Q0L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C08 | sing | 1.55Å | 1.32Å | |
| C10 | N11 | sing | 1.47Å | 1.41Å | |
| C12 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | N11 | sing | 1.32Å | 1.34Å | Aromatic |
| C13 | C14 | sing | 1.40Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.40Å | 1.39Å | Aromatic |
| C14 | C17 | sing | 1.48Å | 1.57Å | |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | N11 | doub | 1.32Å | 1.30Å | Aromatic |
| C17 | C33 | doub | 1.37Å | 1.41Å | Aromatic |
| C17 | N18 | sing | 1.36Å | 1.38Å | Aromatic |
| C20 | C33 | sing | 1.40Å | 1.41Å | Aromatic |
| C20 | N19 | doub | 1.31Å | 1.32Å | Aromatic |
| C20 | N21 | sing | 1.40Å | 1.44Å | |
| C22 | C23 | sing | 1.51Å | 1.57Å | |
| C22 | N21 | sing | 1.35Å | 1.44Å | |
| C22 | O32 | doub | 1.21Å | 1.19Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C24 | C25 | sing | 1.51Å | 1.53Å | |
| C04 | C05 | sing | 1.53Å | 1.55Å | |
| C04 | O03 | sing | 1.43Å | 1.41Å | |
| C05 | C06 | sing | 1.54Å | 1.59Å | |
| C05 | O35 | sing | 1.44Å | 1.31Å | |
| C06 | C08 | sing | 1.55Å | 1.57Å | |
| C06 | O07 | sing | 1.43Å | 1.32Å | |
| C08 | O09 | sing | 1.43Å | 1.48Å | |
| C25 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C25 | C31 | sing | 1.38Å | 1.42Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.41Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.41Å | Aromatic |
| C28 | C30 | sing | 1.38Å | 1.41Å | Aromatic |
| C28 | CL29 | sing | 1.74Å | 1.79Å | |
| C30 | C31 | doub | 1.38Å | 1.41Å | Aromatic |
| C33 | C34 | sing | 1.51Å | 1.57Å | |
| C39 | C40 | sing | 1.53Å | 1.41Å | |
| C39 | O38 | sing | 1.43Å | 1.44Å | |
| C40 | C41 | sing | 1.54Å | 1.59Å | |
| C40 | O56 | sing | 1.44Å | 1.50Å | |
| C41 | C43 | sing | 1.54Å | 1.23Å | |
| C41 | O42 | sing | 1.43Å | 1.53Å | |
| C43 | C45 | sing | 1.54Å | 1.65Å | |
| C43 | O44 | sing | 1.43Å | 1.46Å | |
| C45 | N46 | sing | 1.46Å | 1.46Å | |
| C45 | O56 | sing | 1.44Å | 1.28Å | |
| C47 | C48 | doub | 1.40Å | 1.38Å | Aromatic |
| C47 | N46 | sing | 1.37Å | 1.39Å | Aromatic |
| C47 | N53 | sing | 1.33Å | 1.36Å | Aromatic |
| C48 | C49 | sing | 1.41Å | 1.45Å | Aromatic |
| C48 | N54 | sing | 1.36Å | 1.38Å | Aromatic |
| C49 | N50 | sing | 1.38Å | 1.48Å | |
| C49 | N51 | doub | 1.33Å | 1.32Å | Aromatic |
| C52 | N51 | sing | 1.32Å | 1.35Å | Aromatic |
| C52 | N53 | doub | 1.32Å | 1.36Å | Aromatic |
| C55 | N46 | sing | 1.36Å | 1.35Å | Aromatic |
| C55 | N54 | doub | 1.30Å | 1.38Å | Aromatic |
| N18 | N19 | sing | 1.40Å | 1.39Å | Aromatic |
| O01 | P02 | doub | 1.48Å | 1.48Å | |
| O03 | P02 | sing | 1.61Å | 1.63Å | |
| O36 | P02 | sing | 1.61Å | 1.62Å | |
| O36 | P37 | sing | 1.61Å | 1.62Å | |
| O38 | P37 | sing | 1.61Å | 1.68Å | |
| O57 | P37 | doub | 1.48Å | 1.49Å | |
| O58 | P37 | sing | 1.61Å | 1.49Å | |
| O59 | P02 | sing | 1.61Å | 1.48Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.08Å | 1.08Å | |
| C13 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C16 | H6 | sing | 1.08Å | 1.08Å | |
| C23 | H7 | sing | 1.09Å | 1.10Å | |
| C23 | H8 | sing | 1.09Å | 1.10Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C04 | H11 | sing | 1.09Å | 1.10Å | |
| C04 | H12 | sing | 1.09Å | 1.10Å | |
| C05 | H13 | sing | 1.09Å | 1.10Å | |
| C06 | H14 | sing | 1.09Å | 1.10Å | |
