A1BWM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C12 | doub | 1.38Å | 1.37Å | Aromatic |
| C13 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| N1 | C6 | doub | 1.32Å | 1.32Å | Aromatic |
| N1 | C2 | sing | 1.33Å | 1.32Å | Aromatic |
| N7 | C8 | sing | 1.39Å | 1.42Å | |
| N7 | C2 | sing | 1.38Å | 1.44Å | |
| C12 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.40Å | 1.38Å | Aromatic |
| C8 | C9 | doub | 1.39Å | 1.37Å | Aromatic |
| C2 | N3 | doub | 1.32Å | 1.32Å | Aromatic |
| O26 | C22 | sing | 1.34Å | 1.34Å | Aromatic |
| O26 | N25 | sing | 1.21Å | 1.40Å | Aromatic |
| C5 | C22 | sing | 1.47Å | 1.39Å | |
| C5 | C4 | doub | 1.41Å | 1.39Å | Aromatic |
| C11 | C16 | sing | 1.47Å | 1.49Å | |
| C11 | C10 | doub | 1.40Å | 1.36Å | Aromatic |
| N3 | C4 | sing | 1.33Å | 1.32Å | Aromatic |
| O19 | C16 | doub | 1.21Å | 1.20Å | |
| C9 | C10 | sing | 1.37Å | 1.42Å | Aromatic |
| C22 | N23 | doub | 1.32Å | 1.31Å | Aromatic |
| N25 | C24 | doub | 1.30Å | 1.33Å | Aromatic |
| C16 | O15 | sing | 1.34Å | 1.41Å | |
| C4 | N20 | sing | 1.38Å | 1.44Å | |
| C10 | C14 | sing | 1.51Å | 1.53Å | |
| N23 | C24 | sing | 1.34Å | 1.30Å | Aromatic |
| C24 | C27 | sing | 1.51Å | 1.52Å | |
| O15 | C14 | sing | 1.45Å | 1.42Å | |
| C14 | C17 | sing | 1.53Å | 1.53Å | |
| C14 | C18 | sing | 1.53Å | 1.52Å | |
| N20 | C21 | sing | 1.47Å | 1.45Å | |
| C27 | C36 | sing | 1.53Å | 1.47Å | |
| C27 | C40 | sing | 1.53Å | 1.48Å | |
| C21 | C28 | sing | 1.51Å | 1.52Å | |
| C21 | C29 | sing | 1.53Å | 1.52Å | |
| C31 | C28 | doub | 1.38Å | 1.37Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.38Å | Aromatic |
| C36 | C37 | sing | 1.53Å | 1.53Å | |
| C28 | C35 | sing | 1.38Å | 1.38Å | Aromatic |
| C40 | C39 | sing | 1.53Å | 1.54Å | |
| C29 | O30 | sing | 1.43Å | 1.40Å | |
| C32 | C33 | doub | 1.38Å | 1.38Å | Aromatic |
| C35 | C34 | doub | 1.38Å | 1.39Å | Aromatic |
| C37 | O38 | sing | 1.43Å | 1.46Å | |
| C33 | C34 | sing | 1.38Å | 1.38Å | Aromatic |
| C39 | O38 | sing | 1.43Å | 1.46Å | |
| C12 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C18 | H6 | sing | 1.09Å | 1.10Å | |
| C18 | H7 | sing | 1.09Å | 1.10Å | |
| C18 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C27 | H10 | sing | 1.09Å | 1.10Å | |
| C29 | H11 | sing | 1.09Å | 1.10Å | |
| C29 | H12 | sing | 1.09Å | 1.10Å | |
| C31 | H13 | sing | 1.08Å | 1.08Å | |
