2 | 0.1° | 0.3° |
| C22 | C23 | C12 | H18 | 180.0° | 179.7° |
| C22 | C23 | C12 | C10 | 179.6° | 179.8° |
| C23 | C12 | C10 | C3 | 49.4° | 130.0° |
| C23 | C12 | C10 | C9 | 129.4° | 50.0° |
| C23 | C12 | C19 | H15 | 179.1° | 180.0° |
| C12 | C23 | C22 | H17 | 179.7° | 180.0° |
| C12 | C10 | C3 | C9 | 178.9° | 180.0° |
| C12 | C10 | C3 | C2 | 179.2° | 180.0° |
| C12 | C10 | C9 | N8 | 179.1° | 180.0° |
| C12 | C10 | C9 | H2 | 0.9° | 0.1° |
| C10 | C12 | C19 | H15 | 0.4° | 0.2° |
| C10 | C12 | C23 | H18 | 0.4° | 0.1° |
| C10 | C3 | C2 | N7 | 179.8° | 179.7° |
| C10 | C3 | C2 | N8 | 0.6° | 0.1° |
| C3 | C10 | C9 | N8 | 0.0° | 0.0° |
| C3 | C10 | C9 | H2 | 180.0° | 179.9° |
| C3 | C2 | N7 | C6 | 0.2° | 0.5° |
| C2 | C3 | C10 | C9 | 0.3° | 0.1° |
| C3 | C2 | N7 | N8 | 179.6° | 179.6° |
| C3 | C2 | N8 | C9 | 0.6° | 0.0° |
| C3 | C2 | N8 | C13 | 178.8° | 179.9° |
| C6 | N7 | C2 | N8 | 179.8° | 179.9° |
| C10 | C9 | N8 | C2 | 0.4° | 0.0° |
| C10 | C9 | N8 | H2 | 180.0° | 179.9° |
| C10 | C9 | N8 | C13 | 178.5° | 180.0° |
| N7 | C2 | N8 | C9 | 179.8° | 179.6° |
| N7 | C2 | N8 | C13 | 1.6° | 0.4° |
| C2 | N7 | C6 | H1 | 179.9° | 179.7° |
| C2 | N8 | C9 | C13 | 178.2° | 180.0° |
| C2 | N8 | C13 | C18 | 142.9° | 120.2° |
| C2 | N8 | C13 | C14 | 95.9° | 119.8° |
| C2 | N8 | C9 | H2 | 179.6° | 179.9° |
| C2 | N8 | C13 | H5 | 26.1° | 0.1° |
| C9 | N8 | C13 | C18 | 34.9° | 59.9° |
| C9 | N8 | C13 | C14 | 86.3° | 60.1° |
| C9 | N8 | C13 | H5 | 151.7° | 179.9° |
| N8 | C13 | C18 | C14 | 124.6° | 120.0° |
| N8 | C13 | C18 | H5 | 117.2° | 120.0° |
| N8 | C13 | C18 | C17 | 169.7° | 60.0° |
| N8 | C13 | C14 | H5 | 122.3° | 119.9° |
| N8 | C13 | C14 | C15 | 160.1° | 60.0° |
| C13 | N8 | C9 | H2 | 1.5° | 0.0° |
| N8 | C13 | C14 | H6 | 39.6° | 60.0° |
| N8 | C13 | C14 | H7 | 79.4° | 180.0° |
| N8 | C13 | C18 | H13 | 49.4° | 180.0° |
| N8 | C13 | C18 | H14 | 70.0° | 59.9° |
| C13 | C18 | C17 | H13 | 120.3° | 120.1° |
| C13 | C18 | C17 | H14 | 120.3° | 119.9° |
| C18 | C13 | C14 | H5 | 118.2° | 120.0° |
| C13 | C18 | C17 | C16 | 27.9° | 60.0° |
| C18 | C13 | C14 | C15 | 40.6° | 60.0° |
| C18 | C13 | C14 | H6 | 80.0° | 180.0° |
| C18 | C13 | C14 | H7 | 161.1° | 60.0° |
| C13 | C18 | C17 | H11 | 93.0° | 59.9° |
| C13 | C18 | C17 | H12 | 148.7° | 180.0° |
| C13 | C18 | H13 | H14 | 119.2° | 120.0° |
