Z9Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N05 | C06 | sing | 1.32Å | 1.38Å | Aromatic |
| N05 | C04 | doub | 1.29Å | 1.36Å | Aromatic |
| C07 | C06 | sing | 1.51Å | 1.52Å | |
| C07 | N08 | sing | 1.47Å | 1.47Å | |
| C03 | C02 | sing | 1.53Å | 1.56Å | |
| C02 | C04 | sing | 1.51Å | 1.49Å | |
| C02 | C01 | sing | 1.53Å | 1.56Å | |
| C06 | C49 | doub | 1.34Å | 1.40Å | Aromatic |
| C04 | S50 | sing | 1.71Å | 1.73Å | Aromatic |
| C49 | S50 | sing | 1.76Å | 1.74Å | Aromatic |
| N08 | C09 | sing | 1.46Å | 1.52Å | |
| N08 | C10 | sing | 1.35Å | 1.33Å | |
| O11 | C10 | doub | 1.22Å | 1.24Å | |
| C10 | N12 | sing | 1.35Å | 1.37Å | |
| N12 | C13 | sing | 1.47Å | 1.47Å | |
| C42 | C43 | doub | 1.38Å | 1.39Å | Aromatic |
| C42 | C41 | sing | 1.38Å | 1.40Å | Aromatic |
| C35 | C36 | doub | 1.38Å | 1.41Å | Aromatic |
| C35 | C34 | sing | 1.39Å | 1.38Å | Aromatic |
| C36 | N37 | sing | 1.32Å | 1.34Å | Aromatic |
| C43 | C44 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.51Å | 1.52Å | |
| C13 | C46 | sing | 1.53Å | 1.54Å | |
| C41 | C40 | doub | 1.38Å | 1.40Å | Aromatic |
| C48 | C46 | sing | 1.53Å | 1.54Å | |
| C34 | C33 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | O15 | doub | 1.21Å | 1.35Å | |
| C14 | N16 | sing | 1.35Å | 1.34Å | |
| N37 | C38 | doub | 1.32Å | 1.33Å | Aromatic |
| C44 | C45 | doub | 1.38Å | 1.40Å | Aromatic |
| N16 | C17 | sing | 1.46Å | 1.46Å | |
| C46 | C47 | sing | 1.53Å | 1.51Å | |
| C40 | C45 | sing | 1.38Å | 1.39Å | Aromatic |
| C40 | C39 | sing | 1.51Å | 1.52Å | |
| C33 | C38 | sing | 1.38Å | 1.40Å | Aromatic |
| C33 | C32 | sing | 1.51Å | 1.49Å | |
| C17 | C39 | sing | 1.53Å | 1.54Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| O31 | C32 | sing | 1.45Å | 1.40Å | |
| O31 | C29 | sing | 1.35Å | 1.42Å | |
| C18 | C19 | sing | 1.53Å | 1.51Å | |
| N28 | C29 | sing | 1.35Å | 1.33Å | |
| N28 | C20 | sing | 1.47Å | 1.45Å | |
| C29 | O30 | doub | 1.22Å | 1.22Å | |
| C20 | C19 | sing | 1.53Å | 1.51Å | |
| C20 | C21 | sing | 1.53Å | 1.51Å | |
| C24 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | C21 | sing | 1.51Å | 1.49Å | |
| C22 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C32 | H1 | sing | 1.09Å | 1.10Å | |
| C32 | H2 | sing | 1.09Å | 1.10Å | |
| C38 | H3 | sing | 1.08Å | 1.08Å | |
| C36 | H4 | sing | 1.08Å | 1.08Å | |
| C35 | H5 | sing | 1.08Å | 1.08Å | |
| C34 | H6 | sing | 1.08Å | 1.08Å | |
| N28 | H7 | sing | 0.97Å | 1.00Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C27 | H11 | sing | 1.08Å | 1.08Å | |