| C08 | H15 | sing | 1.09Å | 1.10Å | |
| C26 | H16 | sing | 1.08Å | 1.08Å | |
| C27 | H17 | sing | 1.08Å | 1.08Å | |
| C30 | H18 | sing | 1.08Å | 1.08Å | |
| C31 | H19 | sing | 1.08Å | 1.08Å | |
| C34 | H20 | sing | 1.09Å | 1.10Å | |
| C34 | H21 | sing | 1.09Å | 1.10Å | |
| C34 | H22 | sing | 1.09Å | 1.10Å | |
| C39 | H23 | sing | 1.09Å | 1.10Å | |
| C39 | H24 | sing | 1.09Å | 1.10Å | |
| C40 | H25 | sing | 1.09Å | 1.10Å | |
| C41 | H26 | sing | 1.09Å | 1.10Å | |
| C43 | H27 | sing | 1.09Å | 1.10Å | |
| C45 | H28 | sing | 1.09Å | 1.10Å | |
| C52 | H29 | sing | 1.08Å | 1.08Å | |
| C55 | H30 | sing | 1.08Å | 1.08Å | |
| N18 | H31 | sing | 0.97Å | 1.00Å | |
| N21 | H32 | sing | 0.97Å | 1.00Å | |
| N50 | H33 | sing | 0.97Å | 1.00Å | |
| N50 | H34 | sing | 0.97Å | 1.00Å | |
| O07 | H35 | sing | 0.97Å | 0.95Å | |
| O09 | H36 | sing | 0.97Å | 0.95Å | |
| O42 | H38 | sing | 0.97Å | 0.95Å | |
| O44 | H39 | sing | 0.97Å | 0.95Å | |
| O58 | H40 | sing | 0.97Å | 0.95Å | |
| O59 | H41 | sing | 0.97Å | 0.95Å | |
| C10 | O35 | sing | 1.44Å | 1.66Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C08 | C10 | N11 | 114.8° | 110.7° |
| C10 | C08 | C06 | 107.6° | 102.1° |
| C10 | C08 | O09 | 107.2° | 110.9° |
| C08 | C10 | H1 | 109.8° | 110.6° |
| C10 | C08 | H15 | 112.5° | 110.9° |
| C08 | C10 | O35 | 109.1° | 103.5° |
| C10 | N11 | C12 | 120.5° | 119.0° |
| C10 | N11 | C16 | 117.7° | 119.0° |
| N11 | C10 | H1 | 108.6° | 110.6° |
| N11 | C10 | O35 | 108.4° | 110.6° |
| C13 | C12 | N11 | 121.2° | 120.9° |
| C12 | C13 | C14 | 118.1° | 119.0° |
| C13 | C12 | H3 | 119.4° | 119.6° |
| C12 | C13 | H4 | 121.0° | 120.5° |
| C12 | N11 | C16 | 121.8° | 122.1° |
| N11 | C12 | H3 | 119.4° | 119.5° |
| C13 | C14 | C15 | 118.3° | 118.2° |
| C13 | C14 | C17 | 125.8° | 120.9° |
| C14 | C13 | H4 | 121.0° | 120.5° |
| C15 | C14 | C17 | 115.8° | 120.8° |
| C14 | C15 | C16 | 120.4° | 118.9° |
| C14 | C15 | H5 | 119.8° | 120.6° |
| C14 | C17 | C33 | 130.1° | 126.3° |
| C14 | C17 | N18 | 122.4° | 126.3° |
| C15 | C16 | N11 | 120.2° | 120.9° |
| C16 | C15 | H5 | 119.8° | 120.5° |
| C15 | C16 | H6 | 119.9° | 119.6° |
| N11 | C16 | H6 | 119.9° | 119.5° |
| C33 | C17 | N18 | 107.4° | 107.4° |
| C17 | C33 | C20 | 106.2° | 107.8° |
| C17 | C33 | C34 | 129.8° | 126.1° |
| C17 | N18 | N19 | 107.8° | 107.8° |
| C17 | N18 | H31 | 126.1° | 126.1° |
| C33 | C20 | N19 | 109.2° | 108.5° |
| C33 | C20 | N21 | 125.6° | 125.8° |
| C20 | C33 | C34 | 124.1° | 126.1° |
| N19 | C20 | N21 | 125.2° | 125.8° |
| C20 | N19 | N18 | 109.5° | 108.5° |
| C20 | N21 | C22 | 116.6° | 120.0° |
| C20 | N21 | H32 | 121.7° | 120.0° |
| C23 | C22 | N21 | 117.4° | 120.0° |
| C23 | C22 | O32 | 121.6° | 120.0° |
| C22 | C23 | C24 | 109.8° | 109.5° |
| C22 | C23 | H7 | 109.4° | 109.4° |
| C22 | C23 | H8 | 109.4° | 109.4° |
| N21 | C22 | O32 | 121.0° | 120.0° |
| C22 | N21 | H32 | 121.7° | 120.0° |
| C23 | C24 | C25 | 103.9° | 109.5° |
| C24 | C23 | H7 | 109.4° | 109.5° |
| C24 | C23 | H8 | 109.4° | 109.5° |
| C23 | C24 | H9 | 110.8° | 109.5° |
| C23 | C24 | H10 | 110.8° | 109.5° |
| C24 | C25 | C26 | 118.6° | 120.0° |
| C24 | C25 | C31 | 118.6° | 119.9° |
| C25 | C24 | H9 | 110.8° | 109.5° |
| C25 | C24 | H10 | 110.8° | 109.5° |
| C05 | C04 | O03 | 105.6° | 109.5° |
| C04 | C05 | C06 | 110.5° | 109.9° |
