3BG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | C28 | doub | 1.39Å | 1.41Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | C29 | sing | 1.37Å | 1.40Å | Aromatic |
| CL1 | C4 | sing | 1.51Å | 1.61Å | |
| C26 | C23 | doub | 1.39Å | 1.40Å | Aromatic |
| C29 | C24 | doub | 1.40Å | 1.40Å | Aromatic |
| C37 | C36 | sing | 1.51Å | 1.51Å | |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.49Å | Aromatic |
| C34 | N33 | sing | 1.47Å | 1.46Å | |
| C34 | C35 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | sing | 1.39Å | 1.42Å | Aromatic |
| C23 | C24 | sing | 1.41Å | 1.48Å | Aromatic |
| C23 | N22 | sing | 1.38Å | 1.36Å | Aromatic |
| C24 | N25 | sing | 1.36Å | 1.35Å | Aromatic |
| C8 | O7 | sing | 1.43Å | 1.44Å | |
| C36 | N33 | sing | 1.35Å | 1.33Å | |
| C36 | O38 | doub | 1.21Å | 1.23Å | |
| N33 | C32 | sing | 1.47Å | 1.46Å | |
| C35 | N30 | sing | 1.47Å | 1.46Å | |
| N22 | C21 | sing | 1.36Å | 1.36Å | Aromatic |
| N25 | C21 | doub | 1.30Å | 1.35Å | Aromatic |
| C31 | N30 | sing | 1.47Å | 1.46Å | |
| C31 | C32 | sing | 1.54Å | 1.52Å | |
| N30 | C15 | sing | 1.38Å | 1.39Å | |
| O11 | C3 | sing | 1.36Å | 1.37Å | |
| O11 | C13 | sing | 1.36Å | 1.36Å | |
| N14 | C15 | doub | 1.32Å | 1.34Å | Aromatic |
| N14 | C13 | sing | 1.33Å | 1.35Å | Aromatic |
| C3 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | O7 | sing | 1.36Å | 1.37Å | |
| C6 | C1 | doub | 1.39Å | 1.49Å | Aromatic |
| C15 | N16 | sing | 1.32Å | 1.35Å | Aromatic |
| C13 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
| C21 | C20 | sing | 1.51Å | 1.52Å | |
| N16 | C17 | doub | 1.33Å | 1.35Å | Aromatic |
| C18 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | N19 | sing | 1.39Å | 1.35Å | |
| C2 | C1 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | O9 | sing | 1.36Å | 1.37Å | |
| N19 | C20 | sing | 1.47Å | 1.45Å | |
| O9 | C10 | sing | 1.43Å | 1.43Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C18 | H3 | sing | 1.08Å | 1.08Å | |
| C37 | H4 | sing | 1.09Å | 1.10Å | |
| C37 | H5 | sing | 1.09Å | 1.10Å | |
| C37 | H6 | sing | 1.09Å | 1.10Å | |
| C34 | H7 | sing | 1.09Å | 1.10Å | |
| C34 | H8 | sing | 1.09Å | 1.10Å | |
| C35 | H9 | sing | 1.09Å | 1.10Å | |
| C35 | H10 | sing | 1.09Å | 1.10Å | |
| C31 | H11 | sing | 1.09Å | 1.10Å | |
| C31 | H12 | sing | 1.09Å | 1.10Å | |
| C32 | H13 | sing | 1.09Å | 1.10Å | |
| C32 | H14 | sing | 1.09Å | 1.10Å | |
| N19 | H15 | sing | 0.97Å | 1.00Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| N22 | H18 | sing | 0.97Å | 1.00Å | |