| C32 | H14 | sing | 1.08Å | 1.08Å | |
| C33 | H15 | sing | 1.08Å | 1.08Å | |
| C34 | H16 | sing | 1.08Å | 1.08Å | |
| C35 | H17 | sing | 1.08Å | 1.08Å | |
| C36 | H18 | sing | 1.09Å | 1.10Å | |
| C36 | H19 | sing | 1.09Å | 1.10Å | |
| C37 | H20 | sing | 1.09Å | 1.10Å | |
| C37 | H21 | sing | 1.09Å | 1.10Å | |
| C39 | H22 | sing | 1.09Å | 1.10Å | |
| C39 | H23 | sing | 1.09Å | 1.10Å | |
| C40 | H24 | sing | 1.09Å | 1.10Å | |
| C40 | H25 | sing | 1.09Å | 1.10Å | |
| C6 | H26 | sing | 1.08Å | 1.08Å | |
| C9 | H27 | sing | 1.08Å | 1.08Å | |
| N20 | H28 | sing | 0.97Å | 1.00Å | |
| N7 | H29 | sing | 0.97Å | 1.00Å | |
| O30 | H30 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C13 | C8 | 120.5° | 120.3° |
| C13 | C12 | C11 | 120.6° | 119.9° |
| C13 | C12 | H1 | 119.7° | 120.1° |
| C12 | C13 | H2 | 119.8° | 119.9° |
| C13 | C8 | N7 | 114.9° | 120.0° |
| C13 | C8 | C9 | 119.8° | 120.0° |
| C8 | C13 | H2 | 119.8° | 119.9° |
| C6 | N1 | C2 | 119.8° | 121.1° |
| N1 | C6 | C5 | 118.5° | 119.1° |
| N1 | C6 | H26 | 120.8° | 120.5° |
| N1 | C2 | N7 | 113.8° | 119.0° |
| N1 | C2 | N3 | 123.7° | 122.1° |
| C8 | N7 | C2 | 127.1° | 120.0° |
| N7 | C8 | C9 | 125.3° | 120.0° |
| C8 | N7 | H29 | 116.4° | 120.0° |
| N7 | C2 | N3 | 122.5° | 119.0° |
| C2 | N7 | H29 | 116.5° | 120.0° |
| C12 | C11 | C16 | 130.8° | 132.5° |
| C12 | C11 | C10 | 119.6° | 119.5° |
| C11 | C12 | H1 | 119.7° | 120.0° |
| C6 | C5 | C22 | 117.3° | 120.9° |
| C6 | C5 | C4 | 120.0° | 118.2° |
| C5 | C6 | H26 | 120.7° | 120.4° |
| C8 | C9 | C10 | 119.4° | 119.9° |
| C8 | C9 | H27 | 120.3° | 120.1° |
| C2 | N3 | C4 | 119.5° | 120.8° |
| C22 | O26 | N25 | 104.3° | 109.7° |
| O26 | C22 | C5 | 124.4° | 126.7° |
| O26 | C22 | N23 | 109.0° | 106.6° |
| O26 | N25 | C24 | 108.7° | 110.5° |
| C22 | C5 | C4 | 122.7° | 120.9° |
| C5 | C22 | N23 | 126.6° | 126.7° |
| C5 | C4 | N3 | 118.6° | 118.8° |
| C5 | C4 | N20 | 121.7° | 120.6° |
| C16 | C11 | C10 | 109.6° | 108.0° |
| C11 | C16 | O19 | 126.0° | 124.8° |
| C11 | C16 | O15 | 106.9° | 110.3° |
| C11 | C10 | C9 | 120.1° | 120.4° |
| C11 | C10 | C14 | 107.5° | 106.3° |
| N3 | C4 | N20 | 119.8° | 120.6° |
| O19 | C16 | O15 | 126.8° | 124.9° |
| C9 | C10 | C14 | 132.4° | 133.3° |
| C10 | C9 | H27 | 120.3° | 120.0° |
| C22 | N23 | C24 | 111.2° | 105.5° |
| N25 | C24 | N23 | 106.8° | 107.6° |