| C17 | C18 | C13 | C14 | 65.7° | 60.0° |
| C18 | C17 | C16 | H11 | 120.8° | 120.0° |
| C18 | C17 | C16 | H12 | 120.9° | 120.0° |
| C18 | C17 | C16 | C15 | 30.5° | 60.0° |
| C18 | C17 | C16 | N25 | 156.0° | 180.0° |
| C17 | C18 | C13 | H5 | 52.5° | 180.0° |
| C18 | C17 | C16 | H10 | 86.2° | 60.0° |
| C18 | C17 | H11 | H12 | 117.4° | 120.1° |
| C17 | C18 | H13 | H14 | 119.1° | 119.9° |
| C13 | C14 | C15 | H6 | 120.5° | 120.1° |
| C13 | C14 | C15 | H7 | 120.5° | 120.0° |
| C13 | C14 | C15 | C16 | 18.2° | 59.9° |
| C13 | C14 | H6 | H7 | 118.4° | 120.0° |
| C13 | C14 | C15 | H8 | 102.4° | 60.0° |
| C13 | C14 | C15 | H9 | 138.8° | 180.0° |
| C14 | C13 | C18 | H13 | 174.0° | 60.1° |
| C14 | C13 | C18 | H14 | 54.6° | 179.9° |
| C17 | C16 | C15 | C14 | 54.7° | 59.9° |
| C17 | C16 | C15 | N25 | 124.4° | 120.0° |
| C17 | C16 | C15 | H10 | 116.8° | 120.0° |
| C17 | C16 | N25 | H10 | 117.4° | 120.0° |
| C17 | C16 | N25 | C27 | 150.2° | 81.3° |
| C17 | C16 | C15 | H8 | 65.9° | 60.0° |
| C17 | C16 | C15 | H9 | 175.3° | 180.0° |
| C16 | C17 | H11 | H12 | 117.4° | 120.0° |
| C16 | C17 | C18 | H13 | 148.2° | 60.1° |
| C16 | C17 | C18 | H14 | 92.4° | 180.0° |
| C17 | C16 | N25 | H19 | 88.5° | 42.6° |
| C14 | C15 | C16 | H8 | 120.6° | 119.9° |
| C14 | C15 | C16 | H9 | 120.6° | 120.0° |
| C14 | C15 | C16 | N25 | 179.1° | 180.0° |
| C15 | C14 | C13 | H5 | 77.6° | 180.0° |
| C15 | C14 | H6 | H7 | 118.4° | 120.0° |
| C14 | C15 | H8 | H9 | 118.1° | 120.0° |
| C14 | C15 | C16 | H10 | 62.1° | 60.1° |
| C15 | C16 | N25 | H10 | 118.5° | 120.0° |
| C15 | C16 | N25 | C27 | 26.2° | 158.6° |
| C16 | C15 | C14 | H6 | 138.8° | 180.0° |
| C16 | C15 | C14 | H7 | 102.3° | 60.1° |
| C16 | C15 | H8 | H9 | 118.1° | 120.1° |
| C15 | C16 | C17 | H11 | 151.3° | 60.0° |
| C15 | C16 | C17 | H12 | 90.3° | 180.0° |
| C15 | C16 | N25 | H19 | 147.5° | 77.4° |
| C16 | N25 | C27 | H19 | 121.3° | 123.9° |
| C16 | N25 | C27 | C28 | 137.0° | 158.4° |
| C16 | N25 | C27 | C26 | 104.1° | 81.6° |
| N25 | C16 | C15 | H8 | 58.5° | 60.0° |
| N25 | C16 | C15 | H9 | 60.3° | 60.0° |
| N25 | C16 | C17 | H11 | 83.2° | 60.0° |
| N25 | C16 | C17 | H12 | 35.2° | 60.0° |
| C16 | N25 | C27 | H21 | 15.1° | 38.4° |
| N25 | C27 | C26 | O1 | 25.2° | 180.0° |
| N25 | C27 | C28 | C26 | 118.1° | 120.0° |
| N25 | C27 | C28 | H21 | 122.5° | 120.0° |