| C26 | H19 | sing | 1.08Å | 1.08Å | |
| C27 | H20 | sing | 1.08Å | 1.08Å | |
| C28 | H21 | sing | 1.08Å | 1.08Å | |
| C29 | H22 | sing | 1.08Å | 1.08Å | |
| CL1 | H24 | sing | 1.09Å | 1.10Å | |
| CL1 | H25 | sing | 1.09Å | 1.10Å | |
| CL1 | H26 | sing | 1.09Å | 1.10Å | |
| C8 | H27 | sing | 1.09Å | 1.10Å | |
| C8 | H28 | sing | 1.09Å | 1.10Å | |
| C8 | H29 | sing | 1.09Å | 1.10Å | |
| C10 | H30 | sing | 1.09Å | 1.10Å | |
| C10 | H31 | sing | 1.09Å | 1.10Å | |
| C10 | H32 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | C27 | C26 | 121.5° | 120.5° |
| C27 | C28 | C29 | 120.9° | 120.7° |
| C28 | C27 | H20 | 119.3° | 119.8° |
| C27 | C28 | H21 | 119.6° | 119.7° |
| C27 | C26 | C23 | 119.1° | 119.6° |
| C27 | C26 | H19 | 120.4° | 120.2° |
| C26 | C27 | H20 | 119.2° | 119.7° |
| C28 | C29 | C24 | 119.8° | 119.9° |
| C29 | C28 | H21 | 119.5° | 119.7° |
| C28 | C29 | H22 | 120.1° | 120.0° |
| CL1 | C4 | C5 | 122.4° | 120.0° |
| CL1 | C4 | C3 | 120.1° | 119.9° |
| C4 | CL1 | H24 | 109.5° | 109.5° |
| C4 | CL1 | H25 | 109.5° | 109.5° |
| C4 | CL1 | H26 | 109.5° | 109.5° |
| C26 | C23 | C24 | 119.6° | 119.8° |
| C26 | C23 | N22 | 135.3° | 134.1° |
| C23 | C26 | H19 | 120.4° | 120.1° |
| C29 | C24 | C23 | 119.1° | 119.5° |
| C29 | C24 | N25 | 134.5° | 133.6° |
| C24 | C29 | H22 | 120.1° | 120.1° |
| C37 | C36 | N33 | 117.1° | 120.0° |
| C37 | C36 | O38 | 121.9° | 120.1° |
| C36 | C37 | H4 | 109.5° | 109.5° |
| C36 | C37 | H5 | 109.4° | 109.5° |
| C36 | C37 | H6 | 109.5° | 109.5° |
| C5 | C4 | C3 | 117.5° | 120.1° |
| C4 | C5 | C6 | 121.5° | 120.0° |
| C4 | C5 | H2 | 119.2° | 119.9° |
| C4 | C3 | O11 | 120.7° | 120.0° |
| C4 | C3 | C2 | 121.7° | 120.1° |
| N33 | C34 | C35 | 108.6° | 108.5° |
| C34 | N33 | C36 | 122.2° | 120.8° |
| C34 | N33 | C32 | 119.2° | 118.3° |
| N33 | C34 | H7 | 109.7° | 109.6° |
| N33 | C34 | H8 | 109.7° | 109.6° |
| C34 | C35 | N30 | 106.3° | 109.4° |
| C35 | C34 | H7 | 109.7° | 109.7° |
| C35 | C34 | H8 | 109.7° | 109.6° |
| C34 | C35 | H9 | 110.2° | 109.5° |
| C34 | C35 | H10 | 110.2° | 109.5° |
| C5 | C6 | O7 | 122.9° | 120.0° |
| C5 | C6 | C1 | 119.6° | 120.0° |
| C6 | C5 | H2 | 119.2° | 120.0° |
| C24 | C23 | N22 | 105.0° | 106.0° |
| C23 | C24 | N25 | 106.4° | 106.9° |
| C23 | N22 | C21 | 109.6° | 107.3° |
| C23 | N22 | H18 | 125.2° | 126.4° |
| C24 | N25 | C21 | 109.4° | 109.6° |
| C8 | O7 | C6 | 119.3° | 117.0° |
| O7 | C8 | H27 | 109.5° | 109.5° |