| N25 | C24 | C27 | 128.5° | 126.2° |
| C16 | O15 | C14 | 110.0° | 109.0° |
| C4 | N20 | C21 | 121.8° | 120.0° |
| C4 | N20 | H28 | 106.3° | 120.0° |
| C10 | C14 | O15 | 106.0° | 106.3° |
| C10 | C14 | C17 | 108.1° | 110.1° |
| C10 | C14 | C18 | 108.1° | 110.1° |
| N23 | C24 | C27 | 124.8° | 126.2° |
| C24 | C27 | C36 | 113.0° | 109.5° |
| C24 | C27 | C40 | 109.6° | 109.5° |
| C24 | C27 | H10 | 108.3° | 109.5° |
| O15 | C14 | C17 | 110.6° | 110.0° |
| O15 | C14 | C18 | 110.6° | 110.1° |
| C17 | C14 | C18 | 113.2° | 110.1° |
| C14 | C17 | H3 | 109.5° | 109.5° |
| C14 | C17 | H4 | 109.5° | 109.5° |
| C14 | C17 | H5 | 109.5° | 109.5° |
| C14 | C18 | H6 | 109.5° | 109.5° |
| C14 | C18 | H7 | 109.5° | 109.5° |
| C14 | C18 | H8 | 109.5° | 109.5° |
| N20 | C21 | C28 | 108.7° | 109.5° |
| N20 | C21 | C29 | 107.4° | 109.5° |
| N20 | C21 | H9 | 110.9° | 109.5° |
| C21 | N20 | H28 | 106.3° | 120.0° |
| C36 | C27 | C40 | 108.0° | 109.0° |
| C27 | C36 | C37 | 113.4° | 109.2° |
| C36 | C27 | H10 | 109.1° | 109.6° |
| C27 | C36 | H18 | 108.5° | 109.5° |
| C27 | C36 | H19 | 108.5° | 109.5° |
| C27 | C40 | C39 | 115.1° | 109.2° |
| C40 | C27 | H10 | 108.9° | 109.6° |
| C27 | C40 | H24 | 108.0° | 109.5° |
| C27 | C40 | H25 | 108.1° | 109.5° |
| C28 | C21 | C29 | 109.8° | 109.5° |
| C21 | C28 | C31 | 119.7° | 120.0° |
| C21 | C28 | C35 | 118.1° | 120.0° |
| C28 | C21 | H9 | 110.0° | 109.4° |
| C21 | C29 | O30 | 107.2° | 109.5° |
| C29 | C21 | H9 | 110.0° | 109.5° |
| C21 | C29 | H11 | 110.0° | 109.5° |
| C21 | C29 | H12 | 110.0° | 109.5° |
| C28 | C31 | C32 | 119.0° | 120.1° |
| C31 | C28 | C35 | 122.1° | 120.0° |
| C28 | C31 | H13 | 120.5° | 120.0° |
| C31 | C32 | C33 | 119.4° | 119.9° |
| C32 | C31 | H13 | 120.5° | 120.0° |
| C31 | C32 | H14 | 120.3° | 120.1° |
| C36 | C37 | O38 | 114.3° | 109.4° |
| C37 | C36 | H18 | 108.5° | 109.5° |
| C37 | C36 | H19 | 108.5° | 109.5° |
| C36 | C37 | H20 | 108.3° | 109.4° |
| C36 | C37 | H21 | 108.3° | 109.5° |
| C28 | C35 | C34 | 118.7° | 120.0° |
| C28 | C35 | H17 | 120.7° | 120.0° |
| C40 | C39 | O38 | 114.6° | 109.4° |
| C40 | C39 | H22 | 108.2° | 109.5° |
| C40 | C39 | H23 | 108.2° | 109.5° |
| C39 | C40 | H24 | 108.1° | 109.5° |
| C39 | C40 | H25 | 108.0° | 109.5° |
| O30 | C29 | H11 | 110.0° | 109.5° |
| O30 | C29 | H12 | 110.1° | 109.5° |
