HBW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O39 | C38 | doub | 1.21Å | 1.23Å | |
| C38 | N40 | sing | 1.35Å | 1.33Å | |
| C38 | C34 | sing | 1.51Å | 1.53Å | |
| N40 | C41 | sing | 1.47Å | 1.46Å | |
| C34 | C35 | sing | 1.54Å | 1.51Å | |
| C34 | N33 | sing | 1.47Å | 1.48Å | |
| O31 | S30 | doub | 1.42Å | 1.49Å | |
| C35 | C36 | sing | 1.55Å | 1.53Å | |
| N33 | S30 | sing | 1.66Å | 1.57Å | |
| N33 | C37 | sing | 1.47Å | 1.48Å | |
| O32 | S30 | doub | 1.42Å | 1.46Å | |
| S30 | C3 | sing | 1.76Å | 1.63Å | |
| C37 | C36 | sing | 1.55Å | 1.53Å | |
| C3 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| CL7 | C2 | sing | 1.74Å | 1.80Å | |
| C4 | C5 | sing | 1.38Å | 1.37Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.35Å | Aromatic |
| C1 | C9 | sing | 1.51Å | 1.50Å | |
| C6 | CL8 | sing | 1.74Å | 1.78Å | |
| F22 | C21 | sing | 1.40Å | 1.32Å | |
| C9 | O10 | sing | 1.43Å | 1.43Å | |
| O10 | C11 | sing | 1.36Å | 1.38Å | |
| C21 | C18 | sing | 1.51Å | 1.51Å | |
| C21 | F23 | sing | 1.40Å | 1.31Å | |
| C21 | F24 | sing | 1.40Å | 1.32Å | |
| N17 | C18 | doub | 1.31Å | 1.33Å | Aromatic |
| N17 | C16 | sing | 1.34Å | 1.36Å | Aromatic |
| C11 | C16 | doub | 1.41Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.37Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.39Å | 1.41Å | Aromatic |
| C16 | C15 | sing | 1.41Å | 1.49Å | Aromatic |
| C12 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C26 | C27 | doub | 1.35Å | 1.38Å | Aromatic |
| C26 | N25 | sing | 1.37Å | 1.34Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.36Å | 1.38Å | Aromatic |
| C15 | C14 | doub | 1.40Å | 1.40Å | Aromatic |
| C15 | C20 | sing | 1.41Å | 1.48Å | Aromatic |
| C20 | N25 | sing | 1.40Å | 1.33Å | |
| C27 | N28 | sing | 1.34Å | 1.35Å | Aromatic |
| N25 | C29 | sing | 1.36Å | 1.32Å | Aromatic |
| N28 | C29 | doub | 1.31Å | 1.38Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C19 | H3 | sing | 1.08Å | 1.08Å | |
| C26 | H4 | sing | 1.08Å | 1.08Å | |
| C27 | H5 | sing | 1.08Å | 1.08Å | |
| C29 | H6 | sing | 1.08Å | 1.08Å | |
| C14 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C37 | H12 | sing | 1.09Å | 1.10Å | |
| C37 | H13 | sing | 1.09Å | 1.10Å | |
| C36 | H14 | sing | 1.09Å | 1.10Å | |
| C36 | H15 | sing | 1.09Å | 1.10Å | |
| C35 | H16 | sing | 1.09Å | 1.10Å | |
| C35 | H17 | sing | 1.09Å | 1.10Å | |