| O7 | C8 | H28 | 109.4° | 109.5° |
| O7 | C8 | H29 | 109.5° | 109.5° |
| N33 | C36 | O38 | 121.0° | 119.9° |
| C36 | N33 | C32 | 118.6° | 120.9° |
| N33 | C32 | C31 | 110.8° | 108.3° |
| N33 | C32 | H13 | 109.1° | 109.7° |
| N33 | C32 | H14 | 109.1° | 109.6° |
| C35 | N30 | C31 | 123.0° | 111.2° |
| C35 | N30 | C15 | 119.3° | 111.0° |
| N30 | C35 | H9 | 110.3° | 109.5° |
| N30 | C35 | H10 | 110.3° | 109.5° |
| N22 | C21 | N25 | 109.5° | 110.1° |
| N22 | C21 | C20 | 124.9° | 125.0° |
| C21 | N22 | H18 | 125.2° | 126.3° |
| N25 | C21 | C20 | 125.5° | 124.9° |
| N30 | C31 | C32 | 108.2° | 109.3° |
| C31 | N30 | C15 | 117.6° | 111.0° |
| N30 | C31 | H11 | 109.8° | 109.6° |
| N30 | C31 | H12 | 109.8° | 109.5° |
| C32 | C31 | H11 | 109.8° | 109.6° |
| C32 | C31 | H12 | 109.8° | 109.4° |
| C31 | C32 | H13 | 109.2° | 109.8° |
| C31 | C32 | H14 | 109.1° | 109.7° |
| N30 | C15 | N14 | 118.4° | 119.1° |
| N30 | C15 | N16 | 121.1° | 119.2° |
| C3 | O11 | C13 | 120.6° | 118.0° |
| O11 | C3 | C2 | 117.6° | 119.9° |
| O11 | C13 | N14 | 115.4° | 120.4° |
| O11 | C13 | C18 | 123.7° | 120.4° |
| C15 | N14 | C13 | 120.1° | 120.8° |
| N14 | C15 | N16 | 120.5° | 121.7° |
| N14 | C13 | C18 | 120.9° | 119.2° |
| C3 | C2 | C1 | 120.7° | 119.9° |
| C3 | C2 | H1 | 119.6° | 120.0° |
| O7 | C6 | C1 | 117.4° | 120.0° |
| C6 | C1 | C2 | 118.8° | 119.9° |
| C6 | C1 | O9 | 120.0° | 120.1° |
| C15 | N16 | C17 | 121.8° | 120.7° |
| C13 | C18 | C17 | 117.7° | 118.4° |
| C13 | C18 | H3 | 121.1° | 120.8° |
| C21 | C20 | N19 | 103.7° | 109.5° |
| C21 | C20 | H16 | 110.9° | 109.5° |
| C21 | C20 | H17 | 110.9° | 109.5° |
| N16 | C17 | C18 | 119.0° | 119.2° |
| N16 | C17 | N19 | 120.5° | 120.4° |
| C18 | C17 | N19 | 120.5° | 120.4° |
| C17 | C18 | H3 | 121.1° | 120.8° |
| C17 | N19 | C20 | 120.1° | 120.0° |
| C17 | N19 | H15 | 106.8° | 120.0° |
| C2 | C1 | O9 | 121.1° | 120.0° |
| C1 | C2 | H1 | 119.7° | 120.1° |
| C1 | O9 | C10 | 122.3° | 117.0° |
| C20 | N19 | H15 | 106.8° | 120.0° |
| N19 | C20 | H16 | 110.9° | 109.4° |
| N19 | C20 | H17 | 110.9° | 109.4° |
| O9 | C10 | H30 | 109.5° | 109.4° |
| O9 | C10 | H31 | 109.5° | 109.5° |
| O9 | C10 | H32 | 109.5° | 109.5° |
| H4 | C37 | H5 | 109.5° | 109.4° |
| H4 | C37 | H6 | 109.5° | 109.5° |
| H5 | C37 | H6 | 109.4° | 109.5° |
| H7 | C34 | H8 | 109.4° | 109.8° |
| H9 | C35 | H10 | 109.5° | 109.5° |
| H11 | C31 | H12 | 109.5° | 109.5° |
| H13 | C32 | H14 | 109.5° | 109.8° |
| H16 | C20 | H17 | 109.5° | 109.5° |