| C29 | O30 | H30 | 109.5° | 114.0° |
| C32 | C33 | C34 | 121.5° | 120.0° |
| C33 | C32 | H14 | 120.4° | 120.0° |
| C32 | C33 | H15 | 119.3° | 120.0° |
| C35 | C34 | C33 | 119.3° | 120.0° |
| C35 | C34 | H16 | 120.3° | 120.0° |
| C34 | C35 | H17 | 120.6° | 120.0° |
| C37 | O38 | C39 | 113.7° | 114.1° |
| O38 | C37 | H20 | 108.3° | 109.5° |
| O38 | C37 | H21 | 108.3° | 109.5° |
| C34 | C33 | H15 | 119.2° | 120.0° |
| C33 | C34 | H16 | 120.3° | 120.0° |
| O38 | C39 | H22 | 108.2° | 109.5° |
| O38 | C39 | H23 | 108.2° | 109.5° |
| H3 | C17 | H4 | 109.4° | 109.4° |
| H3 | C17 | H5 | 109.5° | 109.5° |
| H4 | C17 | H5 | 109.5° | 109.5° |
| H6 | C18 | H7 | 109.5° | 109.4° |
| H6 | C18 | H8 | 109.5° | 109.5° |
| H7 | C18 | H8 | 109.4° | 109.4° |
| H11 | C29 | H12 | 109.4° | 109.4° |
| H18 | C36 | H19 | 109.5° | 109.6° |
| H20 | C37 | H21 | 109.5° | 109.5° |
| H22 | C39 | H23 | 109.5° | 109.5° |
| H24 | C40 | H25 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C13 | C8 | H2 | 180.0° | 179.9° |
| C12 | C13 | C8 | N7 | 179.9° | 180.0° |
| C13 | C12 | C11 | H1 | 180.0° | 179.9° |
| C12 | C13 | C8 | C9 | 0.6° | 0.2° |
| C13 | C12 | C11 | C16 | 177.7° | 180.0° |
| C13 | C12 | C11 | C10 | 0.6° | 0.1° |
| C13 | C8 | N7 | C9 | 179.4° | 179.7° |
| C13 | C8 | N7 | C2 | 164.3° | 146.4° |
| C8 | C13 | C12 | C11 | 0.2° | 0.0° |
| C13 | C8 | C9 | C10 | 1.1° | 0.5° |
| C8 | C13 | C12 | H1 | 179.8° | 180.0° |
| C13 | C8 | C9 | H27 | 178.9° | 180.0° |
| C13 | C8 | N7 | H29 | 15.7° | 33.5° |
| C6 | N1 | C2 | N7 | 178.8° | 179.7° |
| N1 | C6 | C5 | H26 | 180.0° | 179.9° |
| C6 | N1 | C2 | N3 | 2.2° | 0.0° |
| N1 | C6 | C5 | C22 | 178.9° | 180.0° |
| N1 | C6 | C5 | C4 | 1.0° | 0.1° |
| N1 | C2 | N7 | C8 | 178.7° | 5.8° |
| N1 | C2 | N7 | N3 | 179.1° | 179.7° |
| C2 | N1 | C6 | C5 | 1.9° | 0.0° |
| N1 | C2 | N3 | C4 | 1.4° | 0.0° |
| C2 | N1 | C6 | H26 | 178.1° | 179.9° |
| N1 | C2 | N7 | H29 | 1.3° | 174.1° |
| C8 | N7 | C2 | H29 | 180.0° | 179.9° |
| C8 | N7 | C2 | N3 | 2.3° | 174.4° |
| N7 | C8 | C9 | C10 | 179.5° | 179.8° |
| N7 | C8 | C13 | H2 | 0.1° | 0.0° |
| N7 | C8 | C9 | H27 | 0.5° | 0.3° |
| C2 | N7 | C8 | C9 | 16.2° | 33.9° |
| N7 | C2 | N3 | C4 | 179.7° | 179.7° |
| C12 | C11 | C16 | C10 | 178.4° | 179.9° |
| C12 | C11 | C16 | O19 | 5.8° | 0.1° |
| C12 | C11 | C10 | C9 | 0.2° | 0.1° |
| C12 | C11 | C16 | O15 | 179.7° | 180.0° |