| C34 | H18 | sing | 1.09Å | 1.10Å | |
| N40 | H19 | sing | 0.97Å | 1.00Å | |
| C41 | H20 | sing | 1.09Å | 1.10Å | |
| C41 | H21 | sing | 1.09Å | 1.10Å | |
| C41 | H22 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O39 | C38 | N40 | 118.9° | 120.1° |
| O39 | C38 | C34 | 124.9° | 120.0° |
| N40 | C38 | C34 | 116.1° | 120.0° |
| C38 | N40 | C41 | 130.1° | 120.0° |
| C38 | N40 | H19 | 114.9° | 120.0° |
| C38 | C34 | C35 | 115.1° | 109.9° |
| C38 | C34 | N33 | 115.5° | 110.2° |
| C38 | C34 | H18 | 106.7° | 110.0° |
| C41 | N40 | H19 | 115.0° | 120.0° |
| N40 | C41 | H20 | 109.5° | 109.5° |
| N40 | C41 | H21 | 109.5° | 109.4° |
| N40 | C41 | H22 | 109.5° | 109.4° |
| C35 | C34 | N33 | 105.0° | 107.3° |
| C34 | C35 | C36 | 103.8° | 103.0° |
| C34 | C35 | H16 | 110.9° | 110.9° |
| C34 | C35 | H17 | 110.9° | 110.7° |
| C35 | C34 | H18 | 106.8° | 109.9° |
| C34 | N33 | S30 | 106.4° | 125.6° |
| C34 | N33 | C37 | 109.3° | 108.7° |
| N33 | C34 | H18 | 107.2° | 109.6° |
| O31 | S30 | N33 | 107.0° | 106.4° |
| O31 | S30 | O32 | 98.5° | 123.2° |
| O31 | S30 | C3 | 106.4° | 106.4° |
| C35 | C36 | C37 | 107.7° | 101.6° |
| C35 | C36 | H14 | 109.9° | 111.0° |
| C35 | C36 | H15 | 109.9° | 111.0° |
| C36 | C35 | H16 | 110.9° | 110.7° |
| C36 | C35 | H17 | 110.9° | 110.7° |
| S30 | N33 | C37 | 111.8° | 125.7° |
| N33 | S30 | O32 | 114.3° | 106.4° |
| N33 | S30 | C3 | 118.1° | 107.2° |
| N33 | C37 | C36 | 104.8° | 104.8° |
| N33 | C37 | H12 | 110.6° | 110.4° |
| N33 | C37 | H13 | 110.6° | 110.4° |
| O32 | S30 | C3 | 110.3° | 106.4° |
| S30 | C3 | C4 | 120.0° | 120.0° |
| S30 | C3 | C2 | 121.5° | 120.0° |
| C36 | C37 | H12 | 110.6° | 110.4° |
| C36 | C37 | H13 | 110.6° | 110.4° |
| C37 | C36 | H14 | 109.9° | 111.0° |
| C37 | C36 | H15 | 109.9° | 111.0° |
| C4 | C3 | C2 | 118.4° | 120.1° |
| C3 | C4 | C5 | 119.0° | 120.0° |
| C3 | C4 | H1 | 120.5° | 120.0° |
| C3 | C2 | CL7 | 120.1° | 120.0° |
| C3 | C2 | C1 | 121.5° | 119.9° |
| CL7 | C2 | C1 | 118.4° | 120.0° |
| C4 | C5 | C6 | 121.7° | 120.0° |
| C5 | C4 | H1 | 120.5° | 120.0° |
| C4 | C5 | H2 | 119.1° | 120.0° |
| C2 | C1 | C6 | 119.2° | 120.0° |
| C2 | C1 | C9 | 121.3° | 120.0° |
| C5 | C6 | C1 | 120.1° | 120.0° |
| C5 | C6 | CL8 | 119.3° | 120.0° |
| C6 | C5 | H2 | 119.1° | 120.0° |
| C6 | C1 | C9 | 119.5° | 120.0° |