| C26 | H12 | sing | 1.08Å | 1.08Å | |
| C25 | H13 | sing | 1.08Å | 1.08Å | |
| C24 | H14 | sing | 1.08Å | 1.08Å | |
| C23 | H15 | sing | 1.08Å | 1.08Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C39 | H21 | sing | 1.09Å | 1.10Å | |
| C39 | H22 | sing | 1.09Å | 1.10Å | |
| C45 | H23 | sing | 1.08Å | 1.08Å | |
| C44 | H24 | sing | 1.08Å | 1.08Å | |
| C43 | H25 | sing | 1.08Å | 1.08Å | |
| C42 | H26 | sing | 1.08Å | 1.08Å | |
| C41 | H27 | sing | 1.08Å | 1.08Å | |
| N16 | H28 | sing | 0.97Å | 1.00Å | |
| C13 | H29 | sing | 1.09Å | 1.10Å | |
| C46 | H30 | sing | 1.09Å | 1.10Å | |
| C48 | H31 | sing | 1.09Å | 1.10Å | |
| C48 | H32 | sing | 1.09Å | 1.10Å | |
| C48 | H33 | sing | 1.09Å | 1.10Å | |
| C47 | H34 | sing | 1.09Å | 1.10Å | |
| C47 | H35 | sing | 1.09Å | 1.10Å | |
| C47 | H36 | sing | 1.09Å | 1.10Å | |
| N12 | H37 | sing | 0.97Å | 1.00Å | |
| C09 | H38 | sing | 1.09Å | 1.10Å | |
| C09 | H39 | sing | 1.09Å | 1.10Å | |
| C09 | H40 | sing | 1.09Å | 1.10Å | |
| C07 | H41 | sing | 1.09Å | 1.10Å | |
| C07 | H42 | sing | 1.09Å | 1.10Å | |
| C49 | H43 | sing | 1.08Å | 1.08Å | |
| C02 | H44 | sing | 1.09Å | 1.10Å | |
| C03 | H45 | sing | 1.09Å | 1.10Å | |
| C03 | H46 | sing | 1.09Å | 1.10Å | |
| C03 | H47 | sing | 1.09Å | 1.10Å | |
| C01 | H48 | sing | 1.09Å | 1.10Å | |
| C01 | H49 | sing | 1.09Å | 1.10Å | |
| C01 | H50 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C06 | N05 | C04 | 115.0° | 117.1° |
| N05 | C06 | C07 | 122.5° | 122.8° |
| N05 | C06 | C49 | 114.9° | 114.5° |
| N05 | C04 | C02 | 132.5° | 124.9° |
| N05 | C04 | S50 | 108.8° | 110.2° |
| C06 | C07 | N08 | 106.7° | 109.4° |
| C07 | C06 | C49 | 122.6° | 122.8° |
| C06 | C07 | H41 | 110.2° | 109.5° |
| C06 | C07 | H42 | 110.2° | 109.4° |
| C07 | N08 | C09 | 117.3° | 120.0° |
| C07 | N08 | C10 | 121.1° | 120.0° |
| N08 | C07 | H41 | 110.1° | 109.5° |
| N08 | C07 | H42 | 110.1° | 109.5° |
| C03 | C02 | C04 | 110.6° | 109.5° |
| C03 | C02 | C01 | 111.8° | 109.5° |
| C03 | C02 | H44 | 108.8° | 109.4° |
| C02 | C03 | H45 | 109.5° | 109.4° |
| C02 | C03 | H46 | 109.4° | 109.5° |
| C02 | C03 | H47 | 109.5° | 109.4° |
| C04 | C02 | C01 | 107.0° | 109.5° |
| C02 | C04 | S50 | 118.6° | 124.9° |
| C04 | C02 | H44 | 109.8° | 109.5° |
| C01 | C02 | H44 | 108.8° | 109.5° |
| C02 | C01 | H48 | 109.5° | 109.5° |
| C02 | C01 | H49 | 109.5° | 109.4° |
| C02 | C01 | H50 | 109.5° | 109.5° |
| C06 | C49 | S50 | 106.7° | 108.0° |
| C06 | C49 | H43 | 126.7° | 126.0° |
| C04 | S50 | C49 | 94.5° | 90.3° |
| S50 | C49 | H43 | 126.7° | 126.0° |
