9WW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
| C23 | C22 | sing | 1.39Å | 1.40Å | Aromatic |
| C24 | C19 | sing | 1.39Å | 1.42Å | Aromatic |
| O18 | C17 | doub | 1.22Å | 1.18Å | |
| C22 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C17 | sing | 1.47Å | 1.53Å | |
| C19 | C20 | doub | 1.41Å | 1.38Å | Aromatic |
| C17 | N16 | sing | 1.35Å | 1.43Å | |
| C14 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.40Å | 1.42Å | Aromatic |
| C13 | C11 | sing | 1.37Å | 1.40Å | Aromatic |
| C20 | N25 | sing | 1.36Å | 1.49Å | |
| N16 | C15 | sing | 1.40Å | 1.46Å | |
| N16 | C26 | sing | 1.36Å | 1.44Å | |
| C15 | C52 | doub | 1.40Å | 1.43Å | Aromatic |
| C11 | CL12 | sing | 1.74Å | 1.79Å | |
| C11 | C10 | doub | 1.40Å | 1.41Å | Aromatic |
| C52 | C10 | sing | 1.41Å | 1.39Å | Aromatic |
| C52 | N02 | sing | 1.37Å | 1.36Å | Aromatic |
| C10 | C04 | sing | 1.46Å | 1.44Å | Aromatic |
| N25 | C26 | doub | 1.30Å | 1.46Å | |
| C07 | S06 | sing | 1.81Å | 1.82Å | |
| C26 | C27 | sing | 1.51Å | 1.52Å | |
| N02 | C01 | sing | 1.47Å | 1.45Å | |
| N02 | N03 | sing | 1.40Å | 1.34Å | Aromatic |
| C04 | N03 | doub | 1.31Å | 1.32Å | Aromatic |
| C04 | N05 | sing | 1.40Å | 1.46Å | |
| N05 | S06 | sing | 1.66Å | 1.71Å | |
| C28 | C27 | sing | 1.53Å | 1.53Å | |
| C28 | C29 | sing | 1.51Å | 1.53Å | |
| C27 | N37 | sing | 1.47Å | 1.46Å | |
| S06 | O08 | doub | 1.42Å | 1.46Å | |
| S06 | O09 | doub | 1.42Å | 1.46Å | |
| C30 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C30 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| C29 | C36 | sing | 1.38Å | 1.38Å | Aromatic |
| N37 | C38 | sing | 1.35Å | 1.46Å | |
| F32 | C31 | sing | 1.35Å | 1.37Å | |
| C31 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
| C36 | C34 | doub | 1.38Å | 1.38Å | Aromatic |
| O39 | C38 | doub | 1.21Å | 1.18Å | |
| C38 | C40 | sing | 1.51Å | 1.53Å | |
| C33 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C34 | F35 | sing | 1.35Å | 1.36Å | |
| C40 | N41 | sing | 1.47Å | 1.46Å | |
| N41 | N42 | sing | 1.40Å | 1.38Å | Aromatic |
| N41 | C48 | sing | 1.40Å | 1.33Å | Aromatic |
| N42 | C43 | sing | 1.35Å | 1.35Å | Aromatic |
| C48 | C49 | doub | 1.35Å | 1.55Å | Aromatic |
| C48 | C47 | sing | 1.47Å | 1.39Å | Aromatic |
| C43 | C47 | doub | 1.38Å | 1.41Å | Aromatic |
| C43 | C44 | sing | 1.51Å | 1.53Å | |
| C49 | C50 | sing | 1.40Å | 1.52Å | Aromatic |
| C47 | C51 | sing | 1.46Å | 1.54Å | Aromatic |
| C44 | F46 | sing | 1.40Å | 1.37Å | |
| C44 | F45 | sing | 1.40Å | 1.37Å | |
| C50 | C51 | doub | 1.36Å | 1.52Å | Aromatic |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C21 | H2 | sing | 1.08Å | 1.08Å | |