| C1 | C6 | CL8 | 120.5° | 120.0° |
| C1 | C9 | O10 | 110.6° | 109.5° |
| C1 | C9 | H10 | 109.2° | 109.4° |
| C1 | C9 | H11 | 109.1° | 109.4° |
| F22 | C21 | C18 | 111.7° | 109.5° |
| F22 | C21 | F23 | 107.7° | 109.5° |
| F22 | C21 | F24 | 109.3° | 109.5° |
| C9 | O10 | C11 | 121.6° | 117.0° |
| O10 | C9 | H10 | 109.2° | 109.5° |
| O10 | C9 | H11 | 109.2° | 109.5° |
| O10 | C11 | C16 | 119.4° | 120.2° |
| O10 | C11 | C12 | 122.0° | 120.1° |
| C18 | C21 | F23 | 107.8° | 109.5° |
| C18 | C21 | F24 | 108.6° | 109.4° |
| C21 | C18 | N17 | 116.1° | 119.1° |
| C21 | C18 | C19 | 121.1° | 119.1° |
| F23 | C21 | F24 | 111.9° | 109.4° |
| C18 | N17 | C16 | 120.6° | 121.6° |
| N17 | C18 | C19 | 122.8° | 121.8° |
| N17 | C16 | C11 | 120.5° | 121.0° |
| N17 | C16 | C15 | 120.0° | 120.0° |
| C16 | C11 | C12 | 118.7° | 119.7° |
| C11 | C16 | C15 | 119.5° | 119.0° |
| C11 | C12 | C13 | 121.6° | 120.9° |
| C11 | C12 | H9 | 119.2° | 119.5° |
| C18 | C19 | C20 | 122.7° | 119.7° |
| C18 | C19 | H3 | 118.7° | 120.1° |
| C16 | C15 | C14 | 118.9° | 119.7° |
| C16 | C15 | C20 | 118.6° | 118.9° |
| C12 | C13 | C14 | 121.8° | 120.9° |
| C12 | C13 | H8 | 119.1° | 119.5° |
| C13 | C12 | H9 | 119.2° | 119.5° |
| C27 | C26 | N25 | 105.0° | 106.8° |
| C26 | C27 | N28 | 107.7° | 108.2° |
| C27 | C26 | H4 | 127.5° | 126.5° |
| C26 | C27 | H5 | 126.1° | 125.9° |
| C26 | N25 | C20 | 119.9° | 126.5° |
| C26 | N25 | C29 | 113.2° | 107.0° |
| N25 | C26 | H4 | 127.5° | 126.6° |
| C19 | C20 | C15 | 115.3° | 117.9° |
| C19 | C20 | N25 | 124.7° | 121.0° |
| C20 | C19 | H3 | 118.7° | 120.2° |
| C13 | C14 | C15 | 119.5° | 119.7° |
| C13 | C14 | H7 | 120.2° | 120.1° |
| C14 | C13 | H8 | 119.1° | 119.6° |
| C14 | C15 | C20 | 122.5° | 121.3° |
| C15 | C14 | H7 | 120.3° | 120.2° |
| C15 | C20 | N25 | 119.8° | 121.0° |
| C20 | N25 | C29 | 126.6° | 126.5° |
| C27 | N28 | C29 | 109.1° | 109.4° |
| N28 | C27 | H5 | 126.1° | 125.9° |
| N25 | C29 | N28 | 104.9° | 108.5° |
| N25 | C29 | H6 | 127.5° | 125.7° |
| N28 | C29 | H6 | 127.6° | 125.7° |
| H10 | C9 | H11 | 109.5° | 109.5° |
| H12 | C37 | H13 | 109.5° | 110.4° |
| H14 | C36 | H15 | 109.5° | 110.8° |
| H16 | C35 | H17 | 109.5° | 110.7° |
| H20 | C41 | H21 | 109.5° | 109.5° |
| H20 | C41 | H22 | 109.5° | 109.5° |
| H21 | C41 | H22 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O39 | C38 | N40 | C34 | 178.0° | 180.0° |