| C09 | N08 | C10 | 121.6° | 120.0° |
| N08 | C09 | H38 | 109.5° | 109.5° |
| N08 | C09 | H39 | 109.5° | 109.5° |
| N08 | C09 | H40 | 109.5° | 109.5° |
| N08 | C10 | O11 | 118.3° | 120.0° |
| N08 | C10 | N12 | 117.3° | 120.0° |
| O11 | C10 | N12 | 124.4° | 120.0° |
| C10 | N12 | C13 | 127.4° | 120.0° |
| C10 | N12 | H37 | 116.3° | 120.0° |
| N12 | C13 | C14 | 113.0° | 109.4° |
| N12 | C13 | C46 | 116.0° | 109.5° |
| N12 | C13 | H29 | 106.0° | 109.5° |
| C13 | N12 | H37 | 116.3° | 120.0° |
| C43 | C42 | C41 | 119.0° | 120.0° |
| C42 | C43 | C44 | 119.3° | 120.0° |
| C42 | C43 | H25 | 120.3° | 120.0° |
| C43 | C42 | H26 | 120.5° | 120.0° |
| C42 | C41 | C40 | 122.0° | 120.0° |
| C41 | C42 | H26 | 120.5° | 120.0° |
| C42 | C41 | H27 | 119.0° | 120.0° |
| C36 | C35 | C34 | 119.4° | 119.1° |
| C35 | C36 | N37 | 125.1° | 120.8° |
| C35 | C36 | H4 | 117.5° | 119.6° |
| C36 | C35 | H5 | 120.3° | 120.4° |
| C35 | C34 | C33 | 114.9° | 118.5° |
| C34 | C35 | H5 | 120.3° | 120.5° |
| C35 | C34 | H6 | 122.5° | 120.8° |
| C36 | N37 | C38 | 116.1° | 121.8° |
| N37 | C36 | H4 | 117.4° | 119.6° |
| C43 | C44 | C45 | 121.3° | 120.0° |
| C43 | C44 | H24 | 119.4° | 120.0° |
| C44 | C43 | H25 | 120.3° | 120.0° |
| C14 | C13 | C46 | 110.1° | 109.5° |
| C13 | C14 | O15 | 117.5° | 120.0° |
| C13 | C14 | N16 | 119.4° | 120.0° |
| C14 | C13 | H29 | 105.6° | 109.5° |
| C13 | C46 | C48 | 117.7° | 109.5° |
| C13 | C46 | C47 | 110.2° | 109.5° |
| C46 | C13 | H29 | 105.3° | 109.5° |
| C13 | C46 | H30 | 106.5° | 109.5° |
| C41 | C40 | C45 | 118.5° | 120.0° |
| C41 | C40 | C39 | 122.6° | 120.0° |
| C40 | C41 | H27 | 119.0° | 120.0° |
| C48 | C46 | C47 | 108.6° | 109.5° |
| C48 | C46 | H30 | 106.4° | 109.4° |
| C46 | C48 | H31 | 109.5° | 109.5° |
| C46 | C48 | H32 | 109.4° | 109.5° |
| C46 | C48 | H33 | 109.5° | 109.5° |
| C34 | C33 | C38 | 122.8° | 119.2° |
| C34 | C33 | C32 | 119.9° | 120.5° |
| C33 | C34 | H6 | 122.6° | 120.8° |
| O15 | C14 | N16 | 123.0° | 120.0° |
| C14 | N16 | C17 | 127.2° | 119.9° |
| C14 | N16 | H28 | 116.4° | 120.0° |
| N37 | C38 | C33 | 121.6° | 120.7° |
| N37 | C38 | H3 | 119.2° | 119.6° |
| C44 | C45 | C40 | 119.8° | 120.0° |
| C44 | C45 | H23 | 120.1° | 120.0° |
| C45 | C44 | H24 | 119.4° | 120.0° |
| N16 | C17 | C39 | 111.3° | 109.5° |
| N16 | C17 | C18 | 111.1° | 109.4° |
| N16 | C17 | H20 | 107.2° | 109.5° |
| C17 | N16 | H28 | 116.4° | 120.1° |
| C47 | C46 | H30 | 106.8° | 109.5° |
| C46 | C47 | H34 | 109.5° | 109.4° |
| C46 | C47 | H35 | 109.5° | 109.5° |