| C04 | C05 | O35 | 109.1° | 109.9° |
| C05 | C04 | H11 | 110.4° | 109.4° |
| C05 | C04 | H12 | 110.5° | 109.5° |
| C04 | C05 | H13 | 108.7° | 109.9° |
| C04 | O03 | P02 | 116.9° | 123.0° |
| O03 | C04 | H11 | 110.4° | 109.5° |
| O03 | C04 | H12 | 110.4° | 109.5° |
| C06 | C05 | O35 | 107.8° | 107.3° |
| C05 | C06 | C08 | 102.9° | 104.2° |
| C05 | C06 | O07 | 111.8° | 110.5° |
| C06 | C05 | H13 | 108.3° | 109.9° |
| C05 | C06 | H14 | 108.5° | 110.5° |
| O35 | C05 | H13 | 112.4° | 110.0° |
| C05 | O35 | C10 | 106.4° | 107.0° |
| C08 | C06 | O07 | 112.0° | 110.5° |
| C06 | C08 | O09 | 110.4° | 110.9° |
| C08 | C06 | H14 | 108.8° | 110.5° |
| C06 | C08 | H15 | 108.9° | 110.9° |
| O07 | C06 | H14 | 112.4° | 110.5° |
| C06 | O07 | H35 | 109.5° | 114.0° |
| O09 | C08 | H15 | 110.1° | 110.8° |
| C08 | O09 | H36 | 109.5° | 114.0° |
| C26 | C25 | C31 | 122.8° | 120.1° |
| C25 | C26 | C27 | 118.8° | 120.0° |
| C25 | C26 | H16 | 120.6° | 120.0° |
| C25 | C31 | C30 | 118.4° | 120.0° |
| C25 | C31 | H19 | 120.8° | 120.0° |
| C26 | C27 | C28 | 118.6° | 120.0° |
| C27 | C26 | H16 | 120.6° | 120.0° |
| C26 | C27 | H17 | 120.7° | 120.0° |
| C27 | C28 | C30 | 122.7° | 120.0° |
| C27 | C28 | CL29 | 118.3° | 120.0° |
| C28 | C27 | H17 | 120.7° | 120.0° |
| C30 | C28 | CL29 | 119.1° | 120.0° |
| C28 | C30 | C31 | 118.7° | 120.0° |
| C28 | C30 | H18 | 120.7° | 120.0° |
| C31 | C30 | H18 | 120.7° | 120.0° |
| C30 | C31 | H19 | 120.8° | 120.0° |
| C33 | C34 | H20 | 109.5° | 109.5° |
| C33 | C34 | H21 | 109.5° | 109.4° |
| C33 | C34 | H22 | 109.5° | 109.4° |
| C40 | C39 | O38 | 108.8° | 109.4° |
| C39 | C40 | C41 | 115.9° | 110.4° |
| C39 | C40 | O56 | 111.3° | 110.4° |
| C40 | C39 | H23 | 109.6° | 109.5° |
| C40 | C39 | H24 | 109.7° | 109.5° |
| C39 | C40 | H25 | 110.1° | 110.3° |
| C39 | O38 | P37 | 119.4° | 123.0° |
| O38 | C39 | H23 | 109.7° | 109.4° |
| O38 | C39 | H24 | 109.6° | 109.4° |
| C41 | C40 | O56 | 102.6° | 104.8° |
| C40 | C41 | C43 | 105.9° | 104.1° |
| C40 | C41 | O42 | 103.9° | 110.5° |
| C41 | C40 | H25 | 107.7° | 110.4° |
| C40 | C41 | H26 | 109.7° | 110.5° |
| C40 | O56 | C45 | 107.5° | 105.3° |
| O56 | C40 | H25 | 108.8° | 110.5° |
| C43 | C41 | O42 | 110.2° | 110.5° |
| C41 | C43 | C45 | 102.4° | 104.1° |
| C41 | C43 | O44 | 113.2° | 110.6° |
| C43 | C41 | H26 | 115.8° | 110.6° |
| C41 | C43 | H27 | 114.3° | 110.5° |
| O42 | C41 | H26 | 110.5° | 110.5° |
| C41 | O42 | H38 | 109.5° | 114.0° |
| C45 | C43 | O44 | 108.3° | 110.5° |
| C43 | C45 | N46 | 116.9° | 110.4° |
| C43 | C45 | O56 | 106.9° | 104.8° |
| C45 | C43 | H27 | 107.9° | 110.5° |
| C43 | C45 | H28 | 106.5° | 110.3° |
| O44 | C43 | H27 | 110.2° | 110.5° |
| C43 | O44 | H39 | 109.5° | 114.0° |
| N46 | C45 | O56 | 106.3° | 110.4° |
| C45 | N46 | C47 | 127.0° | 126.3° |
| C45 | N46 | C55 | 124.1° | 126.3° |
| N46 | C45 | H28 | 108.7° | 110.4° |
| O56 | C45 | H28 | 111.6° | 110.5° |
| C48 | C47 | N46 | 106.2° | 106.0° |
| C48 | C47 | N53 | 120.9° | 119.1° |
| C47 | C48 | C49 | 118.0° | 118.2° |
| C47 | C48 | N54 | 109.4° | 107.2° |
| N46 | C47 | N53 | 132.8° | 134.9° |
| C47 | N46 | C55 | 108.7° | 107.4° |
| C47 | N53 | C52 | 119.2° | 120.6° |
| C49 | C48 | N54 | 132.5° | 134.6° |
| C48 | C49 | N50 | 120.0° | 120.8° |
| C48 | C49 | N51 | 118.2° | 118.5° |
| C48 | N54 | C55 | 106.5° | 109.4° |