| O39 | C38 | N40 | C41 | 178.0° | 0.0° |
| O39 | C38 | C34 | C35 | 94.2° | 118.6° |
| O39 | C38 | C34 | N33 | 28.5° | 0.6° |
| O39 | C38 | C34 | H18 | 147.5° | 120.4° |
| O39 | C38 | N40 | H19 | 2.0° | 180.0° |
| C38 | N40 | C41 | H19 | 180.0° | 180.0° |
| N40 | C38 | C34 | C35 | 88.0° | 61.4° |
| N40 | C38 | C34 | N33 | 149.3° | 179.4° |
| N40 | C38 | C34 | H18 | 30.3° | 59.6° |
| C38 | N40 | C41 | H20 | 180.0° | 60.0° |
| C38 | N40 | C41 | H21 | 60.0° | 180.0° |
| C38 | N40 | C41 | H22 | 60.0° | 60.0° |
| C34 | C38 | N40 | C41 | 4.0° | 180.0° |
| C38 | C34 | C35 | N33 | 128.1° | 119.8° |
| C38 | C34 | C35 | H18 | 118.2° | 121.1° |
| C38 | C34 | N33 | H18 | 118.7° | 121.1° |
| C38 | C34 | C35 | C36 | 158.1° | 141.6° |
| C38 | C34 | N33 | S30 | 82.0° | 61.5° |
| C38 | C34 | N33 | C37 | 157.1° | 118.2° |
| C38 | C34 | C35 | H16 | 39.0° | 99.9° |
| C38 | C34 | C35 | H17 | 82.8° | 23.3° |
| C34 | C38 | N40 | H19 | 176.0° | 0.1° |
| N40 | C41 | H20 | H21 | 120.0° | 120.0° |
| N40 | C41 | H20 | H22 | 120.0° | 120.0° |
| N40 | C41 | H21 | H22 | 120.0° | 119.9° |
| C35 | C34 | N33 | H18 | 113.4° | 119.3° |
| C34 | C35 | C36 | H16 | 119.1° | 118.6° |
| C34 | C35 | C36 | H17 | 119.1° | 118.3° |
| C35 | C34 | N33 | S30 | 150.1° | 178.9° |
| C35 | C34 | N33 | C37 | 29.2° | 1.4° |
| C34 | C35 | C36 | C37 | 20.8° | 35.3° |
| C34 | C35 | C36 | H14 | 140.6° | 82.8° |
| C34 | C35 | C36 | H15 | 98.9° | 153.4° |
| C34 | C35 | H16 | H17 | 122.6° | 123.2° |
| C34 | N33 | S30 | O31 | 43.0° | 148.2° |
| N33 | C34 | C35 | C36 | 30.0° | 21.8° |
| C34 | N33 | S30 | C37 | 119.3° | 179.6° |
| C34 | N33 | S30 | O32 | 150.8° | 15.2° |
| C34 | N33 | S30 | C3 | 76.9° | 98.4° |
| C34 | N33 | C37 | C36 | 15.7° | 24.4° |
| C34 | N33 | C37 | H12 | 103.6° | 143.2° |
| C34 | N33 | C37 | H13 | 135.0° | 94.5° |
| N33 | C34 | C35 | H16 | 89.1° | 140.3° |
| N33 | C34 | C35 | H17 | 149.1° | 96.5° |
| O31 | S30 | N33 | O32 | 107.9° | 133.0° |
| O31 | S30 | N33 | C3 | 119.9° | 113.5° |
| O31 | S30 | N33 | C37 | 162.3° | 31.5° |
| O31 | S30 | O32 | C3 | 111.0° | 122.9° |
| O31 | S30 | C3 | C4 | 38.3° | 1.1° |
| O31 | S30 | C3 | C2 | 137.9° | 178.8° |
| C35 | C36 | C37 | N33 | 3.7° | 37.0° |
| C35 | C36 | C37 | H14 | 119.7° | 118.1° |
| C35 | C36 | C37 | H15 | 119.7° | 118.1° |