| C46 | C47 | H36 | 109.5° | 109.4° |
| C45 | C40 | C39 | 118.9° | 120.0° |
| C40 | C45 | H23 | 120.1° | 120.0° |
| C40 | C39 | C17 | 114.0° | 109.5° |
| C40 | C39 | H21 | 108.3° | 109.5° |
| C40 | C39 | H22 | 108.3° | 109.5° |
| C38 | C33 | C32 | 117.3° | 120.4° |
| C33 | C38 | H3 | 119.2° | 119.7° |
| C33 | C32 | O31 | 97.9° | 109.5° |
| C33 | C32 | H1 | 112.3° | 109.5° |
| C33 | C32 | H2 | 112.3° | 109.5° |
| C39 | C17 | C18 | 114.2° | 109.5° |
| C39 | C17 | H20 | 106.3° | 109.5° |
| C17 | C39 | H21 | 108.3° | 109.5° |
| C17 | C39 | H22 | 108.3° | 109.5° |
| C17 | C18 | C19 | 114.4° | 109.5° |
| C17 | C18 | H18 | 108.2° | 109.4° |
| C17 | C18 | H19 | 108.2° | 109.5° |
| C18 | C17 | H20 | 106.4° | 109.5° |
| C32 | O31 | C29 | 121.7° | 117.0° |
| O31 | C32 | H1 | 112.3° | 109.5° |
| O31 | C32 | H2 | 112.3° | 109.4° |
| O31 | C29 | N28 | 113.4° | 120.0° |
| O31 | C29 | O30 | 117.8° | 120.0° |
| C18 | C19 | C20 | 107.6° | 109.5° |
| C18 | C19 | H16 | 109.9° | 109.5° |
| C18 | C19 | H17 | 109.9° | 109.5° |
| C19 | C18 | H18 | 108.2° | 109.5° |
| C19 | C18 | H19 | 108.2° | 109.5° |
| C29 | N28 | C20 | 126.3° | 120.0° |
| N28 | C29 | O30 | 128.7° | 120.0° |
| C29 | N28 | H7 | 116.8° | 120.0° |
| N28 | C20 | C19 | 107.4° | 109.4° |
| N28 | C20 | C21 | 112.5° | 109.5° |
| C20 | N28 | H7 | 116.9° | 120.0° |
| N28 | C20 | H8 | 111.2° | 109.5° |
| C19 | C20 | C21 | 104.9° | 109.5° |
| C19 | C20 | H8 | 110.3° | 109.5° |
| C20 | C19 | H16 | 110.0° | 109.5° |
| C20 | C19 | H17 | 109.9° | 109.5° |
| C20 | C21 | C22 | 106.4° | 109.5° |
| C21 | C20 | H8 | 110.3° | 109.5° |
| C20 | C21 | H9 | 110.2° | 109.4° |
| C20 | C21 | H10 | 110.2° | 109.5° |
| C23 | C24 | C25 | 119.4° | 120.0° |
| C24 | C23 | C22 | 119.5° | 120.1° |
| C23 | C24 | H14 | 120.3° | 120.0° |
| C24 | C23 | H15 | 120.3° | 119.9° |
| C24 | C25 | C26 | 120.5° | 120.0° |
| C24 | C25 | H13 | 119.8° | 120.0° |
| C25 | C24 | H14 | 120.3° | 120.0° |
| C23 | C22 | C21 | 119.1° | 120.0° |
| C23 | C22 | C27 | 121.6° | 120.0° |
| C22 | C23 | H15 | 120.3° | 120.0° |
| C25 | C26 | C27 | 120.3° | 120.0° |
| C25 | C26 | H12 | 119.8° | 120.0° |
| C26 | C25 | H13 | 119.7° | 120.0° |
| C21 | C22 | C27 | 119.3° | 120.0° |
| C22 | C21 | H9 | 110.2° | 109.5° |
| C22 | C21 | H10 | 110.2° | 109.5° |
| C22 | C27 | C26 | 118.8° | 120.0° |
| C22 | C27 | H11 | 120.6° | 120.0° |
| C26 | C27 | H11 | 120.6° | 120.0° |
| C27 | C26 | H12 | 119.9° | 120.0° |
| H1 | C32 | H2 | 109.4° | 109.5° |
| H9 | C21 | H10 | 109.5° | 109.4° |
| H16 | C19 | H17 | 109.5° | 109.5° |