| C22 | H3 | sing | 1.08Å | 1.08Å | |
| C24 | H4 | sing | 1.08Å | 1.08Å | |
| C28 | H5 | sing | 1.09Å | 1.10Å | |
| C28 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C07 | H10 | sing | 1.09Å | 1.10Å | |
| C07 | H11 | sing | 1.09Å | 1.10Å | |
| C07 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.08Å | 1.08Å | |
| C23 | H14 | sing | 1.08Å | 1.08Å | |
| C27 | H15 | sing | 1.09Å | 1.10Å | |
| C30 | H16 | sing | 1.08Å | 1.08Å | |
| C33 | H17 | sing | 1.08Å | 1.08Å | |
| C36 | H18 | sing | 1.08Å | 1.08Å | |
| C40 | H19 | sing | 1.09Å | 1.10Å | |
| C40 | H20 | sing | 1.09Å | 1.10Å | |
| C44 | H21 | sing | 1.09Å | 1.10Å | |
| C49 | H22 | sing | 1.08Å | 1.08Å | |
| C50 | H23 | sing | 1.08Å | 1.08Å | |
| C51 | H24 | sing | 1.08Å | 1.08Å | |
| N05 | H25 | sing | 0.97Å | 1.00Å | |
| N37 | H26 | sing | 0.97Å | 1.00Å | |
| N42 | H27 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | C23 | C22 | 120.0° | 120.6° |
| C23 | C24 | C19 | 119.9° | 119.5° |
| C23 | C24 | H4 | 120.0° | 120.3° |
| C24 | C23 | H14 | 119.9° | 119.7° |
| C23 | C22 | C21 | 120.1° | 120.8° |
| C23 | C22 | H3 | 120.0° | 119.6° |
| C22 | C23 | H14 | 120.0° | 119.8° |
| C24 | C19 | C17 | 120.1° | 121.9° |
| C24 | C19 | C20 | 119.9° | 120.1° |
| C19 | C24 | H4 | 120.1° | 120.2° |
| O18 | C17 | C19 | 120.2° | 121.3° |
| O18 | C17 | N16 | 119.7° | 121.3° |
| C22 | C21 | C20 | 119.9° | 119.7° |
| C22 | C21 | H2 | 120.1° | 120.1° |
| C21 | C22 | H3 | 119.9° | 119.6° |
| C17 | C19 | C20 | 120.0° | 118.0° |
| C19 | C17 | N16 | 120.2° | 117.4° |
| C19 | C20 | C21 | 120.1° | 119.3° |
| C19 | C20 | N25 | 119.8° | 119.0° |
| C17 | N16 | C15 | 121.3° | 119.7° |
| C17 | N16 | C26 | 119.6° | 120.6° |
| C13 | C14 | C15 | 120.5° | 120.6° |
| C14 | C13 | C11 | 119.7° | 120.7° |
| C14 | C13 | H1 | 120.2° | 119.7° |
| C13 | C14 | H13 | 119.8° | 119.7° |
| C14 | C15 | N16 | 118.4° | 120.2° |
| C14 | C15 | C52 | 120.0° | 119.6° |
| C15 | C14 | H13 | 119.8° | 119.7° |
| C21 | C20 | N25 | 120.1° | 121.6° |
| C20 | C21 | H2 | 120.0° | 120.2° |
| C13 | C11 | CL12 | 119.8° | 120.0° |
| C13 | C11 | C10 | 120.2° | 119.9° |
| C11 | C13 | H1 | 120.2° | 119.7° |
| C20 | N25 | C26 | 120.2° | 121.6° |
| C15 | N16 | C26 | 119.0° | 119.7° |
| N16 | C15 | C52 | 121.6° | 120.2° |
| N16 | C26 | N25 | 120.3° | 123.3° |
| N16 | C26 | C27 | 119.1° | 118.4° |
| C15 | C52 | C10 | 119.1° | 119.4° |
| C15 | C52 | N02 | 134.3° | 133.7° |
| CL12 | C11 | C10 | 120.0° | 120.1° |
| C11 | C10 | C52 | 120.5° | 119.8° |
| C11 | C10 | C04 | 134.0° | 133.9° |
| C10 | C52 | N02 | 106.6° | 106.9° |