| C35 | C36 | C37 | H12 | 123.0° | 155.9° |
| C35 | C36 | C37 | H13 | 115.5° | 81.8° |
| C35 | C36 | H14 | H15 | 120.8° | 123.9° |
| C36 | C35 | H16 | H17 | 122.6° | 123.1° |
| C36 | C35 | C34 | H18 | 83.7° | 97.3° |
| N33 | S30 | O32 | C3 | 135.9° | 114.1° |
| S30 | N33 | C37 | C36 | 133.3° | 155.9° |
| N33 | S30 | C3 | C4 | 81.8° | 112.4° |
| N33 | S30 | C3 | C2 | 102.0° | 67.7° |
| S30 | N33 | C37 | H12 | 14.0° | 37.1° |
| S30 | N33 | C37 | H13 | 107.5° | 85.2° |
| S30 | N33 | C34 | H18 | 36.7° | 59.6° |
| C37 | N33 | S30 | O32 | 89.9° | 164.5° |
| C37 | N33 | S30 | C3 | 42.4° | 82.0° |
| N33 | C37 | C36 | H12 | 119.3° | 118.8° |
| N33 | C37 | C36 | H13 | 119.3° | 118.9° |
| N33 | C37 | H12 | H13 | 122.1° | 122.3° |
| N33 | C37 | C36 | H14 | 123.4° | 81.0° |
| N33 | C37 | C36 | H15 | 116.0° | 155.2° |
| C37 | N33 | C34 | H18 | 84.2° | 120.7° |
| O32 | S30 | C3 | C4 | 144.1° | 134.0° |
| O32 | S30 | C3 | C2 | 32.1° | 45.9° |
| S30 | C3 | C4 | C2 | 176.3° | 179.9° |
| S30 | C3 | C2 | CL7 | 3.7° | 0.1° |
| S30 | C3 | C4 | C5 | 177.7° | 179.9° |
| S30 | C3 | C2 | C1 | 178.1° | 180.0° |
| S30 | C3 | C4 | H1 | 2.3° | 0.0° |
| C36 | C37 | H12 | H13 | 122.1° | 122.3° |
| C37 | C36 | H14 | H15 | 120.8° | 123.9° |
| C37 | C36 | C35 | H16 | 98.3° | 153.9° |
| C37 | C36 | C35 | H17 | 139.9° | 83.0° |
| C4 | C3 | C2 | CL7 | 180.0° | 180.0° |
| C3 | C4 | C5 | H1 | 180.0° | 179.9° |
| C4 | C3 | C2 | C1 | 1.9° | 0.0° |
| C3 | C4 | C5 | C6 | 0.3° | 0.1° |
| C3 | C4 | C5 | H2 | 179.7° | 180.0° |
| C3 | C2 | CL7 | C1 | 178.2° | 180.0° |
| C2 | C3 | C4 | C5 | 1.4° | 0.0° |
| C3 | C2 | C1 | C6 | 1.2° | 0.0° |
| C3 | C2 | C1 | C9 | 179.5° | 179.7° |
| C2 | C3 | C4 | H1 | 178.6° | 179.9° |
| CL7 | C2 | C1 | C6 | 179.4° | 180.0° |
| CL7 | C2 | C1 | C9 | 1.3° | 0.3° |
| C4 | C5 | C6 | H2 | 180.0° | 180.0° |
| C4 | C5 | C6 | C1 | 0.4° | 0.1° |
| C4 | C5 | C6 | CL8 | 178.9° | 179.7° |
| C2 | C1 | C6 | C5 | 0.1° | 0.0° |
| C2 | C1 | C6 | C9 | 179.3° | 179.7° |
| C2 | C1 | C6 | CL8 | 179.3° | 179.7° |
| C2 | C1 | C9 | O10 | 100.9° | 89.8° |
| C2 | C1 | C9 | H10 | 138.9° | 30.3° |
| C2 | C1 | C9 | H11 | 19.3° | 150.3° |
| C5 | C6 | C1 | CL8 | 179.2° | 179.7° |
| C5 | C6 | C1 | C9 | 179.4° | 179.8° |
| C6 | C5 | C4 | H1 | 179.7° | 180.0° |
| C6 | C1 | C9 | O10 | 79.8° | 90.0° |
| C1 | C6 | C5 | H2 | 179.6° | 180.0° |