| H24 | CL1 | H25 | 109.5° | 109.4° |
| H24 | CL1 | H26 | 109.5° | 109.5° |
| H25 | CL1 | H26 | 109.5° | 109.5° |
| H27 | C8 | H28 | 109.5° | 109.5° |
| H27 | C8 | H29 | 109.4° | 109.4° |
| H28 | C8 | H29 | 109.5° | 109.5° |
| H30 | C10 | H31 | 109.4° | 109.5° |
| H30 | C10 | H32 | 109.4° | 109.5° |
| H31 | C10 | H32 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | C27 | C26 | H20 | 180.0° | 180.0° |
| C27 | C28 | C29 | H21 | 180.0° | 180.0° |
| C28 | C27 | C26 | C23 | 0.2° | 0.1° |
| C27 | C28 | C29 | C24 | 0.4° | 0.0° |
| C28 | C27 | C26 | H19 | 179.8° | 180.0° |
| C27 | C28 | C29 | H22 | 179.6° | 180.0° |
| C26 | C27 | C28 | C29 | 0.4° | 0.0° |
| C27 | C26 | C23 | H19 | 180.0° | 180.0° |
| C27 | C26 | C23 | C24 | 0.9° | 0.1° |
| C27 | C26 | C23 | N22 | 179.9° | 179.7° |
| C26 | C27 | C28 | H21 | 179.6° | 180.0° |
| C28 | C29 | C24 | H22 | 180.0° | 180.0° |
| C28 | C29 | C24 | C23 | 0.2° | 0.0° |
| C28 | C29 | C24 | N25 | 179.5° | 180.0° |
| C29 | C28 | C27 | H20 | 179.5° | 180.0° |
| CL1 | C4 | C5 | C3 | 177.9° | 179.7° |
| CL1 | C4 | C5 | C6 | 179.2° | 180.0° |
| CL1 | C4 | C3 | O11 | 0.1° | 0.3° |
| CL1 | C4 | C3 | C2 | 179.2° | 179.7° |
| CL1 | C4 | C5 | H2 | 0.8° | 0.2° |
| C4 | CL1 | H24 | H25 | 120.0° | 120.0° |
| C4 | CL1 | H24 | H26 | 120.0° | 120.0° |
| C4 | CL1 | H25 | H26 | 120.0° | 120.0° |
| C26 | C23 | C24 | C29 | 0.9° | 0.0° |
| C26 | C23 | C24 | N22 | 179.3° | 179.7° |
| C26 | C23 | C24 | N25 | 178.9° | 180.0° |
| C26 | C23 | N22 | C21 | 178.6° | 179.7° |
| C26 | C23 | N22 | H18 | 1.3° | 0.3° |
| C23 | C26 | C27 | H20 | 179.8° | 180.0° |
| C29 | C24 | C23 | N25 | 179.8° | 180.0° |
| C29 | C24 | C23 | N22 | 179.8° | 179.7° |
| C29 | C24 | N25 | C21 | 179.9° | 179.6° |
| C24 | C29 | C28 | H21 | 179.6° | 180.0° |
| C37 | C36 | N33 | C34 | 0.4° | 0.2° |
| C37 | C36 | N33 | O38 | 179.4° | 180.0° |
| C37 | C36 | N33 | C32 | 179.6° | 180.0° |
| C36 | C37 | H4 | H5 | 120.0° | 120.0° |
| C36 | C37 | H4 | H6 | 120.0° | 120.0° |
| C36 | C37 | H5 | H6 | 120.0° | 120.0° |
| C4 | C5 | C6 | H2 | 180.0° | 179.7° |
| C5 | C4 | C3 | O11 | 178.1° | 180.0° |
| C5 | C4 | C3 | C2 | 2.8° | 0.0° |
| C4 | C5 | C6 | O7 | 179.0° | 180.0° |
| C4 | C5 | C6 | C1 | 2.5° | 0.6° |
| C5 | C4 | CL1 | H24 | 88.9° | 90.0° |
| C5 | C4 | CL1 | H25 | 151.1° | 150.0° |
| C5 | C4 | CL1 | H26 | 31.2° | 30.0° |
| C3 | C4 | C5 | C6 | 2.9° | 0.3° |
| C4 | C3 | O11 | C2 | 179.1° | 180.0° |
| C4 | C3 | O11 | C13 | 100.3° | 173.8° |