| H18 | C18 | H19 | 109.5° | 109.4° |
| H21 | C39 | H22 | 109.4° | 109.4° |
| H31 | C48 | H32 | 109.5° | 109.4° |
| H31 | C48 | H33 | 109.5° | 109.4° |
| H32 | C48 | H33 | 109.5° | 109.5° |
| H34 | C47 | H35 | 109.4° | 109.5° |
| H34 | C47 | H36 | 109.4° | 109.5° |
| H35 | C47 | H36 | 109.5° | 109.5° |
| H38 | C09 | H39 | 109.5° | 109.5° |
| H38 | C09 | H40 | 109.5° | 109.4° |
| H39 | C09 | H40 | 109.5° | 109.5° |
| H41 | C07 | H42 | 109.5° | 109.5° |
| H45 | C03 | H46 | 109.5° | 109.5° |
| H45 | C03 | H47 | 109.4° | 109.5° |
| H46 | C03 | H47 | 109.5° | 109.5° |
| H48 | C01 | H49 | 109.5° | 109.5° |
| H48 | C01 | H50 | 109.4° | 109.5° |
| H49 | C01 | H50 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N05 | C06 | C07 | C49 | 178.2° | 179.7° |
| N05 | C06 | C07 | N08 | 101.7° | 84.7° |
| C06 | N05 | C04 | C02 | 179.9° | 180.0° |
| C06 | N05 | C04 | S50 | 1.5° | 0.1° |
| N05 | C06 | C49 | S50 | 0.8° | 0.2° |
| N05 | C06 | C07 | H41 | 138.7° | 155.3° |
| N05 | C06 | C07 | H42 | 17.9° | 35.2° |
| N05 | C06 | C49 | H43 | 179.2° | 179.7° |
| C04 | N05 | C06 | C07 | 179.9° | 180.0° |
| N05 | C04 | C02 | C03 | 148.2° | 120.0° |
| N05 | C04 | C02 | S50 | 178.5° | 179.9° |
| N05 | C04 | C02 | C01 | 89.8° | 120.0° |
| C04 | N05 | C06 | C49 | 1.6° | 0.2° |
| N05 | C04 | S50 | C49 | 0.9° | 0.0° |
| N05 | C04 | C02 | H44 | 28.2° | 0.0° |
| C06 | C07 | N08 | H41 | 119.6° | 120.0° |
| C06 | C07 | N08 | H42 | 119.6° | 119.9° |
| C07 | C06 | C49 | S50 | 179.2° | 180.0° |
| C06 | C07 | N08 | C09 | 75.3° | 90.0° |
| C06 | C07 | N08 | C10 | 104.6° | 90.0° |
| C06 | C07 | H41 | H42 | 121.3° | 120.0° |
| C07 | C06 | C49 | H43 | 0.8° | 0.0° |
| N08 | C07 | C06 | C49 | 76.5° | 95.0° |
| C07 | N08 | C09 | C10 | 180.0° | 180.0° |
| C07 | N08 | C10 | O11 | 109.7° | 0.0° |
| C07 | N08 | C10 | N12 | 70.2° | 180.0° |
| C07 | N08 | C09 | H38 | 180.0° | 90.0° |
| C07 | N08 | C09 | H39 | 60.0° | 30.0° |
| C07 | N08 | C09 | H40 | 60.0° | 150.0° |
| N08 | C07 | H41 | H42 | 121.2° | 120.0° |
| C03 | C02 | C04 | C01 | 122.0° | 120.0° |
| C03 | C02 | C04 | H44 | 120.0° | 120.0° |
| C03 | C02 | C01 | H44 | 120.2° | 119.9° |
| C03 | C02 | C04 | S50 | 33.2° | 59.9° |
| C02 | C03 | H45 | H46 | 120.0° | 120.0° |
| C02 | C03 | H45 | H47 | 120.0° | 119.9° |
| C02 | C03 | H46 | H47 | 120.0° | 120.0° |
| C03 | C02 | C01 | H48 | 180.0° | 60.1° |
| C03 | C02 | C01 | H49 | 60.0° | 180.0° |
| C03 | C02 | C01 | H50 | 60.0° | 60.0° |
| C04 | C02 | C01 | H44 | 118.6° | 120.0° |
| C02 | C04 | S50 | C49 | 179.7° | 179.9° |