| C6 | C1 | C9 | H10 | 40.4° | 150.0° |
| C6 | C1 | C9 | H11 | 160.0° | 30.0° |
| C9 | C1 | C6 | CL8 | 1.4° | 0.0° |
| C1 | C9 | O10 | H10 | 120.2° | 120.0° |
| C1 | C9 | O10 | H11 | 120.1° | 119.9° |
| C1 | C9 | O10 | C11 | 151.8° | 180.0° |
| C1 | C9 | H10 | H11 | 119.4° | 120.0° |
| CL8 | C6 | C5 | H2 | 1.1° | 0.3° |
| F22 | C21 | C18 | F23 | 118.1° | 120.0° |
| F22 | C21 | C18 | F24 | 120.6° | 120.0° |
| F22 | C21 | F23 | F24 | 120.1° | 120.0° |
| F22 | C21 | C18 | N17 | 71.9° | 89.7° |
| F22 | C21 | C18 | C19 | 109.5° | 90.0° |
| C9 | O10 | C11 | C16 | 157.4° | 180.0° |
| C9 | O10 | C11 | C12 | 23.0° | 0.5° |
| O10 | C9 | H10 | H11 | 119.5° | 120.1° |
| O10 | C11 | C16 | N17 | 0.3° | 0.0° |
| O10 | C11 | C16 | C12 | 179.6° | 179.5° |
| O10 | C11 | C16 | C15 | 178.6° | 180.0° |
| O10 | C11 | C12 | C13 | 179.6° | 179.7° |
| O10 | C11 | C12 | H9 | 0.4° | 0.3° |
| C11 | O10 | C9 | H10 | 88.0° | 60.0° |
| C11 | O10 | C9 | H11 | 31.7° | 60.1° |
| C18 | C21 | F23 | F24 | 119.3° | 119.9° |
| C21 | C18 | N17 | C19 | 178.6° | 179.7° |
| C21 | C18 | N17 | C16 | 179.2° | 179.9° |
| C21 | C18 | C19 | C20 | 178.2° | 180.0° |
| C21 | C18 | C19 | H3 | 1.8° | 0.1° |
| F23 | C21 | C18 | N17 | 170.1° | 30.3° |
| F23 | C21 | C18 | C19 | 8.5° | 150.0° |
| F24 | C21 | C18 | N17 | 48.7° | 150.3° |
| F24 | C21 | C18 | C19 | 129.9° | 30.1° |
| C18 | N17 | C16 | C11 | 179.2° | 180.0° |
| C18 | N17 | C16 | C15 | 2.6° | 0.1° |
| N17 | C18 | C19 | C20 | 0.3° | 0.3° |
| N17 | C18 | C19 | H3 | 179.7° | 179.7° |
| N17 | C16 | C11 | C15 | 178.3° | 179.9° |
| N17 | C16 | C11 | C12 | 179.3° | 179.5° |
| C16 | N17 | C18 | C19 | 2.2° | 0.3° |
| N17 | C16 | C15 | C14 | 179.1° | 180.0° |
| N17 | C16 | C15 | C20 | 0.7° | 0.3° |
| C16 | C11 | C12 | C13 | 0.1° | 0.8° |
| C11 | C16 | C15 | C14 | 0.8° | 0.1° |
| C11 | C16 | C15 | C20 | 179.0° | 179.7° |
| C16 | C11 | C12 | H9 | 179.9° | 179.8° |
| C12 | C11 | C16 | C15 | 1.1° | 0.5° |
| C11 | C12 | C13 | H9 | 180.0° | 179.4° |
| C11 | C12 | C13 | C14 | 1.3° | 0.6° |
| C11 | C12 | C13 | H8 | 178.7° | 179.5° |
| C18 | C19 | C20 | H3 | 180.0° | 180.0° |
| C18 | C19 | C20 | C15 | 2.0° | 0.0° |
| C18 | C19 | C20 | N25 | 176.9° | 179.9° |
| C16 | C15 | C20 | C19 | 1.5° | 0.3° |
| C16 | C15 | C14 | C13 | 0.6° | 0.2° |
| C16 | C15 | C14 | C20 | 179.7° | 179.7° |
| C16 | C15 | C20 | N25 | 176.7° | 179.8° |