| N50 | C49 | N51 | 121.8° | 120.8° |
| C49 | N50 | H33 | 109.5° | 120.0° |
| C49 | N50 | H34 | 109.5° | 120.0° |
| C49 | N51 | C52 | 122.2° | 121.2° |
| N51 | C52 | N53 | 121.4° | 122.5° |
| N51 | C52 | H29 | 119.3° | 118.8° |
| N53 | C52 | H29 | 119.3° | 118.7° |
| N46 | C55 | N54 | 109.1° | 110.0° |
| N46 | C55 | H30 | 125.5° | 125.0° |
| N54 | C55 | H30 | 125.5° | 125.0° |
| N19 | N18 | H31 | 126.1° | 126.1° |
| O01 | P02 | O03 | 110.8° | 109.5° |
| O01 | P02 | O36 | 111.2° | 109.4° |
| O01 | P02 | O59 | 111.4° | 109.5° |
| O03 | P02 | O36 | 100.3° | 109.5° |
| O03 | P02 | O59 | 111.0° | 109.5° |
| P02 | O36 | P37 | 127.1° | 134.0° |
| O36 | P02 | O59 | 111.6° | 109.5° |
| O36 | P37 | O38 | 101.1° | 109.5° |
| O36 | P37 | O57 | 111.1° | 109.5° |
| O36 | P37 | O58 | 110.0° | 109.5° |
| O38 | P37 | O57 | 110.0° | 109.5° |
| O38 | P37 | O58 | 111.4° | 109.4° |
| O57 | P37 | O58 | 112.7° | 109.5° |
| P37 | O58 | H40 | 109.5° | 114.0° |
| P02 | O59 | H41 | 109.5° | 114.0° |
| H1 | C10 | O35 | 105.7° | 110.7° |
| H7 | C23 | H8 | 109.5° | 109.5° |
| H9 | C24 | H10 | 109.5° | 109.4° |
| H11 | C04 | H12 | 109.4° | 109.5° |
| H20 | C34 | H21 | 109.5° | 109.5° |
| H20 | C34 | H22 | 109.4° | 109.5° |
| H21 | C34 | H22 | 109.5° | 109.5° |
| H23 | C39 | H24 | 109.4° | 109.5° |
| H33 | N50 | H34 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C08 | C10 | N11 | H1 | 123.3° | 122.9° |
| C08 | C10 | N11 | O35 | 122.3° | 114.1° |
| C08 | C10 | N11 | C12 | 132.3° | 100.0° |
| C08 | C10 | N11 | C16 | 49.0° | 80.0° |
| C10 | C08 | C06 | C05 | 19.5° | 20.9° |
| C08 | C10 | O35 | C05 | 8.7° | 40.0° |
| C10 | C08 | C06 | O09 | 116.7° | 118.2° |
| C10 | C08 | C06 | H15 | 122.3° | 118.2° |
| C10 | C08 | C06 | O07 | 100.7° | 97.8° |
| C10 | C08 | O09 | H15 | 122.8° | 123.6° |
| C08 | C10 | H1 | O35 | 117.6° | 114.1° |
| C10 | C08 | C06 | H14 | 134.5° | 139.6° |
| C10 | C08 | O09 | H36 | 180.0° | 180.0° |
| C10 | N11 | C12 | C13 | 178.3° | 180.0° |
| C10 | N11 | C12 | C16 | 178.7° | 180.0° |
| C10 | N11 | C16 | C15 | 178.0° | 180.0° |
| N11 | C10 | O35 | C05 | 117.0° | 158.6° |
| N11 | C10 | C08 | C06 | 130.1° | 155.5° |
| N11 | C10 | C08 | O09 | 111.1° | 86.3° |
| N11 | C10 | H1 | O35 | 116.1° | 122.9° |
| C10 | N11 | C12 | H3 | 1.7° | 0.3° |
| C10 | N11 | C16 | H6 | 2.0° | 0.0° |
| N11 | C10 | C08 | H15 | 10.1° | 37.3° |
| C13 | C12 | N11 | H3 | 180.0° | 179.7° |
| C12 | C13 | C14 | H4 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 1.4° | 0.0° |
| C12 | C13 | C14 | C17 | 178.1° | 180.0° |
| C13 | C12 | N11 | C16 | 0.4° | 0.0° |
| N11 | C12 | C13 | C14 | 0.7° | 0.0° |
| C12 | N11 | C16 | C15 | 0.7° | 0.0° |
| C12 | N11 | C10 | H1 | 104.4° | 22.9° |
| N11 | C12 | C13 | H4 | 179.2° | 180.0° |
| C12 | N11 | C16 | H6 | 179.3° | 180.0° |
| C12 | N11 | C10 | O35 | 10.0° | 145.9° |
| C13 | C14 | C15 | C17 | 177.0° | 180.0° |
| C13 | C14 | C15 | C16 | 1.8° | 0.0° |
| C13 | C14 | C17 | C33 | 6.7° | 134.9° |
| C13 | C14 | C17 | N18 | 178.6° | 45.3° |
| C14 | C13 | C12 | H3 | 179.2° | 179.7° |
| C13 | C14 | C15 | H5 | 178.2° | 180.0° |
| C14 | C15 | C16 | H5 | 180.0° | 180.0° |
| C14 | C15 | C16 | N11 | 1.4° | 0.0° |
| C15 | C14 | C17 | C33 | 170.0° | 45.1° |
| C15 | C14 | C17 | N18 | 4.7° | 134.7° |
| C15 | C14 | C13 | H4 | 178.5° | 180.0° |