| C4 | C3 | C2 | C1 | 2.3° | 0.0° |
| C4 | C3 | C2 | H1 | 177.6° | 180.0° |
| C3 | C4 | C5 | H2 | 177.1° | 180.0° |
| C3 | C4 | CL1 | H24 | 89.0° | 89.7° |
| C3 | C4 | CL1 | H25 | 31.0° | 30.2° |
| C3 | C4 | CL1 | H26 | 151.0° | 150.3° |
| N33 | C34 | C35 | H7 | 119.9° | 119.7° |
| N33 | C34 | C35 | H8 | 119.9° | 119.6° |
| C34 | N33 | C36 | C32 | 180.0° | 179.8° |
| C34 | N33 | C36 | O38 | 179.0° | 179.8° |
| N33 | C34 | C35 | N30 | 59.6° | 53.8° |
| C34 | N33 | C32 | C31 | 15.6° | 51.5° |
| N33 | C34 | H7 | H8 | 120.4° | 120.5° |
| N33 | C34 | C35 | H9 | 59.9° | 66.2° |
| N33 | C34 | C35 | H10 | 179.0° | 173.8° |
| C34 | N33 | C32 | H13 | 135.9° | 68.3° |
| C34 | N33 | C32 | H14 | 104.6° | 171.1° |
| C35 | C34 | N33 | C36 | 138.4° | 128.8° |
| C35 | C34 | N33 | C32 | 41.6° | 51.4° |
| C34 | C35 | N30 | H9 | 119.5° | 119.9° |
| C34 | C35 | N30 | H10 | 119.5° | 120.0° |
| C34 | C35 | N30 | C31 | 23.4° | 63.1° |
| C34 | C35 | N30 | C15 | 155.0° | 172.8° |
| C35 | C34 | H7 | H8 | 120.3° | 120.5° |
| C34 | C35 | H9 | H10 | 121.5° | 120.1° |
| C5 | C6 | O7 | C8 | 2.5° | 0.0° |
| C5 | C6 | O7 | C1 | 178.6° | 179.5° |
| C5 | C6 | C1 | C2 | 1.9° | 0.5° |
| C5 | C6 | C1 | O9 | 178.4° | 179.7° |
| C24 | C23 | N22 | C21 | 0.5° | 0.1° |
| C23 | C24 | N25 | C21 | 0.1° | 0.4° |
| C24 | C23 | N22 | H18 | 179.5° | 180.0° |
| C24 | C23 | C26 | H19 | 179.1° | 180.0° |
| C23 | C24 | C29 | H22 | 179.8° | 180.0° |
| N22 | C23 | C24 | N25 | 0.4° | 0.3° |
| C23 | N22 | C21 | H18 | 180.0° | 179.9° |
| C23 | N22 | C21 | N25 | 0.4° | 0.2° |
| C23 | N22 | C21 | C20 | 179.8° | 180.0° |
| N22 | C23 | C26 | H19 | 0.1° | 0.4° |
| C24 | N25 | C21 | N22 | 0.2° | 0.3° |
| C24 | N25 | C21 | C20 | 179.5° | 179.9° |
| N25 | C24 | C29 | H22 | 0.5° | 0.0° |
| C8 | O7 | C6 | C1 | 179.0° | 179.5° |
| O7 | C8 | H27 | H28 | 120.0° | 120.0° |
| O7 | C8 | H27 | H29 | 120.0° | 120.0° |
| O7 | C8 | H28 | H29 | 120.0° | 120.0° |
| C36 | N33 | C32 | C31 | 164.3° | 128.7° |
| N33 | C36 | C37 | H4 | 179.4° | 60.1° |
| N33 | C36 | C37 | H5 | 59.3° | 180.0° |
| N33 | C36 | C37 | H6 | 60.6° | 60.0° |
| C36 | N33 | C34 | H7 | 18.5° | 9.0° |
| C36 | N33 | C34 | H8 | 101.7° | 111.5° |
| C36 | N33 | C32 | H13 | 44.1° | 111.5° |
| C36 | N33 | C32 | H14 | 75.5° | 9.1° |
| O38 | C36 | N33 | C32 | 1.0° | 0.0° |
| O38 | C36 | C37 | H4 | 0.0° | 120.0° |
| O38 | C36 | C37 | H5 | 120.0° | 0.0° |
| O38 | C36 | C37 | H6 | 120.0° | 120.0° |
| N33 | C32 | C31 | N30 | 51.3° | 54.1° |