| N25 | C27 | C26 | H21 | 119.7° | 120.1° |
| N25 | C27 | C28 | C29 | 66.7° | 172.6° |
| N25 | C27 | C26 | O38 | 154.6° | 0.0° |
| C27 | N25 | C16 | H10 | 92.3° | 38.7° |
| N25 | C27 | C28 | H22 | 53.9° | 52.6° |
| N25 | C27 | C28 | H23 | 172.6° | 67.4° |
| C39 | O1 | C26 | C27 | 150.2° | 180.0° |
| O1 | C39 | C40 | H36 | 120.3° | 120.0° |
| O1 | C39 | C40 | H37 | 120.3° | 120.0° |
| C39 | O1 | C26 | O38 | 29.6° | 0.0° |
| O1 | C39 | H36 | H37 | 119.1° | 120.0° |
| O1 | C39 | C40 | H38 | 180.0° | 60.0° |
| O1 | C39 | C40 | H39 | 60.0° | 180.0° |
| O1 | C39 | C40 | H40 | 60.0° | 60.0° |
| O1 | C26 | C27 | C28 | 95.8° | 60.0° |
| O1 | C26 | C27 | O38 | 179.8° | 180.0° |
| C26 | O1 | C39 | C40 | 122.3° | 180.0° |
| O1 | C26 | C27 | H21 | 144.9° | 60.0° |
| C26 | O1 | C39 | H36 | 117.4° | 60.0° |
| C26 | O1 | C39 | H37 | 2.0° | 60.0° |
| C28 | C27 | C26 | H21 | 119.3° | 120.0° |
| C27 | C28 | C29 | C31 | 151.1° | 175.4° |
| C27 | C28 | C29 | H22 | 120.7° | 120.1° |
| C27 | C28 | C29 | H23 | 120.7° | 120.0° |
| C27 | C28 | C29 | C30 | 85.9° | 64.6° |
| C28 | C27 | C26 | O38 | 84.4° | 120.0° |
| C28 | C27 | N25 | H19 | 15.7° | 34.5° |
| C27 | C28 | H22 | H23 | 117.8° | 120.0° |
| C27 | C28 | C29 | H24 | 32.9° | 55.3° |
| C26 | C27 | C28 | C29 | 175.2° | 67.3° |
| C26 | C27 | N25 | H19 | 134.6° | 154.5° |
| C26 | C27 | C28 | H22 | 64.1° | 172.6° |
| C26 | C27 | C28 | H23 | 54.5° | 52.6° |
| C31 | C29 | C28 | C30 | 123.0° | 120.0° |
| C31 | C29 | C28 | H24 | 118.3° | 120.1° |
| C31 | C29 | C30 | H24 | 116.6° | 120.0° |
| C31 | C29 | C28 | H22 | 30.4° | 64.6° |
| C31 | C29 | C28 | H23 | 88.2° | 55.4° |
| C31 | C29 | C30 | H25 | 180.0° | 64.5° |
| C31 | C29 | C30 | H26 | 60.0° | 175.5° |
| C31 | C29 | C30 | H27 | 60.0° | 55.5° |
| C29 | C31 | H28 | H29 | 120.0° | 120.0° |
| C29 | C31 | H28 | H30 | 120.0° | 120.0° |
| C29 | C31 | H29 | H30 | 120.0° | 120.1° |
| C28 | C29 | C30 | H24 | 118.7° | 120.0° |
| C29 | C28 | C27 | H21 | 55.8° | 52.6° |
| C29 | C28 | H22 | H23 | 117.8° | 120.0° |
| C28 | C29 | C30 | H25 | 55.3° | 175.5° |
| C28 | C29 | C30 | H26 | 175.3° | 55.5° |
| C28 | C29 | C30 | H27 | 64.7° | 64.5° |
| C28 | C29 | C31 | H28 | 180.0° | 60.1° |
| C28 | C29 | C31 | H29 | 60.0° | 180.0° |
| C28 | C29 | C31 | H30 | 60.0° | 59.9° |
| C30 | C29 | C28 | H22 | 153.4° | 55.4° |