| C14 | C15 | C16 | H6 | 178.6° | 180.0° |
| C17 | C14 | C15 | C16 | 178.7° | 180.0° |
| C14 | C17 | C33 | N18 | 175.3° | 179.8° |
| C14 | C17 | C33 | C20 | 177.4° | 180.0° |
| C14 | C17 | C33 | C34 | 3.9° | 0.1° |
| C14 | C17 | N18 | N19 | 177.5° | 180.0° |
| C17 | C14 | C13 | H4 | 1.9° | 0.0° |
| C17 | C14 | C15 | H5 | 1.3° | 0.0° |
| C14 | C17 | N18 | H31 | 2.5° | 0.1° |
| C15 | C16 | N11 | H6 | 180.0° | 180.0° |
| C16 | N11 | C10 | H1 | 74.3° | 157.1° |
| C16 | N11 | C12 | H3 | 179.6° | 179.7° |
| N11 | C16 | C15 | H5 | 178.6° | 180.0° |
| C16 | N11 | C10 | O35 | 171.3° | 34.1° |
| C17 | C33 | C20 | C34 | 178.8° | 179.9° |
| C17 | C33 | C20 | N19 | 1.6° | 0.1° |
| C17 | C33 | C20 | N21 | 179.9° | 180.0° |
| C33 | C17 | N18 | N19 | 1.8° | 0.2° |
| C17 | C33 | C34 | H20 | 89.2° | 90.0° |
| C17 | C33 | C34 | H21 | 150.8° | 150.0° |
| C17 | C33 | C34 | H22 | 30.8° | 30.1° |
| C33 | C17 | N18 | H31 | 178.2° | 179.7° |
| N18 | C17 | C33 | C20 | 2.0° | 0.2° |
| C17 | N18 | N19 | C20 | 0.8° | 0.2° |
| N18 | C17 | C33 | C34 | 179.2° | 179.8° |
| C17 | N18 | N19 | H31 | 180.0° | 179.9° |
| C33 | C20 | N19 | N21 | 178.5° | 179.9° |
| C33 | C20 | N21 | C22 | 163.3° | 180.0° |
| C33 | C20 | N19 | N18 | 0.5° | 0.0° |
| C20 | C33 | C34 | H20 | 89.3° | 90.0° |
| C20 | C33 | C34 | H21 | 30.7° | 30.0° |
| C20 | C33 | C34 | H22 | 150.7° | 150.0° |
| C33 | C20 | N21 | H32 | 16.7° | 0.1° |
| N19 | C20 | N21 | C22 | 18.5° | 0.1° |
| N19 | C20 | C33 | C34 | 179.6° | 179.9° |
| C20 | N19 | N18 | H31 | 179.2° | 179.8° |
| N19 | C20 | N21 | H32 | 161.5° | 179.8° |
| C20 | N21 | C22 | C23 | 179.1° | 180.0° |
| C20 | N21 | C22 | H32 | 180.0° | 179.9° |
| C20 | N21 | C22 | O32 | 1.2° | 0.0° |
| N21 | C20 | C33 | C34 | 1.1° | 0.1° |
| N21 | C20 | N19 | N18 | 179.0° | 179.9° |
| C23 | C22 | N21 | O32 | 179.7° | 180.0° |
| C22 | C23 | C24 | H7 | 120.0° | 119.9° |
| C22 | C23 | C24 | H8 | 120.0° | 120.0° |
| C22 | C23 | C24 | C25 | 178.2° | 180.0° |
| C22 | C23 | H7 | H8 | 119.8° | 120.0° |
| C22 | C23 | C24 | H9 | 59.0° | 60.0° |
| C22 | C23 | C24 | H10 | 62.7° | 59.9° |
| C23 | C22 | N21 | H32 | 0.9° | 0.0° |
| N21 | C22 | C23 | C24 | 173.7° | 180.0° |
| N21 | C22 | C23 | H7 | 66.2° | 60.0° |
| N21 | C22 | C23 | H8 | 53.7° | 60.0° |
| O32 | C22 | C23 | C24 | 6.0° | 0.0° |
| O32 | C22 | C23 | H7 | 114.1° | 120.0° |
| O32 | C22 | C23 | H8 | 126.0° | 120.0° |
| O32 | C22 | N21 | H32 | 178.8° | 179.9° |
| C23 | C24 | C25 | H9 | 119.1° | 120.0° |
| C23 | C24 | C25 | H10 | 119.1° | 120.1° |
| C23 | C24 | C25 | C26 | 85.9° | 90.0° |
| C23 | C24 | C25 | C31 | 92.3° | 90.3° |
| C24 | C23 | H7 | H8 | 119.9° | 120.1° |
| C23 | C24 | H9 | H10 | 122.5° | 120.0° |
| C24 | C25 | C26 | C31 | 178.2° | 179.7° |
| C24 | C25 | C26 | C27 | 179.7° | 180.0° |
| C24 | C25 | C31 | C30 | 179.2° | 179.7° |
| C25 | C24 | C23 | H7 | 61.8° | 60.1° |
| C25 | C24 | C23 | H8 | 58.1° | 60.0° |
| C25 | C24 | H9 | H10 | 122.6° | 120.0° |
| C24 | C25 | C26 | H16 | 0.2° | 0.1° |
| C24 | C25 | C31 | H19 | 0.8° | 0.0° |
| C05 | C04 | O03 | H11 | 119.4° | 120.0° |
| C05 | C04 | O03 | H12 | 119.4° | 120.0° |
| C04 | C05 | C06 | O35 | 119.2° | 119.4° |
| C04 | C05 | C06 | H13 | 119.0° | 121.0° |
| C04 | C05 | O35 | H13 | 120.7° | 121.1° |
| C04 | C05 | C06 | C08 | 93.5° | 121.5° |