| N33 | C32 | C31 | H13 | 120.2° | 119.7° |
| N33 | C32 | C31 | H14 | 120.2° | 119.6° |
| C32 | N33 | C34 | H7 | 161.5° | 171.2° |
| C32 | N33 | C34 | H8 | 78.3° | 68.3° |
| N33 | C32 | C31 | H11 | 171.1° | 66.0° |
| N33 | C32 | C31 | H12 | 68.5° | 174.0° |
| N33 | C32 | H13 | H14 | 119.4° | 120.5° |
| C35 | N30 | C31 | C15 | 178.5° | 124.1° |
| C35 | N30 | C31 | C32 | 31.9° | 63.3° |
| C35 | N30 | C15 | N14 | 11.1° | 2.6° |
| C35 | N30 | C15 | N16 | 168.9° | 177.4° |
| N30 | C35 | C34 | H7 | 179.5° | 173.5° |
| N30 | C35 | C34 | H8 | 60.3° | 65.9° |
| N30 | C35 | H9 | H10 | 121.5° | 120.1° |
| C35 | N30 | C31 | H11 | 151.7° | 56.9° |
| C35 | N30 | C31 | H12 | 87.9° | 176.9° |
| N22 | C21 | N25 | C20 | 179.4° | 179.8° |
| N22 | C21 | C20 | N19 | 34.1° | 94.9° |
| N22 | C21 | C20 | H16 | 85.0° | 25.0° |
| N22 | C21 | C20 | H17 | 153.1° | 145.1° |
| N25 | C21 | C20 | N19 | 146.7° | 85.3° |
| N25 | C21 | C20 | H16 | 94.3° | 154.7° |
| N25 | C21 | C20 | H17 | 27.6° | 34.7° |
| N25 | C21 | N22 | H18 | 179.6° | 179.8° |
| N30 | C31 | C32 | H11 | 119.8° | 120.1° |
| N30 | C31 | C32 | H12 | 119.8° | 119.9° |
| C31 | N30 | C15 | N14 | 167.5° | 126.9° |
| C31 | N30 | C15 | N16 | 12.5° | 53.1° |
| C31 | N30 | C35 | H9 | 96.0° | 56.8° |
| C31 | N30 | C35 | H10 | 142.9° | 176.9° |
| N30 | C31 | H11 | H12 | 120.5° | 120.1° |
| N30 | C31 | C32 | H13 | 171.5° | 65.6° |
| N30 | C31 | C32 | H14 | 68.9° | 173.7° |
| C32 | C31 | N30 | C15 | 149.6° | 172.6° |
| C32 | C31 | H11 | H12 | 120.6° | 120.0° |
| C31 | C32 | H13 | H14 | 119.4° | 120.6° |
| N30 | C15 | N14 | N16 | 180.0° | 180.0° |
| N30 | C15 | N14 | C13 | 179.3° | 180.0° |
| N30 | C15 | N16 | C17 | 179.1° | 180.0° |
| C15 | N30 | C35 | H9 | 85.5° | 67.3° |
| C15 | N30 | C35 | H10 | 35.5° | 52.8° |
| C15 | N30 | C31 | H11 | 29.8° | 67.3° |
| C15 | N30 | C31 | H12 | 90.6° | 52.8° |
| C3 | O11 | C13 | N14 | 168.4° | 42.5° |
| C3 | O11 | C13 | C18 | 12.0° | 137.3° |
| O11 | C3 | C2 | C1 | 178.5° | 180.0° |
| O11 | C3 | C2 | H1 | 1.5° | 0.0° |
| O11 | C13 | N14 | C15 | 179.8° | 179.8° |
| O11 | C13 | N14 | C18 | 179.6° | 179.8° |
| C13 | O11 | C3 | C2 | 78.9° | 6.2° |
| O11 | C13 | C18 | C17 | 179.7° | 179.8° |
| O11 | C13 | C18 | H3 | 0.3° | 0.3° |
| C15 | N14 | C13 | C18 | 0.6° | 0.0° |
| N14 | C15 | N16 | C17 | 0.9° | 0.0° |
| C13 | N14 | C15 | N16 | 0.7° | 0.0° |
| N14 | C13 | C18 | C17 | 0.7° | 0.0° |
| N14 | C13 | C18 | H3 | 179.3° | 179.9° |
| C3 | C2 | C1 | C6 | 1.8° | 0.2° |