| C04 | C02 | C03 | H45 | 180.0° | 60.0° |
| C04 | C02 | C03 | H46 | 60.0° | 180.0° |
| C04 | C02 | C03 | H47 | 60.0° | 60.0° |
| C04 | C02 | C01 | H48 | 58.8° | 60.0° |
| C04 | C02 | C01 | H49 | 178.8° | 60.0° |
| C04 | C02 | C01 | H50 | 61.2° | 180.0° |
| C01 | C02 | C04 | S50 | 88.8° | 60.1° |
| C01 | C02 | C03 | H45 | 60.9° | 60.0° |
| C01 | C02 | C03 | H46 | 179.2° | 60.0° |
| C01 | C02 | C03 | H47 | 59.1° | 180.0° |
| C02 | C01 | H48 | H49 | 120.0° | 119.9° |
| C02 | C01 | H48 | H50 | 120.0° | 120.0° |
| C02 | C01 | H49 | H50 | 120.0° | 120.0° |
| C06 | C49 | S50 | C04 | 0.0° | 0.1° |
| C06 | C49 | S50 | H43 | 180.0° | 179.9° |
| C49 | C06 | C07 | H41 | 43.0° | 25.0° |
| C49 | C06 | C07 | H42 | 163.9° | 145.0° |
| C04 | S50 | C49 | H43 | 180.0° | 179.8° |
| S50 | C04 | C02 | H44 | 153.2° | 179.9° |
| C09 | N08 | C10 | O11 | 70.3° | 180.0° |
| C09 | N08 | C10 | N12 | 109.7° | 0.0° |
| N08 | C09 | H38 | H39 | 120.0° | 120.0° |
| N08 | C09 | H38 | H40 | 120.0° | 120.0° |
| N08 | C09 | H39 | H40 | 120.0° | 120.0° |
| C09 | N08 | C07 | H41 | 165.1° | 150.0° |
| C09 | N08 | C07 | H42 | 44.3° | 29.9° |
| N08 | C10 | O11 | N12 | 179.9° | 179.9° |
| N08 | C10 | N12 | C13 | 126.7° | 180.0° |
| N08 | C10 | N12 | H37 | 53.3° | 0.1° |
| C10 | N08 | C09 | H38 | 0.0° | 90.0° |
| C10 | N08 | C09 | H39 | 120.0° | 150.0° |
| C10 | N08 | C09 | H40 | 120.0° | 30.0° |
| C10 | N08 | C07 | H41 | 14.9° | 30.0° |
| C10 | N08 | C07 | H42 | 135.8° | 150.1° |
| O11 | C10 | N12 | C13 | 53.4° | 0.0° |
| O11 | C10 | N12 | H37 | 126.6° | 180.0° |
| C10 | N12 | C13 | H37 | 180.0° | 179.9° |
| C10 | N12 | C13 | C14 | 48.5° | 155.0° |
| C10 | N12 | C13 | C46 | 79.9° | 85.0° |
| C10 | N12 | C13 | H29 | 163.7° | 35.0° |
| N12 | C13 | C14 | C46 | 131.4° | 120.0° |
| N12 | C13 | C14 | H29 | 115.4° | 120.0° |
| N12 | C13 | C46 | H29 | 116.9° | 120.0° |
| N12 | C13 | C46 | C48 | 24.8° | 55.0° |
| N12 | C13 | C14 | O15 | 90.3° | 0.0° |
| N12 | C13 | C14 | N16 | 90.0° | 180.0° |
| N12 | C13 | C46 | C47 | 100.5° | 65.0° |
| N12 | C13 | C46 | H30 | 144.0° | 175.0° |
| C43 | C42 | C41 | H26 | 180.0° | 179.7° |
| C42 | C43 | C44 | H25 | 180.0° | 180.0° |
| C43 | C42 | C41 | C40 | 0.9° | 0.6° |
| C42 | C43 | C44 | C45 | 0.1° | 0.0° |
| C42 | C43 | C44 | H24 | 179.9° | 180.0° |
| C43 | C42 | C41 | H27 | 179.1° | 180.0° |
| C41 | C42 | C43 | C44 | 0.2° | 0.3° |
| C42 | C41 | C40 | H27 | 180.0° | 179.4° |
| C42 | C41 | C40 | C45 | 1.6° | 0.6° |
| C42 | C41 | C40 | C39 | 179.5° | 179.7° |
| C41 | C42 | C43 | H25 | 179.8° | 179.7° |