| C04 | C05 | C06 | O07 | 146.2° | 119.9° |
| C05 | C04 | O03 | P02 | 175.5° | 180.0° |
| C05 | C04 | H11 | H12 | 121.8° | 120.0° |
| C04 | C05 | C06 | H14 | 21.7° | 2.7° |
| C04 | C05 | O35 | C10 | 99.2° | 145.9° |
| O03 | C04 | C05 | C06 | 178.5° | 175.0° |
| O03 | C04 | C05 | O35 | 63.1° | 67.2° |
| C04 | O03 | P02 | O01 | 55.8° | 55.0° |
| C04 | O03 | P02 | O36 | 61.7° | 174.9° |
| C04 | O03 | P02 | O59 | 179.8° | 65.0° |
| O03 | C04 | H11 | H12 | 121.7° | 120.1° |
| O03 | C04 | C05 | H13 | 59.8° | 53.9° |
| C06 | C05 | O35 | H13 | 119.2° | 119.5° |
| C05 | C06 | C08 | O07 | 120.2° | 118.7° |
| C05 | C06 | C08 | H14 | 114.9° | 118.7° |
| C05 | C06 | O07 | H14 | 122.3° | 122.6° |
| C05 | C06 | C08 | O09 | 136.2° | 139.1° |
| C06 | C05 | C04 | H11 | 59.1° | 55.0° |
| C06 | C05 | C04 | H12 | 62.1° | 64.9° |
| C05 | C06 | C08 | H15 | 102.7° | 97.4° |
| C05 | C06 | O07 | H35 | 180.0° | 180.0° |
| C06 | C05 | O35 | C10 | 20.9° | 26.5° |
| O35 | C05 | C06 | C08 | 25.7° | 2.0° |
| O35 | C05 | C06 | O07 | 94.6° | 120.7° |
| C05 | O35 | C10 | H1 | 126.8° | 78.5° |
| O35 | C05 | C04 | H11 | 177.5° | 172.8° |
| O35 | C05 | C04 | H12 | 56.3° | 52.9° |
| O35 | C05 | C06 | H14 | 140.9° | 116.7° |
| C08 | C06 | O07 | H14 | 122.8° | 122.6° |
| C06 | C08 | O09 | H15 | 120.3° | 123.6° |
| C06 | C08 | C10 | H1 | 107.3° | 81.6° |
| C08 | C06 | C05 | H13 | 147.5° | 117.5° |
| C08 | C06 | O07 | H35 | 65.1° | 65.2° |
| C06 | C08 | O09 | H36 | 63.1° | 67.2° |
| C06 | C08 | C10 | O35 | 8.2° | 37.0° |
| O07 | C06 | C08 | O09 | 16.0° | 20.4° |
| O07 | C06 | C05 | H13 | 27.2° | 1.1° |
| O07 | C06 | C08 | H15 | 137.1° | 144.0° |
| O09 | C08 | C10 | H1 | 11.5° | 36.6° |
| O09 | C08 | C06 | H14 | 108.8° | 102.2° |
| O09 | C08 | C10 | O35 | 126.9° | 155.2° |
| C25 | C26 | C27 | H16 | 180.0° | 179.9° |
| C25 | C26 | C27 | C28 | 1.0° | 0.1° |
| C26 | C25 | C31 | C30 | 1.0° | 0.6° |
| C26 | C25 | C24 | H9 | 33.2° | 30.1° |
| C26 | C25 | C24 | H10 | 155.0° | 150.0° |
| C25 | C26 | C27 | H17 | 179.0° | 180.0° |
| C26 | C25 | C31 | H19 | 178.9° | 179.8° |
| C31 | C25 | C26 | C27 | 1.6° | 0.2° |
| C25 | C31 | C30 | C28 | 0.0° | 0.6° |
| C25 | C31 | C30 | H19 | 180.0° | 179.7° |
| C31 | C25 | C24 | H9 | 148.5° | 149.7° |
| C31 | C25 | C24 | H10 | 26.8° | 29.8° |
| C31 | C25 | C26 | H16 | 178.4° | 179.7° |
| C25 | C31 | C30 | H18 | 180.0° | 179.7° |
| C26 | C27 | C28 | H17 | 180.0° | 179.9° |
| C26 | C27 | C28 | C30 | 0.1° | 0.0° |
| C26 | C27 | C28 | CL29 | 179.9° | 180.0° |
| C27 | C28 | C30 | CL29 | 179.8° | 180.0° |
| C27 | C28 | C30 | C31 | 0.6° | 0.3° |
| C28 | C27 | C26 | H16 | 179.0° | 180.0° |
| C27 | C28 | C30 | H18 | 179.4° | 180.0° |
| C28 | C30 | C31 | H18 | 180.0° | 179.7° |
| C30 | C28 | C27 | H17 | 179.9° | 180.0° |
| C28 | C30 | C31 | H19 | 180.0° | 179.7° |
| CL29 | C28 | C30 | C31 | 179.6° | 179.7° |
| CL29 | C28 | C27 | H17 | 0.1° | 0.0° |
| CL29 | C28 | C30 | H18 | 0.4° | 0.0° |
| C33 | C34 | H20 | H21 | 120.0° | 120.0° |
| C33 | C34 | H20 | H22 | 120.0° | 120.0° |
| C33 | C34 | H21 | H22 | 120.0° | 119.9° |
| C40 | C39 | O38 | H23 | 119.9° | 120.0° |
| C40 | C39 | O38 | H24 | 119.9° | 120.0° |
| C39 | C40 | C41 | O56 | 121.6° | 118.8° |
| C39 | C40 | C41 | H25 | 123.8° | 122.2° |
| C39 | C40 | O56 | H25 | 121.5° | 122.3° |