| C12 | C11 | C10 | C14 | 179.8° | 180.0° |
| C11 | C12 | C13 | H2 | 179.8° | 180.0° |
| C6 | C5 | C22 | O26 | 1.3° | 179.7° |
| C6 | C5 | C22 | C4 | 179.9° | 179.9° |
| C6 | C5 | C4 | N3 | 0.2° | 0.0° |
| C6 | C5 | C22 | N23 | 177.8° | 0.1° |
| C6 | C5 | C4 | N20 | 179.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.7° | 0.4° |
| C8 | C9 | C10 | H27 | 180.0° | 179.5° |
| C8 | C9 | C10 | C14 | 179.4° | 179.8° |
| C9 | C8 | C13 | H2 | 179.4° | 179.7° |
| C9 | C8 | N7 | H29 | 163.7° | 146.2° |
| C2 | N3 | C4 | C5 | 0.3° | 0.0° |
| C2 | N3 | C4 | N20 | 179.2° | 180.0° |
| N3 | C2 | N7 | H29 | 177.8° | 5.6° |
| O26 | C22 | C5 | N23 | 179.1° | 179.6° |
| O26 | C22 | C5 | C4 | 178.6° | 0.4° |
| C22 | O26 | N25 | C24 | 0.1° | 0.3° |
| O26 | C22 | N23 | C24 | 0.9° | 0.3° |
| N25 | O26 | C22 | C5 | 179.8° | 179.7° |
| N25 | O26 | C22 | N23 | 0.6° | 0.0° |
| O26 | N25 | C24 | N23 | 0.5° | 0.4° |
| O26 | N25 | C24 | C27 | 179.3° | 180.0° |
| C22 | C5 | C4 | N3 | 179.7° | 179.9° |
| C22 | C5 | C4 | N20 | 0.9° | 0.1° |
| C5 | C22 | N23 | C24 | 179.8° | 179.9° |
| C22 | C5 | C6 | H26 | 1.1° | 0.2° |
| C5 | C4 | N3 | N20 | 178.8° | 180.0° |
| C4 | C5 | C22 | N23 | 2.3° | 180.0° |
| C5 | C4 | N20 | C21 | 178.3° | 180.0° |
| C4 | C5 | C6 | H26 | 179.0° | 180.0° |
| C5 | C4 | N20 | H28 | 60.0° | 0.0° |
| C11 | C16 | O19 | O15 | 172.7° | 179.9° |
| C16 | C11 | C10 | C9 | 178.5° | 179.8° |
| C16 | C11 | C10 | C14 | 1.6° | 0.1° |
| C11 | C16 | O15 | C14 | 0.3° | 0.1° |
| C16 | C11 | C12 | H1 | 2.3° | 0.1° |
| C10 | C11 | C16 | O19 | 172.6° | 180.0° |
| C11 | C10 | C9 | C14 | 179.9° | 179.8° |
| C10 | C11 | C16 | O15 | 1.3° | 0.1° |
| C11 | C10 | C14 | O15 | 1.4° | 0.0° |
| C11 | C10 | C14 | C17 | 117.2° | 119.2° |
| C11 | C10 | C14 | C18 | 120.0° | 119.3° |
| C10 | C11 | C12 | H1 | 179.4° | 180.0° |
| C11 | C10 | C9 | H27 | 179.3° | 180.0° |
| N3 | C4 | N20 | C21 | 0.5° | 0.0° |
| N3 | C4 | N20 | H28 | 121.2° | 180.0° |
| O19 | C16 | O15 | C14 | 173.5° | 180.0° |
| C9 | C10 | C14 | O15 | 178.7° | 179.8° |
| C9 | C10 | C14 | C17 | 62.7° | 61.0° |
| C9 | C10 | C14 | C18 | 60.1° | 60.5° |
| C22 | N23 | C24 | N25 | 0.8° | 0.4° |
| C22 | N23 | C24 | C27 | 179.8° | 180.0° |
| N25 | C24 | N23 | C27 | 178.9° | 179.6° |
| N25 | C24 | C27 | C36 | 119.1° | 59.5° |
| N25 | C24 | C27 | C40 | 120.5° | 60.0° |