| C52 | C10 | C04 | 105.5° | 106.3° |
| C52 | N02 | C01 | 126.2° | 125.4° |
| C52 | N02 | N03 | 111.1° | 109.2° |
| C10 | C04 | N03 | 108.3° | 107.7° |
| C10 | C04 | N05 | 126.1° | 126.2° |
| N25 | C26 | C27 | 120.7° | 118.4° |
| C07 | S06 | N05 | 110.1° | 104.4° |
| C07 | S06 | O08 | 111.4° | 110.5° |
| C07 | S06 | O09 | 111.3° | 110.5° |
| S06 | C07 | H10 | 109.5° | 109.5° |
| S06 | C07 | H11 | 109.5° | 109.4° |
| S06 | C07 | H12 | 109.5° | 109.4° |
| C26 | C27 | C28 | 110.1° | 109.5° |
| C26 | C27 | N37 | 109.0° | 109.5° |
| C26 | C27 | H15 | 108.7° | 109.4° |
| C01 | N02 | N03 | 122.7° | 125.4° |
| N02 | C01 | H7 | 109.5° | 109.4° |
| N02 | C01 | H8 | 109.5° | 109.5° |
| N02 | C01 | H9 | 109.5° | 109.5° |
| N02 | N03 | C04 | 108.6° | 110.0° |
| N03 | C04 | N05 | 125.6° | 126.2° |
| C04 | N05 | S06 | 119.7° | 120.0° |
| C04 | N05 | H25 | 106.8° | 120.0° |
| N05 | S06 | O08 | 111.3° | 104.3° |
| N05 | S06 | O09 | 111.3° | 104.3° |
| S06 | N05 | H25 | 106.9° | 120.0° |
| C27 | C28 | C29 | 111.8° | 109.5° |
| C28 | C27 | N37 | 110.7° | 109.4° |
| C27 | C28 | H5 | 108.9° | 109.5° |
| C27 | C28 | H6 | 108.9° | 109.4° |
| C28 | C27 | H15 | 108.7° | 109.5° |
| C28 | C29 | C30 | 120.8° | 120.0° |
| C28 | C29 | C36 | 119.3° | 120.0° |
| C29 | C28 | H5 | 108.9° | 109.5° |
| C29 | C28 | H6 | 108.9° | 109.5° |
| C27 | N37 | C38 | 119.4° | 120.0° |
| N37 | C27 | H15 | 109.6° | 109.5° |
| C27 | N37 | H26 | 120.3° | 120.0° |
| O08 | S06 | O09 | 101.2° | 121.1° |
| C29 | C30 | C31 | 119.7° | 120.0° |
| C30 | C29 | C36 | 119.9° | 120.0° |
| C29 | C30 | H16 | 120.1° | 119.9° |
| C30 | C31 | F32 | 120.0° | 120.0° |
| C30 | C31 | C33 | 120.2° | 120.0° |
| C31 | C30 | H16 | 120.1° | 120.1° |
| C29 | C36 | C34 | 120.4° | 120.0° |
| C29 | C36 | H18 | 119.8° | 120.0° |
| N37 | C38 | O39 | 119.9° | 120.0° |
| N37 | C38 | C40 | 119.9° | 120.0° |
| C38 | N37 | H26 | 120.3° | 120.0° |
| F32 | C31 | C33 | 119.8° | 120.0° |
| C31 | C33 | C34 | 119.8° | 119.9° |
| C31 | C33 | H17 | 120.1° | 120.1° |
| C36 | C34 | C33 | 119.9° | 120.0° |
| C36 | C34 | F35 | 119.2° | 120.0° |
| C34 | C36 | H18 | 119.8° | 120.0° |
| O39 | C38 | C40 | 120.2° | 120.0° |
| C38 | C40 | N41 | 110.6° | 109.5° |
| C38 | C40 | H19 | 109.2° | 109.4° |
| C38 | C40 | H20 | 109.2° | 109.5° |
| C33 | C34 | F35 | 120.8° | 120.0° |
| C34 | C33 | H17 | 120.1° | 120.0° |
| C40 | N41 | N42 | 124.9° | 126.2° |
| C40 | N41 | C48 | 124.0° | 126.2° |
| N41 | C40 | H19 | 109.2° | 109.5° |
| N41 | C40 | H20 | 109.2° | 109.5° |
| N42 | N41 | C48 | 111.1° | 107.7° |
| N41 | N42 | C43 | 107.2° | 110.2° |
| N41 | N42 | H27 | 126.4° | 124.9° |