| C30 | C29 | C28 | H23 | 34.7° | 175.4° |
| C29 | C30 | H25 | H26 | 120.0° | 120.0° |
| C29 | C30 | H25 | H27 | 120.0° | 119.9° |
| C29 | C30 | H26 | H27 | 120.0° | 120.0° |
| C30 | C29 | C31 | H28 | 54.9° | 180.0° |
| C30 | C29 | C31 | H29 | 174.9° | 60.0° |
| C30 | C29 | C31 | H30 | 65.1° | 60.0° |
| C40 | C39 | H36 | H37 | 119.1° | 120.0° |
| C39 | C40 | H38 | H39 | 120.0° | 120.0° |
| C39 | C40 | H38 | H40 | 120.0° | 120.0° |
| C39 | C40 | H39 | H40 | 120.0° | 120.0° |
| O38 | C26 | C27 | H21 | 34.9° | 120.1° |
| H5 | C13 | C14 | H6 | 161.8° | 59.9° |
| H5 | C13 | C14 | H7 | 42.9° | 60.0° |
| H5 | C13 | C18 | H13 | 67.8° | 60.0° |
| H5 | C13 | C18 | H14 | 172.8° | 60.1° |
| H6 | C14 | C15 | H8 | 18.2° | 60.1° |
| H6 | C14 | C15 | H9 | 100.6° | 59.9° |
| H7 | C14 | C15 | H8 | 137.1° | 180.0° |
| H7 | C14 | C15 | H9 | 18.3° | 60.0° |
| H8 | C15 | C16 | H10 | 177.3° | 180.0° |
| H9 | C15 | C16 | H10 | 58.6° | 59.9° |
| H10 | C16 | C17 | H11 | 34.6° | 180.0° |
| H10 | C16 | C17 | H12 | 152.9° | 60.0° |
| H10 | C16 | N25 | H19 | 29.0° | 162.6° |
| H11 | C17 | C18 | H13 | 27.3° | 180.0° |
| H11 | C17 | C18 | H14 | 146.8° | 60.0° |
| H12 | C17 | C18 | H13 | 91.0° | 59.9° |
| H12 | C17 | C18 | H14 | 28.4° | 60.0° |
| H15 | C19 | C20 | H16 | 0.5° | 0.0° |
| H17 | C22 | C23 | H18 | 0.3° | 0.3° |
| H19 | N25 | C27 | H21 | 106.2° | 85.5° |
| H21 | C27 | C28 | H22 | 176.5° | 67.4° |
| H21 | C27 | C28 | H23 | 64.9° | 172.6° |
| H22 | C28 | C29 | H24 | 87.9° | 175.4° |
| H23 | C28 | C29 | H24 | 153.5° | 64.6° |
| H24 | C29 | C30 | H25 | 63.4° | 55.5° |
| H24 | C29 | C30 | H26 | 56.6° | 64.5° |
| H24 | C29 | C30 | H27 | 176.6° | 175.5° |
| H24 | C29 | C31 | H28 | 61.8° | 60.0° |
| H24 | C29 | C31 | H29 | 58.2° | 59.9° |
| H24 | C29 | C31 | H30 | 178.2° | 180.0° |
| H25 | C30 | H26 | H27 | 120.0° | 120.1° |
| H28 | C31 | H29 | H30 | 120.0° | 120.0° |
| H31 | C33 | C34 | H32 | 0.4° | 0.1° |
| H32 | C34 | C35 | H33 | 0.6° | 0.3° |
| H33 | C35 | C36 | H34 | 0.2° | 0.4° |
| H34 | C36 | C37 | H35 | 0.2° | 0.3° |
| H36 | C39 | C40 | H38 | 59.7° | 60.0° |
| H36 | C39 | C40 | H39 | 179.7° | 60.0° |
| H36 | C39 | C40 | H40 | 60.3° | 180.0° |
| H37 | C39 | C40 | H38 | 59.7° | 180.0° |
| H37 | C39 | C40 | H39 | 60.3° | 60.0° |
| H37 | C39 | C40 | H40 | 179.7° | 60.0° |
| H38 | C40 | H39 | H40 | 120.0° | 120.0° |