| C3 | C2 | C1 | H1 | 180.0° | 180.0° |
| C3 | C2 | C1 | O9 | 178.5° | 180.0° |
| O7 | C6 | C1 | C2 | 179.5° | 180.0° |
| O7 | C6 | C1 | O9 | 0.2° | 0.3° |
| O7 | C6 | C5 | H2 | 1.1° | 0.2° |
| C6 | O7 | C8 | H27 | 180.0° | 60.0° |
| C6 | O7 | C8 | H28 | 60.0° | 60.0° |
| C6 | O7 | C8 | H29 | 60.0° | 180.0° |
| C6 | C1 | C2 | O9 | 179.7° | 179.7° |
| C6 | C1 | O9 | C10 | 174.3° | 174.9° |
| C6 | C1 | C2 | H1 | 178.2° | 179.7° |
| C1 | C6 | C5 | H2 | 177.5° | 179.7° |
| C15 | N16 | C17 | C18 | 1.0° | 0.0° |
| C15 | N16 | C17 | N19 | 179.9° | 180.0° |
| C13 | C18 | C17 | N16 | 0.9° | 0.0° |
| C13 | C18 | C17 | H3 | 180.0° | 180.0° |
| C13 | C18 | C17 | N19 | 179.8° | 180.0° |
| C21 | C20 | N19 | C17 | 98.6° | 180.0° |
| C21 | C20 | N19 | H16 | 119.1° | 120.0° |
| C21 | C20 | N19 | H17 | 119.1° | 120.0° |
| C21 | C20 | N19 | H15 | 139.9° | 0.0° |
| C21 | C20 | H16 | H17 | 122.7° | 120.1° |
| C20 | C21 | N22 | H18 | 0.2° | 0.0° |
| N16 | C17 | C18 | N19 | 178.9° | 180.0° |
| N16 | C17 | N19 | C20 | 2.7° | 179.9° |
| N16 | C17 | C18 | H3 | 179.1° | 180.0° |
| N16 | C17 | N19 | H15 | 118.8° | 0.0° |
| C18 | C17 | N19 | C20 | 178.4° | 0.0° |
| C18 | C17 | N19 | H15 | 60.1° | 180.0° |
| C17 | N19 | C20 | H15 | 121.5° | 180.0° |
| N19 | C17 | C18 | H3 | 0.2° | 0.1° |
| C17 | N19 | C20 | H16 | 142.3° | 60.0° |
| C17 | N19 | C20 | H17 | 20.5° | 60.0° |
| C2 | C1 | O9 | C10 | 5.4° | 5.4° |
| O9 | C1 | C2 | H1 | 1.6° | 0.0° |
| C1 | O9 | C10 | H30 | 180.0° | 173.8° |
| C1 | O9 | C10 | H31 | 60.0° | 53.8° |
| C1 | O9 | C10 | H32 | 60.0° | 66.2° |
| N19 | C20 | H16 | H17 | 122.7° | 119.9° |
| O9 | C10 | H30 | H31 | 120.0° | 120.0° |
| O9 | C10 | H30 | H32 | 120.0° | 120.0° |
| O9 | C10 | H31 | H32 | 120.0° | 120.1° |
| H4 | C37 | H5 | H6 | 120.0° | 120.0° |
| H7 | C34 | C35 | H9 | 59.9° | 53.6° |
| H7 | C34 | C35 | H10 | 61.1° | 66.5° |
| H8 | C34 | C35 | H9 | 179.8° | 174.2° |
| H8 | C34 | C35 | H10 | 59.1° | 54.1° |
| H11 | C31 | C32 | H13 | 68.7° | 174.3° |
| H11 | C31 | C32 | H14 | 50.9° | 53.6° |
| H12 | C31 | C32 | H13 | 51.7° | 54.3° |
| H12 | C31 | C32 | H14 | 171.3° | 66.4° |
| H15 | N19 | C20 | H16 | 20.8° | 120.0° |
| H15 | N19 | C20 | H17 | 101.0° | 120.0° |
| H19 | C26 | C27 | H20 | 0.2° | 0.0° |
| H20 | C27 | C28 | H21 | 0.5° | 0.0° |
| H21 | C28 | C29 | H22 | 0.4° | 0.0° |
| H24 | CL1 | H25 | H26 | 120.0° | 120.0° |
| H27 | C8 | H28 | H29 | 120.0° | 120.0° |
| H30 | C10 | H31 | H32 | 119.9° | 120.0° |