| N41 | C48 | C49 | 143.4° | 147.4° |
| N41 | C48 | C47 | 107.0° | 105.7° |
| N42 | C43 | C47 | 107.3° | 109.6° |
| N42 | C43 | C44 | 126.1° | 125.2° |
| C43 | N42 | H27 | 126.4° | 124.9° |
| C49 | C48 | C47 | 109.6° | 107.0° |
| C48 | C49 | C50 | 106.9° | 110.1° |
| C48 | C49 | H22 | 126.5° | 125.0° |
| C48 | C47 | C43 | 107.3° | 106.9° |
| C48 | C47 | C51 | 109.9° | 105.6° |
| C47 | C43 | C44 | 126.6° | 125.2° |
| C43 | C47 | C51 | 142.8° | 147.5° |
| C43 | C44 | F46 | 109.5° | 109.4° |
| C43 | C44 | F45 | 110.1° | 109.4° |
| C43 | C44 | H21 | 108.1° | 109.5° |
| C49 | C50 | C51 | 106.3° | 110.2° |
| C50 | C49 | H22 | 126.5° | 124.9° |
| C49 | C50 | H23 | 126.8° | 125.0° |
| C47 | C51 | C50 | 106.9° | 107.1° |
| C47 | C51 | H24 | 126.6° | 126.4° |
| F46 | C44 | F45 | 108.4° | 109.5° |
| F46 | C44 | H21 | 110.3° | 109.5° |
| F45 | C44 | H21 | 110.4° | 109.5° |
| C51 | C50 | H23 | 126.9° | 124.9° |
| C50 | C51 | H24 | 126.5° | 126.5° |
| H5 | C28 | H6 | 109.5° | 109.5° |
| H7 | C01 | H8 | 109.5° | 109.5° |
| H7 | C01 | H9 | 109.4° | 109.4° |
| H8 | C01 | H9 | 109.5° | 109.5° |
| H10 | C07 | H11 | 109.4° | 109.6° |
| H10 | C07 | H12 | 109.5° | 109.5° |
| H11 | C07 | H12 | 109.5° | 109.4° |
| H19 | C40 | H20 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | C23 | C22 | H14 | 180.0° | 179.8° |
| C23 | C24 | C19 | H4 | 180.0° | 179.8° |
| C24 | C23 | C22 | C21 | 0.0° | 0.1° |
| C23 | C24 | C19 | C17 | 180.0° | 179.9° |
| C23 | C24 | C19 | C20 | 0.0° | 0.2° |
| C24 | C23 | C22 | H3 | 180.0° | 179.8° |
| C22 | C23 | C24 | C19 | 0.0° | 0.2° |
| C23 | C22 | C21 | H3 | 180.0° | 179.9° |
| C23 | C22 | C21 | C20 | 0.0° | 0.0° |
| C23 | C22 | C21 | H2 | 180.0° | 180.0° |
| C22 | C23 | C24 | H4 | 180.0° | 180.0° |
| C24 | C19 | C17 | O18 | 0.1° | 0.3° |
| C24 | C19 | C17 | C20 | 180.0° | 179.9° |
| C24 | C19 | C17 | N16 | 179.9° | 179.9° |
| C24 | C19 | C20 | C21 | 0.0° | 0.0° |
| C24 | C19 | C20 | N25 | 179.9° | 179.9° |
| C19 | C24 | C23 | H14 | 180.0° | 180.0° |
| O18 | C17 | C19 | N16 | 179.8° | 179.7° |
| O18 | C17 | C19 | C20 | 179.9° | 179.7° |
| O18 | C17 | N16 | C15 | 0.2° | 0.2° |
| O18 | C17 | N16 | C26 | 179.9° | 179.7° |
| C22 | C21 | C20 | C19 | 0.1° | 0.1° |
| C22 | C21 | C20 | H2 | 180.0° | 180.0° |
| C22 | C21 | C20 | N25 | 179.9° | 180.0° |
| C21 | C22 | C23 | H14 | 180.0° | 179.9° |
| C17 | C19 | C20 | C21 | 180.0° | 180.0° |
| C17 | C19 | C20 | N25 | 0.1° | 0.0° |
| C19 | C17 | N16 | C15 | 179.9° | 179.9° |
| C19 | C17 | N16 | C26 | 0.2° | 0.0° |
| C17 | C19 | C24 | H4 | 0.0° | 0.1° |
| C20 | C19 | C17 | N16 | 0.1° | 0.0° |