| C39 | C40 | C41 | C43 | 92.8° | 142.8° |
| C39 | C40 | C41 | O42 | 151.1° | 98.5° |
| C39 | C40 | O56 | C45 | 121.7° | 159.3° |
| C40 | C39 | O38 | P37 | 144.7° | 180.0° |
| C40 | C39 | H23 | H24 | 120.3° | 120.1° |
| C39 | C40 | C41 | H26 | 32.9° | 24.1° |
| O38 | C39 | C40 | C41 | 45.7° | 175.0° |
| O38 | C39 | C40 | O56 | 71.1° | 69.6° |
| C39 | O38 | P37 | O36 | 63.4° | 175.0° |
| C39 | O38 | P37 | O57 | 179.1° | 55.0° |
| C39 | O38 | P37 | O58 | 53.4° | 65.0° |
| O38 | C39 | H23 | H24 | 120.3° | 120.0° |
| O38 | C39 | C40 | H25 | 168.3° | 52.7° |
| C41 | C40 | O56 | H25 | 113.9° | 118.9° |
| C40 | C41 | C43 | O42 | 111.8° | 118.7° |
| C40 | C41 | C43 | H26 | 121.9° | 118.6° |
| C40 | C41 | O42 | H26 | 117.7° | 122.6° |
| C40 | C41 | C43 | C45 | 36.5° | 0.0° |
| C40 | C41 | C43 | O44 | 152.8° | 118.7° |
| C41 | C40 | O56 | C45 | 2.9° | 40.5° |
| C41 | C40 | C39 | H23 | 165.6° | 55.1° |
| C41 | C40 | C39 | H24 | 74.2° | 65.0° |
| C40 | C41 | C43 | H27 | 79.8° | 118.6° |
| C40 | C41 | O42 | H38 | 180.0° | 180.0° |
| O56 | C40 | C41 | C43 | 28.7° | 24.0° |
| O56 | C40 | C41 | O42 | 87.4° | 142.6° |
| C40 | O56 | C45 | C43 | 17.0° | 40.5° |
| C40 | O56 | C45 | N46 | 142.6° | 159.3° |
| O56 | C40 | C39 | H23 | 48.9° | 170.4° |
| O56 | C40 | C39 | H24 | 169.0° | 50.3° |
| O56 | C40 | C41 | H26 | 154.4° | 94.7° |
| C40 | O56 | C45 | H28 | 99.1° | 78.3° |
| C43 | C41 | O42 | H26 | 129.3° | 122.7° |
| C41 | C43 | C45 | O44 | 119.8° | 118.7° |
| C41 | C43 | C45 | H27 | 120.9° | 118.6° |
| C41 | C43 | O44 | H27 | 129.5° | 122.7° |
| C41 | C43 | C45 | N46 | 156.1° | 142.8° |
| C41 | C43 | C45 | O56 | 37.2° | 24.0° |
| C43 | C41 | C40 | H25 | 143.4° | 94.9° |
| C41 | C43 | C45 | H28 | 82.2° | 94.9° |
| C43 | C41 | O42 | H38 | 66.9° | 65.4° |
| C41 | C43 | O44 | H39 | 180.0° | 61.4° |
| O42 | C41 | C43 | C45 | 75.3° | 118.7° |
| O42 | C41 | C43 | O44 | 41.0° | 0.0° |
| O42 | C41 | C40 | H25 | 27.3° | 23.7° |
| O42 | C41 | C43 | H27 | 168.4° | 122.7° |
| C45 | C43 | O44 | H27 | 117.8° | 122.6° |
| C43 | C45 | N46 | O56 | 119.2° | 115.4° |
| C43 | C45 | N46 | H28 | 120.6° | 122.3° |
| C43 | C45 | O56 | H28 | 116.1° | 118.8° |
| C43 | C45 | N46 | C47 | 87.5° | 85.0° |
| C43 | C45 | N46 | C55 | 97.9° | 95.0° |
| C45 | C43 | C41 | H26 | 158.4° | 118.6° |
| C45 | C43 | O44 | H39 | 67.3° | 176.1° |
| O44 | C43 | C45 | N46 | 84.1° | 98.5° |
| O44 | C43 | C45 | O56 | 157.0° | 142.7° |
| O44 | C43 | C41 | H26 | 85.3° | 122.7° |
| O44 | C43 | C45 | H28 | 37.6° | 23.8° |
| N46 | C45 | O56 | H28 | 118.4° | 122.3° |
| C45 | N46 | C47 | C48 | 176.5° | 180.0° |
| C45 | N46 | C47 | C55 | 175.3° | 180.0° |
| C45 | N46 | C47 | N53 | 3.7° | 0.2° |
| C45 | N46 | C55 | N54 | 177.4° | 180.0° |
| N46 | C45 | C43 | H27 | 35.1° | 24.2° |
| C45 | N46 | C55 | H30 | 2.6° | 0.0° |
| O56 | C45 | N46 | C47 | 153.3° | 159.6° |
| O56 | C45 | N46 | C55 | 21.3° | 20.4° |
| C45 | O56 | C40 | H25 | 116.8° | 78.4° |
| O56 | C45 | C43 | H27 | 83.7° | 94.7° |
| C48 | C47 | N46 | N53 | 179.9° | 179.8° |
| C47 | C48 | C49 | N54 | 179.3° | 180.0° |
| C47 | C48 | C49 | N50 | 179.4° | 180.0° |
| C47 | C48 | C49 | N51 | 0.0° | 0.0° |
| C48 | C47 | N53 | C52 | 0.7° | 0.4° |
| C48 | C47 | N46 | C55 | 1.2° | 0.0° |
| C47 | C48 | N54 | C55 | 1.2° | 0.0° |
| N46 | C47 | C48 | C49 | 179.5° | 180.0° |