| N25 | C24 | C27 | H10 | 1.8° | 179.7° |
| C16 | O15 | C14 | C10 | 0.6° | 0.1° |
| C16 | O15 | C14 | C17 | 116.3° | 119.3° |
| C16 | O15 | C14 | C18 | 117.5° | 119.2° |
| C4 | N20 | C21 | H28 | 121.7° | 180.0° |
| C4 | N20 | C21 | C28 | 105.0° | 155.0° |
| C4 | N20 | C21 | C29 | 136.2° | 85.0° |
| C4 | N20 | C21 | H9 | 16.0° | 35.0° |
| C10 | C14 | O15 | C17 | 116.9° | 119.2° |
| C10 | C14 | O15 | C18 | 116.9° | 119.3° |
| C10 | C14 | C17 | C18 | 119.6° | 121.5° |
| C10 | C14 | C17 | H3 | 180.0° | 60.0° |
| C10 | C14 | C17 | H4 | 60.0° | 180.0° |
| C10 | C14 | C17 | H5 | 60.0° | 60.0° |
| C10 | C14 | C18 | H6 | 180.0° | 60.0° |
| C10 | C14 | C18 | H7 | 60.0° | 180.0° |
| C10 | C14 | C18 | H8 | 60.0° | 60.1° |
| C14 | C10 | C9 | H27 | 0.5° | 0.2° |
| N23 | C24 | C27 | C36 | 62.2° | 120.0° |
| N23 | C24 | C27 | C40 | 58.2° | 120.5° |
| N23 | C24 | C27 | H10 | 176.9° | 0.2° |
| C24 | C27 | C36 | C40 | 121.3° | 119.8° |
| C24 | C27 | C36 | H10 | 120.5° | 120.2° |
| C24 | C27 | C40 | H10 | 118.3° | 120.2° |
| C24 | C27 | C36 | C37 | 177.1° | 176.9° |
| C24 | C27 | C40 | C39 | 176.5° | 176.8° |
| C24 | C27 | C36 | H18 | 62.3° | 63.3° |
| C24 | C27 | C36 | H19 | 56.5° | 56.9° |
| C24 | C27 | C40 | H24 | 55.7° | 56.9° |
| C24 | C27 | C40 | H25 | 62.7° | 63.3° |
| O15 | C14 | C17 | C18 | 124.8° | 121.6° |
| O15 | C14 | C17 | H3 | 64.4° | 176.9° |
| O15 | C14 | C17 | H4 | 55.6° | 63.1° |
| O15 | C14 | C17 | H5 | 175.6° | 56.9° |
| O15 | C14 | C18 | H6 | 64.3° | 56.9° |
| O15 | C14 | C18 | H7 | 175.6° | 63.0° |
| O15 | C14 | C18 | H8 | 55.7° | 177.0° |
| C14 | C17 | H3 | H4 | 120.0° | 120.0° |
| C14 | C17 | H3 | H5 | 120.0° | 120.0° |
| C14 | C17 | H4 | H5 | 120.0° | 120.0° |
| C17 | C14 | C18 | H6 | 60.4° | 178.4° |
| C17 | C14 | C18 | H7 | 59.7° | 58.5° |
| C17 | C14 | C18 | H8 | 179.6° | 61.5° |
| C18 | C14 | C17 | H3 | 60.4° | 61.5° |
| C18 | C14 | C17 | H4 | 179.6° | 58.5° |
| C18 | C14 | C17 | H5 | 59.6° | 178.5° |
| C14 | C18 | H6 | H7 | 120.0° | 120.0° |
| C14 | C18 | H6 | H8 | 120.0° | 120.1° |
| C14 | C18 | H7 | H8 | 119.9° | 120.0° |
| N20 | C21 | C28 | C29 | 117.3° | 120.0° |
| N20 | C21 | C28 | H9 | 121.6° | 120.0° |
| N20 | C21 | C29 | H9 | 120.8° | 120.0° |
| N20 | C21 | C28 | C31 | 2.9° | 40.3° |
| N20 | C21 | C28 | C35 | 178.1° | 140.0° |
| N20 | C21 | C29 | O30 | 55.2° | 65.0° |