| C19 | C20 | C21 | N25 | 180.0° | 180.0° |
| C19 | C20 | N25 | C26 | 0.2° | 0.0° |
| C19 | C20 | C21 | H2 | 180.0° | 180.0° |
| C20 | C19 | C24 | H4 | 180.0° | 180.0° |
| C17 | N16 | C15 | C14 | 85.4° | 89.9° |
| C17 | N16 | C15 | C26 | 179.7° | 180.0° |
| C17 | N16 | C15 | C52 | 95.0° | 90.0° |
| C17 | N16 | C26 | N25 | 0.4° | 0.0° |
| C17 | N16 | C26 | C27 | 179.9° | 180.0° |
| C13 | C14 | C15 | H13 | 180.0° | 179.6° |
| C14 | C13 | C11 | H1 | 180.0° | 180.0° |
| C13 | C14 | C15 | N16 | 179.6° | 179.7° |
| C13 | C14 | C15 | C52 | 0.1° | 0.4° |
| C14 | C13 | C11 | CL12 | 179.9° | 180.0° |
| C14 | C13 | C11 | C10 | 0.1° | 0.0° |
| C15 | C14 | C13 | C11 | 0.0° | 0.4° |
| C14 | C15 | N16 | C52 | 179.5° | 179.9° |
| C14 | C15 | N16 | C26 | 94.3° | 90.1° |
| C14 | C15 | C52 | C10 | 0.1° | 0.1° |
| C14 | C15 | C52 | N02 | 179.9° | 179.9° |
| C15 | C14 | C13 | H1 | 180.0° | 179.6° |
| C21 | C20 | N25 | C26 | 179.8° | 180.0° |
| C20 | C21 | C22 | H3 | 180.0° | 180.0° |
| C13 | C11 | CL12 | C10 | 180.0° | 179.9° |
| C13 | C11 | C10 | C52 | 0.0° | 0.3° |
| C13 | C11 | C10 | C04 | 180.0° | 179.9° |
| C11 | C13 | C14 | H13 | 180.0° | 180.0° |
| C20 | N25 | C26 | N16 | 0.4° | 0.0° |
| C20 | N25 | C26 | C27 | 179.8° | 180.0° |
| N25 | C20 | C21 | H2 | 0.1° | 0.0° |
| N16 | C15 | C52 | C10 | 179.6° | 180.0° |
| N16 | C15 | C52 | N02 | 0.4° | 0.0° |
| C15 | N16 | C26 | N25 | 179.9° | 179.9° |
| C15 | N16 | C26 | C27 | 0.5° | 0.0° |
| N16 | C15 | C14 | H13 | 0.4° | 0.1° |
| C26 | N16 | C15 | C52 | 85.3° | 90.0° |
| N16 | C26 | N25 | C27 | 179.4° | 180.0° |
| N16 | C26 | C27 | C28 | 91.1° | 95.0° |
| N16 | C26 | C27 | N37 | 147.3° | 145.0° |
| N16 | C26 | C27 | H15 | 27.9° | 25.0° |
| C15 | C52 | C10 | C11 | 0.0° | 0.3° |
| C15 | C52 | C10 | N02 | 180.0° | 180.0° |
| C15 | C52 | C10 | C04 | 179.9° | 180.0° |
| C15 | C52 | N02 | C01 | 0.0° | 0.1° |
| C15 | C52 | N02 | N03 | 179.9° | 179.7° |
| C52 | C15 | C14 | H13 | 179.9° | 180.0° |
| CL12 | C11 | C10 | C52 | 180.0° | 179.6° |
| CL12 | C11 | C10 | C04 | 0.0° | 0.0° |
| CL12 | C11 | C13 | H1 | 0.0° | 0.1° |
| C11 | C10 | C52 | C04 | 180.0° | 179.7° |
| C11 | C10 | C52 | N02 | 180.0° | 179.8° |
| C11 | C10 | C04 | N03 | 180.0° | 180.0° |
| C11 | C10 | C04 | N05 | 0.0° | 0.1° |
| C10 | C11 | C13 | H1 | 179.9° | 180.0° |
| C10 | C52 | N02 | C01 | 180.0° | 180.0° |
| C10 | C52 | N02 | N03 | 0.1° | 0.2° |
| C52 | C10 | C04 | N03 | 0.1° | 0.3° |
| C52 | C10 | C04 | N05 | 180.0° | 179.7° |
| N02 | C52 | C10 | C04 | 0.1° | 0.0° |
| C52 | N02 | C01 | N03 | 179.9° | 179.7° |
| C52 | N02 | N03 | C04 | 0.0° | 0.5° |
| C52 | N02 | C01 | H7 | 180.0° | 90.0° |