| C16 | C15 | C14 | H7 | 179.4° | 179.7° |
| C12 | C13 | C14 | H8 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 1.6° | 0.1° |
| C12 | C13 | C14 | H7 | 178.4° | 180.0° |
| C27 | C26 | N25 | H4 | 180.0° | 179.9° |
| C27 | C26 | N25 | C20 | 176.9° | 180.0° |
| C26 | C27 | N28 | H5 | 180.0° | 180.0° |
| C27 | C26 | N25 | C29 | 1.4° | 0.2° |
| C26 | C27 | N28 | C29 | 0.2° | 0.2° |
| C26 | N25 | C20 | C19 | 98.3° | 49.7° |
| C26 | N25 | C20 | C15 | 76.3° | 130.3° |
| C26 | N25 | C20 | C29 | 174.8° | 179.7° |
| N25 | C26 | C27 | N28 | 0.7° | 0.0° |
| C26 | N25 | C29 | N28 | 1.6° | 0.3° |
| N25 | C26 | C27 | H5 | 179.3° | 180.0° |
| C26 | N25 | C29 | H6 | 178.4° | 179.8° |
| C19 | C20 | C15 | C14 | 178.7° | 180.0° |
| C19 | C20 | C15 | N25 | 175.1° | 180.0° |
| C19 | C20 | N25 | C29 | 76.5° | 130.0° |
| C13 | C14 | C15 | H7 | 180.0° | 179.9° |
| C13 | C14 | C15 | C20 | 179.7° | 179.9° |
| C14 | C13 | C12 | H9 | 178.7° | 180.0° |
| C14 | C15 | C20 | N25 | 3.6° | 0.1° |
| C15 | C14 | C13 | H8 | 178.4° | 180.0° |
| C15 | C20 | N25 | C29 | 108.9° | 50.0° |
| C15 | C20 | C19 | H3 | 177.9° | 180.0° |
| C20 | C15 | C14 | H7 | 0.3° | 0.0° |
| C20 | N25 | C29 | N28 | 176.7° | 179.9° |
| N25 | C20 | C19 | H3 | 3.1° | 0.0° |
| C20 | N25 | C26 | H4 | 3.1° | 0.1° |
| C20 | N25 | C29 | H6 | 3.3° | 0.0° |
| C27 | N28 | C29 | N25 | 1.0° | 0.4° |
| N28 | C27 | C26 | H4 | 179.3° | 179.9° |
| C27 | N28 | C29 | H6 | 179.0° | 179.8° |
| N25 | C29 | N28 | H6 | 180.0° | 179.9° |
| C29 | N25 | C26 | H4 | 178.6° | 179.8° |
| C29 | N28 | C27 | H5 | 179.8° | 179.7° |
| H1 | C4 | C5 | H2 | 0.3° | 0.1° |
| H4 | C26 | C27 | H5 | 0.7° | 0.1° |
| H7 | C14 | C13 | H8 | 1.6° | 0.1° |
| H8 | C13 | C12 | H9 | 1.3° | 0.0° |
| H12 | C37 | C36 | H14 | 117.3° | 37.8° |
| H12 | C37 | C36 | H15 | 3.3° | 86.0° |
| H13 | C37 | C36 | H14 | 4.2° | 160.1° |
| H13 | C37 | C36 | H15 | 124.8° | 36.3° |
| H14 | C36 | C35 | H16 | 21.5° | 35.8° |
| H14 | C36 | C35 | H17 | 100.3° | 158.9° |
| H15 | C36 | C35 | H16 | 142.0° | 88.0° |
| H15 | C36 | C35 | H17 | 20.2° | 35.1° |
| H16 | C35 | C34 | H18 | 157.2° | 21.2° |
| H17 | C35 | C34 | H18 | 35.4° | 144.4° |
| H19 | N40 | C41 | H20 | 0.0° | 120.0° |
| H19 | N40 | C41 | H21 | 120.0° | 0.0° |
| H19 | N40 | C41 | H22 | 120.0° | 120.0° |
| H20 | C41 | H21 | H22 | 120.0° | 120.1° |