| N20 | C21 | C29 | H11 | 64.5° | 55.0° |
| N20 | C21 | C29 | H12 | 174.8° | 175.0° |
| C36 | C27 | C40 | H10 | 118.3° | 119.9° |
| C27 | C36 | C37 | H18 | 120.6° | 119.9° |
| C27 | C36 | C37 | H19 | 120.6° | 119.9° |
| C36 | C27 | C40 | C39 | 53.1° | 57.0° |
| C27 | C36 | C37 | O38 | 53.5° | 57.6° |
| C27 | C36 | H18 | H19 | 118.2° | 120.2° |
| C27 | C36 | C37 | H20 | 67.2° | 62.3° |
| C27 | C36 | C37 | H21 | 174.2° | 177.6° |
| C36 | C27 | C40 | H24 | 67.7° | 62.9° |
| C36 | C27 | C40 | H25 | 173.9° | 176.9° |
| C40 | C27 | C36 | C37 | 55.8° | 57.0° |
| C27 | C40 | C39 | H24 | 120.8° | 119.9° |
| C27 | C40 | C39 | H25 | 120.8° | 119.9° |
| C27 | C40 | C39 | O38 | 47.0° | 57.7° |
| C40 | C27 | C36 | H18 | 176.4° | 176.9° |
| C40 | C27 | C36 | H19 | 64.8° | 62.9° |
| C27 | C40 | C39 | H22 | 167.8° | 177.6° |
| C27 | C40 | C39 | H23 | 73.7° | 62.4° |
| C27 | C40 | H24 | H25 | 117.4° | 120.2° |
| C28 | C21 | C29 | H9 | 121.2° | 120.0° |
| C21 | C28 | C31 | C35 | 179.0° | 179.7° |
| C21 | C28 | C31 | C32 | 179.3° | 180.0° |
| C28 | C21 | C29 | O30 | 62.9° | 55.0° |
| C21 | C28 | C35 | C34 | 179.6° | 179.8° |
| C28 | C21 | C29 | H11 | 177.4° | 175.0° |
| C28 | C21 | C29 | H12 | 56.8° | 65.0° |
| C21 | C28 | C31 | H13 | 0.7° | 0.0° |
| C21 | C28 | C35 | H17 | 0.4° | 0.0° |
| C28 | C21 | N20 | H28 | 16.7° | 25.0° |
| C29 | C21 | C28 | C31 | 114.3° | 79.8° |
| C29 | C21 | C28 | C35 | 64.7° | 100.0° |
| C21 | C29 | O30 | H11 | 119.6° | 120.0° |
| C21 | C29 | O30 | H12 | 119.7° | 120.0° |
| C21 | C29 | H11 | H12 | 121.0° | 120.0° |
| C29 | C21 | N20 | H28 | 102.1° | 95.0° |
| C21 | C29 | O30 | H30 | 180.0° | 180.0° |
| C28 | C31 | C32 | H13 | 180.0° | 180.0° |
| C28 | C31 | C32 | C33 | 0.2° | 0.0° |
| C31 | C28 | C35 | C34 | 0.6° | 0.5° |
| C31 | C28 | C21 | H9 | 124.5° | 160.2° |
| C28 | C31 | C32 | H14 | 179.8° | 180.0° |
| C31 | C28 | C35 | H17 | 179.4° | 179.8° |
| C32 | C31 | C28 | C35 | 0.3° | 0.3° |
| C31 | C32 | C33 | H14 | 180.0° | 180.0° |
| C31 | C32 | C33 | C34 | 0.4° | 0.0° |
| C31 | C32 | C33 | H15 | 179.6° | 179.9° |
| C36 | C37 | O38 | H20 | 120.7° | 119.9° |
| C36 | C37 | O38 | H21 | 120.7° | 120.0° |
| C36 | C37 | O38 | C39 | 44.1° | 61.2° |
| C37 | C36 | C27 | H10 | 62.4° | 63.0° |
| C37 | C36 | H18 | H19 | 118.2° | 120.2° |
| C36 | C37 | H20 | H21 | 117.8° | 120.0° |