| C52 | N02 | C01 | H8 | 59.9° | 150.0° |
| C52 | N02 | C01 | H9 | 60.1° | 29.9° |
| C10 | C04 | N03 | N02 | 0.0° | 0.5° |
| C10 | C04 | N03 | N05 | 180.0° | 179.9° |
| C10 | C04 | N05 | S06 | 168.5° | 180.0° |
| C10 | C04 | N05 | H25 | 70.1° | 0.0° |
| N25 | C26 | C27 | C28 | 89.4° | 85.0° |
| N25 | C26 | C27 | N37 | 32.1° | 35.0° |
| N25 | C26 | C27 | H15 | 151.5° | 155.0° |
| C07 | S06 | N05 | C04 | 71.8° | 65.0° |
| C07 | S06 | N05 | O08 | 124.0° | 116.1° |
| C07 | S06 | N05 | O09 | 123.9° | 116.1° |
| C07 | S06 | O08 | O09 | 118.4° | 131.5° |
| S06 | C07 | H10 | H11 | 120.0° | 120.0° |
| S06 | C07 | H10 | H12 | 120.0° | 120.0° |
| S06 | C07 | H11 | H12 | 120.0° | 119.9° |
| C07 | S06 | N05 | H25 | 166.8° | 115.0° |
| C26 | C27 | C28 | N37 | 120.5° | 120.0° |
| C26 | C27 | C28 | H15 | 119.0° | 120.0° |
| C26 | C27 | C28 | C29 | 171.4° | 175.0° |
| C26 | C27 | N37 | H15 | 118.9° | 120.0° |
| C26 | C27 | N37 | C38 | 125.3° | 155.0° |
| C26 | C27 | C28 | H5 | 68.3° | 65.0° |
| C26 | C27 | C28 | H6 | 51.0° | 55.0° |
| C26 | C27 | N37 | H26 | 54.6° | 24.9° |
| C01 | N02 | N03 | C04 | 180.0° | 179.7° |
| N02 | C01 | H7 | H8 | 120.0° | 120.0° |
| N02 | C01 | H7 | H9 | 120.0° | 120.0° |
| N02 | C01 | H8 | H9 | 120.0° | 120.1° |
| N02 | N03 | C04 | N05 | 180.0° | 179.6° |
| N03 | N02 | C01 | H7 | 0.0° | 89.7° |
| N03 | N02 | C01 | H8 | 120.0° | 30.2° |
| N03 | N02 | C01 | H9 | 120.0° | 150.3° |
| N03 | C04 | N05 | S06 | 11.6° | 0.0° |
| N03 | C04 | N05 | H25 | 109.9° | 179.9° |
| C04 | N05 | S06 | H25 | 121.4° | 180.0° |
| C04 | N05 | S06 | O08 | 164.3° | 51.1° |
| C04 | N05 | S06 | O09 | 52.1° | 178.9° |
| N05 | S06 | O08 | O09 | 118.4° | 116.7° |
| N05 | S06 | C07 | H10 | 180.0° | 60.0° |
| N05 | S06 | C07 | H11 | 60.0° | 179.9° |
| N05 | S06 | C07 | H12 | 60.0° | 60.0° |
| C27 | C28 | C29 | H5 | 120.3° | 120.0° |
| C27 | C28 | C29 | H6 | 120.3° | 119.9° |
| C28 | C27 | N37 | H15 | 119.9° | 120.0° |
| C27 | C28 | C29 | C30 | 101.6° | 89.7° |
| C27 | C28 | C29 | C36 | 78.1° | 90.0° |
| C28 | C27 | N37 | C38 | 113.5° | 85.1° |
| C27 | C28 | H5 | H6 | 118.9° | 120.0° |
| C28 | C27 | N37 | H26 | 66.5° | 95.1° |
| C29 | C28 | C27 | N37 | 68.1° | 65.0° |
| C28 | C29 | C30 | C36 | 179.8° | 179.7° |
| C28 | C29 | C30 | C31 | 180.0° | 180.0° |
| C28 | C29 | C36 | C34 | 179.8° | 179.7° |
| C29 | C28 | H5 | H6 | 119.0° | 120.0° |
| C29 | C28 | C27 | H15 | 52.3° | 55.0° |
| C28 | C29 | C30 | H16 | 0.0° | 0.0° |
| C28 | C29 | C36 | H18 | 0.2° | 0.0° |
| C27 | N37 | C38 | H26 | 180.0° | 179.9° |
| C27 | N37 | C38 | O39 | 0.2° | 0.1° |