| N46 | C47 | C48 | N54 | 0.0° | 0.0° |
| N46 | C47 | N53 | C52 | 179.1° | 179.8° |
| C47 | N46 | C55 | N54 | 2.0° | 0.0° |
| C47 | N46 | C45 | H28 | 33.1° | 37.2° |
| C47 | N46 | C55 | H30 | 178.0° | 179.9° |
| N53 | C47 | C48 | C49 | 0.4° | 0.2° |
| N53 | C47 | C48 | N54 | 179.9° | 179.8° |
| C47 | N53 | C52 | N51 | 0.7° | 0.4° |
| N53 | C47 | N46 | C55 | 178.9° | 179.7° |
| C47 | N53 | C52 | H29 | 179.3° | 179.8° |
| C48 | C49 | N50 | N51 | 179.3° | 179.9° |
| C48 | C49 | N51 | C52 | 0.0° | 0.0° |
| C49 | C48 | N54 | C55 | 179.5° | 180.0° |
| C48 | C49 | N50 | H33 | 179.3° | 0.1° |
| C48 | C49 | N50 | H34 | 60.6° | 180.0° |
| N54 | C48 | C49 | N50 | 0.0° | 0.1° |
| N54 | C48 | C49 | N51 | 179.3° | 180.0° |
| C48 | N54 | C55 | N46 | 1.9° | 0.0° |
| C48 | N54 | C55 | H30 | 178.0° | 180.0° |
| N50 | C49 | N51 | C52 | 179.4° | 180.0° |
| C49 | N50 | H33 | H34 | 120.0° | 179.9° |
| C49 | N51 | C52 | N53 | 0.3° | 0.2° |
| C49 | N51 | C52 | H29 | 179.7° | 180.0° |
| N51 | C49 | N50 | H33 | 0.0° | 180.0° |
| N51 | C49 | N50 | H34 | 120.0° | 0.1° |
| N51 | C52 | N53 | H29 | 180.0° | 179.8° |
| N46 | C55 | N54 | H30 | 180.0° | 179.9° |
| C55 | N46 | C45 | H28 | 141.5° | 142.7° |
| O01 | P02 | O03 | O36 | 117.5° | 119.9° |
| O01 | P02 | O03 | O59 | 124.4° | 120.0° |
| O01 | P02 | O36 | O59 | 125.1° | 120.0° |
| O01 | P02 | O36 | P37 | 88.9° | 40.0° |
| O01 | P02 | O59 | H41 | 0.0° | 180.0° |
| O03 | P02 | O36 | O59 | 117.7° | 120.0° |
| O03 | P02 | O36 | P37 | 153.9° | 160.0° |
| P02 | O03 | C04 | H11 | 56.1° | 60.0° |
| P02 | O03 | C04 | H12 | 65.1° | 60.0° |
| O03 | P02 | O59 | H41 | 124.0° | 60.0° |
| P02 | O36 | P37 | O38 | 146.9° | 165.1° |
| P02 | O36 | P37 | O57 | 30.2° | 45.0° |
| P02 | O36 | P37 | O58 | 95.3° | 75.0° |
| O36 | P02 | O59 | H41 | 125.0° | 60.1° |
| O36 | P37 | O38 | O57 | 117.5° | 120.0° |
| O36 | P37 | O38 | O58 | 116.8° | 120.0° |
| O36 | P37 | O57 | O58 | 123.9° | 120.0° |
| P37 | O36 | P02 | O59 | 36.2° | 79.9° |
| O36 | P37 | O58 | H40 | 124.5° | 60.0° |
| O38 | P37 | O57 | O58 | 124.9° | 120.0° |
| P37 | O38 | C39 | H23 | 24.8° | 60.0° |
| P37 | O38 | C39 | H24 | 95.4° | 60.1° |
| O38 | P37 | O58 | H40 | 124.1° | 60.0° |
| O57 | P37 | O58 | H40 | 0.0° | 180.0° |
| H1 | C10 | C08 | H15 | 132.8° | 160.2° |
| H3 | C12 | C13 | H4 | 0.8° | 0.3° |
| H5 | C15 | C16 | H6 | 1.4° | 0.0° |
| H7 | C23 | C24 | H9 | 179.1° | 179.9° |
| H7 | C23 | C24 | H10 | 57.3° | 60.0° |
| H8 | C23 | C24 | H9 | 61.0° | 60.0° |
| H8 | C23 | C24 | H10 | 177.3° | 179.9° |
| H11 | C04 | C05 | H13 | 59.6° | 66.0° |
| H12 | C04 | C05 | H13 | 179.2° | 174.0° |
| H13 | C05 | C06 | H14 | 97.3° | 123.8° |
| H13 | C05 | O35 | C10 | 140.1° | 93.0° |
| H14 | C06 | C08 | H15 | 12.2° | 21.4° |
| H14 | C06 | O07 | H35 | 57.7° | 57.4° |
| H15 | C08 | O09 | H36 | 57.2° | 56.4° |
| H15 | C08 | C10 | O35 | 111.8° | 81.2° |
| H16 | C26 | C27 | H17 | 1.0° | 0.1° |
| H18 | C30 | C31 | H19 | 0.0° | 0.1° |
| H20 | C34 | H21 | H22 | 119.9° | 120.1° |
| H23 | C39 | C40 | H25 | 71.8° | 67.2° |
| H24 | C39 | C40 | H25 | 48.4° | 172.7° |
| H25 | C40 | C41 | H26 | 90.9° | 146.4° |
| H26 | C41 | C43 | H27 | 42.0° | 0.0° |
| H26 | C41 | O42 | H38 | 62.4° | 57.4° |
| H27 | C43 | C45 | H28 | 156.9° | 146.4° |
| H27 | C43 | O44 | H39 | 50.5° | 61.3° |