| C28 | C35 | C34 | H17 | 180.0° | 179.8° |
| C28 | C35 | C34 | C33 | 0.4° | 0.4° |
| C35 | C28 | C21 | H9 | 56.5° | 20.0° |
| C35 | C28 | C31 | H13 | 179.7° | 179.8° |
| C28 | C35 | C34 | H16 | 179.6° | 179.7° |
| C40 | C39 | O38 | C37 | 40.8° | 61.2° |
| C40 | C39 | O38 | H22 | 120.8° | 120.0° |
| C40 | C39 | O38 | H23 | 120.8° | 120.0° |
| C39 | C40 | C27 | H10 | 65.2° | 62.9° |
| C40 | C39 | H22 | H23 | 117.6° | 120.0° |
| C39 | C40 | H24 | H25 | 117.4° | 120.1° |
| O30 | C29 | C21 | H9 | 175.9° | 175.0° |
| O30 | C29 | H11 | H12 | 121.1° | 120.0° |
| C32 | C33 | C34 | C35 | 0.1° | 0.2° |
| C32 | C33 | C34 | H15 | 180.0° | 179.9° |
| C33 | C32 | C31 | H13 | 179.8° | 180.0° |
| C32 | C33 | C34 | H16 | 179.9° | 180.0° |
| C35 | C34 | C33 | H16 | 180.0° | 179.8° |
| C35 | C34 | C33 | H15 | 179.9° | 179.9° |
| O38 | C37 | C36 | H18 | 174.0° | 177.5° |
| O38 | C37 | C36 | H19 | 67.1° | 62.3° |
| O38 | C37 | H20 | H21 | 117.8° | 120.1° |
| C37 | O38 | C39 | H22 | 161.6° | 178.8° |
| C37 | O38 | C39 | H23 | 80.0° | 58.8° |
| C34 | C33 | C32 | H14 | 179.6° | 180.0° |
| C33 | C34 | C35 | H17 | 179.6° | 179.8° |
| C39 | O38 | C37 | H20 | 76.7° | 58.7° |
| C39 | O38 | C37 | H21 | 164.8° | 178.9° |
| O38 | C39 | H22 | H23 | 117.7° | 120.0° |
| O38 | C39 | C40 | H24 | 73.8° | 62.3° |
| O38 | C39 | C40 | H25 | 167.9° | 177.5° |
| H1 | C12 | C13 | H2 | 0.2° | 0.1° |
| H3 | C17 | H4 | H5 | 120.0° | 120.0° |
| H6 | C18 | H7 | H8 | 120.0° | 120.0° |
| H9 | C21 | C29 | H11 | 56.3° | 65.0° |
| H9 | C21 | C29 | H12 | 64.4° | 55.0° |
| H9 | C21 | N20 | H28 | 137.7° | 145.0° |
| H10 | C27 | C36 | H18 | 58.2° | 56.9° |
| H10 | C27 | C36 | H19 | 177.0° | 177.1° |
| H10 | C27 | C40 | H24 | 174.0° | 177.2° |
| H10 | C27 | C40 | H25 | 55.6° | 56.9° |
| H11 | C29 | O30 | H30 | 60.4° | 60.0° |
| H12 | C29 | O30 | H30 | 60.3° | 60.0° |
| H13 | C31 | C32 | H14 | 0.2° | 0.0° |
| H14 | C32 | C33 | H15 | 0.4° | 0.1° |
| H15 | C33 | C34 | H16 | 0.1° | 0.0° |
| H16 | C34 | C35 | H17 | 0.4° | 0.0° |
| H18 | C36 | C37 | H20 | 53.3° | 57.5° |
| H18 | C36 | C37 | H21 | 65.3° | 62.5° |
| H19 | C36 | C37 | H20 | 172.2° | 177.8° |
| H19 | C36 | C37 | H21 | 53.6° | 57.7° |
| H22 | C39 | C40 | H24 | 47.0° | 57.7° |
| H22 | C39 | C40 | H25 | 71.4° | 62.5° |
| H23 | C39 | C40 | H24 | 165.4° | 177.7° |
| H23 | C39 | C40 | H25 | 47.1° | 57.5° |