| C27 | N37 | C38 | C40 | 179.9° | 180.0° |
| N37 | C27 | C28 | H5 | 52.3° | 55.0° |
| N37 | C27 | C28 | H6 | 171.6° | 175.0° |
| O08 | S06 | C07 | H10 | 56.1° | 171.6° |
| O08 | S06 | C07 | H11 | 63.9° | 68.3° |
| O08 | S06 | C07 | H12 | 176.1° | 51.6° |
| O08 | S06 | N05 | H25 | 42.8° | 129.0° |
| O09 | S06 | C07 | H10 | 56.1° | 51.6° |
| O09 | S06 | C07 | H11 | 176.1° | 68.5° |
| O09 | S06 | C07 | H12 | 63.9° | 171.6° |
| O09 | S06 | N05 | H25 | 69.3° | 1.1° |
| C29 | C30 | C31 | H16 | 180.0° | 180.0° |
| C29 | C30 | C31 | F32 | 180.0° | 180.0° |
| C29 | C30 | C31 | C33 | 0.3° | 0.0° |
| C30 | C29 | C36 | C34 | 0.0° | 0.6° |
| C30 | C29 | C28 | H5 | 138.0° | 150.3° |
| C30 | C29 | C28 | H6 | 18.7° | 30.2° |
| C30 | C29 | C36 | H18 | 180.0° | 179.7° |
| C31 | C30 | C29 | C36 | 0.2° | 0.3° |
| C30 | C31 | F32 | C33 | 179.8° | 179.9° |
| C30 | C31 | C33 | C34 | 0.2° | 0.0° |
| C30 | C31 | C33 | H17 | 179.8° | 180.0° |
| C29 | C36 | C34 | H18 | 180.0° | 179.7° |
| C29 | C36 | C34 | C33 | 0.1° | 0.6° |
| C29 | C36 | C34 | F35 | 179.9° | 179.7° |
| C36 | C29 | C28 | H5 | 42.2° | 30.0° |
| C36 | C29 | C28 | H6 | 161.5° | 150.0° |
| C36 | C29 | C30 | H16 | 179.8° | 179.7° |
| N37 | C38 | O39 | C40 | 179.9° | 179.9° |
| N37 | C38 | C40 | N41 | 177.0° | 180.0° |
| C38 | N37 | C27 | H15 | 6.5° | 35.0° |
| N37 | C38 | C40 | H19 | 56.8° | 60.0° |
| N37 | C38 | C40 | H20 | 62.8° | 59.9° |
| F32 | C31 | C33 | C34 | 179.9° | 179.9° |
| F32 | C31 | C30 | H16 | 0.0° | 0.0° |
| F32 | C31 | C33 | H17 | 0.1° | 0.0° |
| C31 | C33 | C34 | C36 | 0.0° | 0.3° |
| C31 | C33 | C34 | H17 | 180.0° | 180.0° |
| C31 | C33 | C34 | F35 | 180.0° | 180.0° |
| C33 | C31 | C30 | H16 | 179.7° | 180.0° |
| C36 | C34 | C33 | F35 | 180.0° | 179.7° |
| C36 | C34 | C33 | H17 | 180.0° | 179.7° |
| O39 | C38 | C40 | N41 | 2.9° | 0.1° |
| O39 | C38 | C40 | H19 | 123.1° | 120.0° |
| O39 | C38 | C40 | H20 | 117.3° | 120.0° |
| O39 | C38 | N37 | H26 | 179.8° | 180.0° |
| C38 | C40 | N41 | H19 | 120.2° | 120.0° |
| C38 | C40 | N41 | H20 | 120.2° | 120.1° |
| C38 | C40 | N41 | N42 | 100.4° | 90.1° |
| C38 | C40 | N41 | C48 | 79.3° | 89.5° |
| C38 | C40 | H19 | H20 | 119.5° | 120.0° |
| C40 | C38 | N37 | H26 | 0.1° | 0.1° |
| C33 | C34 | C36 | H18 | 179.9° | 179.7° |
| F35 | C34 | C33 | H17 | 0.0° | 0.0° |
| F35 | C34 | C36 | H18 | 0.1° | 0.1° |
| C40 | N41 | N42 | C48 | 179.7° | 179.6° |
| C40 | N41 | N42 | C43 | 180.0° | 180.0° |
| C40 | N41 | C48 | C49 | 0.1° | 0.1° |
| C40 | N41 | C48 | C47 | 179.9° | 179.8° |
| N41 | C40 | H19 | H20 | 119.5° | 120.0° |
| C40 | N41 | N42 | H27 | 0.0° | 0.1° |
| N41 | N42 | C43 | H27 | 180.0° | 179.9° |
| N42 | N41 | C48 | C49 | 179.9° | 179.7° |
| N42 | N41 | C48 | C47 | 0.1° | 0.2° |
| N41 | N42 | C43 | C47 | 0.2° | 0.4° |
| N41 | N42 | C43 | C44 | 179.9° | 179.8° |
| N42 | N41 | C40 | H19 | 19.8° | 150.0° |
| N42 | N41 | C40 | H20 | 139.5° | 30.0° |
| C48 | N41 | N42 | C43 | 0.2° | 0.4° |
| N41 | C48 | C49 | C47 | 180.0° | 179.9° |
| N41 | C48 | C47 | C43 | 0.0° | 0.0° |
| N41 | C48 | C49 | C50 | 176.4° | 180.0° |
| N41 | C48 | C47 | C51 | 179.9° | 180.0° |
| C48 | N41 | C40 | H19 | 160.5° | 30.5° |
| C48 | N41 | C40 | H20 | 40.9° | 150.5° |
| N41 | C48 | C49 | H22 | 3.6° | 0.1° |
| C48 | N41 | N42 | H27 | 179.7° | 179.5° |
| N42 | C43 | C47 | C48 | 0.1° | 0.3° |
| N42 | C43 | C47 | C44 | 179.9° | 179.7° |
| N42 | C43 | C47 | C51 | 180.0° | 179.7° |
| N42 | C43 | C44 | F46 | 52.2° | 59.7° |
| N42 | C43 | C44 | F45 | 171.2° | 60.3° |
| N42 | C43 | C44 | H21 | 68.1° | 179.7° |
| C49 | C48 | C47 | C43 | 180.0° | 180.0° |
| C48 | C49 | C50 | H22 | 180.0° | 180.0° |
| C49 | C48 | C47 | C51 | 0.1° | 0.0° |
| C48 | C49 | C50 | C51 | 5.8° | 0.0° |
| C48 | C49 | C50 | H23 | 174.2° | 180.0° |
| C48 | C47 | C43 | C51 | 179.9° | 180.0° |
| C48 | C47 | C43 | C44 | 180.0° | 180.0° |
| C47 | C48 | C49 | C50 | 3.6° | 0.0° |
| C48 | C47 | C51 | C50 | 3.8° | 0.0° |
| C47 | C48 | C49 | H22 | 176.4° | 180.0° |
| C48 | C47 | C51 | H24 | 176.2° | 180.0° |
| C47 | C43 | C44 | F46 | 128.0° | 120.0° |
| C47 | C43 | C44 | F45 | 8.9° | 120.0° |
| C43 | C47 | C51 | C50 | 176.4° | 180.0° |
| C47 | C43 | C44 | H21 | 111.7° | 0.0° |
| C43 | C47 | C51 | H24 | 3.6° | 0.0° |
| C47 | C43 | N42 | H27 | 179.8° | 179.5° |
| C44 | C43 | C47 | C51 | 0.1° | 0.0° |
| C43 | C44 | F46 | F45 | 120.1° | 119.9° |
| C43 | C44 | F46 | H21 | 118.9° | 120.0° |
| C43 | C44 | F45 | H21 | 119.3° | 120.0° |
| C44 | C43 | N42 | H27 | 0.1° | 0.2° |
| C49 | C50 | C51 | C47 | 5.8° | 0.0° |
| C49 | C50 | C51 | H23 | 180.0° | 180.0° |
| C49 | C50 | C51 | H24 | 174.2° | 180.0° |
| C47 | C51 | C50 | H24 | 180.0° | 180.0° |
| C47 | C51 | C50 | H23 | 174.2° | 180.0° |
| F46 | C44 | F45 | H21 | 120.9° | 120.1° |
| C51 | C50 | C49 | H22 | 174.3° | 180.0° |
| H1 | C13 | C14 | H13 | 0.0° | 0.0° |
| H2 | C21 | C22 | H3 | 0.0° | 0.1° |
| H3 | C22 | C23 | H14 | 0.0° | 0.0° |
| H4 | C24 | C23 | H14 | 0.0° | 0.2° |
| H5 | C28 | C27 | H15 | 172.7° | 175.0° |
| H6 | C28 | C27 | H15 | 68.0° | 64.9° |
| H7 | C01 | H8 | H9 | 120.0° | 120.0° |
| H10 | C07 | H11 | H12 | 120.0° | 120.0° |
| H15 | C27 | N37 | H26 | 173.5° | 144.9° |
| H22 | C49 | C50 | H23 | 5.8° | 0.0° |
| H23 | C50 | C51 | H24 | 5.8° | 0.0° |