| C36 | C35 | C34 | H5 | 180.0° | 179.8° |
| C35 | C36 | N37 | H4 | 180.0° | 180.0° |
| C36 | C35 | C34 | C33 | 0.1° | 0.5° |
| C35 | C36 | N37 | C38 | 0.7° | 0.0° |
| C36 | C35 | C34 | H6 | 179.8° | 180.0° |
| C34 | C35 | C36 | N37 | 1.3° | 0.2° |
| C35 | C34 | C33 | H6 | 180.0° | 179.5° |
| C35 | C34 | C33 | C38 | 2.1° | 0.6° |
| C35 | C34 | C33 | C32 | 179.6° | 179.7° |
| C34 | C35 | C36 | H4 | 178.8° | 179.7° |
| C36 | N37 | C38 | C33 | 1.3° | 0.0° |
| C36 | N37 | C38 | H3 | 178.7° | 180.0° |
| N37 | C36 | C35 | H5 | 178.7° | 180.0° |
| C43 | C44 | C45 | H24 | 180.0° | 180.0° |
| C43 | C44 | C45 | C40 | 0.7° | NaN° |
| C43 | C44 | C45 | H23 | 179.3° | 180.0° |
| C44 | C43 | C42 | H26 | 179.8° | 180.0° |
| C14 | C13 | C46 | H29 | 113.3° | 120.0° |
| C14 | C13 | C46 | C48 | 105.0° | 65.0° |
| C13 | C14 | O15 | N16 | 179.7° | 180.0° |
| C13 | C14 | N16 | C17 | 90.0° | 180.0° |
| C14 | C13 | C46 | C47 | 129.7° | 175.0° |
| C13 | C14 | N16 | H28 | 90.0° | 0.0° |
| C14 | C13 | C46 | H30 | 14.2° | 55.0° |
| C14 | C13 | N12 | H37 | 131.5° | 24.9° |
| C13 | C46 | C48 | C47 | 126.1° | 120.0° |
| C13 | C46 | C48 | H30 | 119.2° | 120.0° |
| C46 | C13 | C14 | O15 | 138.3° | 120.0° |
| C46 | C13 | C14 | N16 | 41.5° | 60.0° |
| C13 | C46 | C47 | H30 | 115.3° | 120.1° |
| C13 | C46 | C48 | H31 | 180.0° | 60.0° |
| C13 | C46 | C48 | H32 | 60.0° | 180.0° |
| C13 | C46 | C48 | H33 | 60.0° | 60.0° |
| C13 | C46 | C47 | H34 | 180.0° | 60.0° |
| C13 | C46 | C47 | H35 | 60.0° | 180.0° |
| C13 | C46 | C47 | H36 | 60.0° | 60.0° |
| C46 | C13 | N12 | H37 | 100.1° | 95.0° |
| C41 | C40 | C45 | C44 | 1.4° | 0.3° |
| C41 | C40 | C45 | C39 | 179.0° | 179.7° |
| C41 | C40 | C39 | C17 | 31.4° | 90.3° |
| C41 | C40 | C39 | H21 | 152.1° | 149.7° |
| C41 | C40 | C39 | H22 | 89.3° | 29.7° |
| C41 | C40 | C45 | H23 | 178.6° | 179.7° |
| C40 | C41 | C42 | H26 | 179.1° | 179.7° |
| C48 | C46 | C47 | H30 | 114.4° | 119.9° |
| C48 | C46 | C13 | H29 | 141.7° | 175.0° |
| C46 | C48 | H31 | H32 | 120.0° | 120.1° |
| C46 | C48 | H31 | H33 | 120.0° | 120.0° |
| C46 | C48 | H32 | H33 | 120.0° | 120.1° |
| C48 | C46 | C47 | H34 | 49.7° | 180.0° |
| C48 | C46 | C47 | H35 | 70.3° | 60.0° |
| C48 | C46 | C47 | H36 | 169.7° | 60.0° |
| C34 | C33 | C38 | N37 | 2.8° | 0.3° |
| C34 | C33 | C38 | C32 | 177.6° | 179.7° |
| C34 | C33 | C32 | O31 | 63.5° | 90.3° |
| C34 | C33 | C32 | H1 | 54.6° | 149.7° |
| C34 | C33 | C32 | H2 | 178.4° | 29.7° |
| C34 | C33 | C38 | H3 | 177.2° | 179.7° |
| C33 | C34 | C35 | H5 | 179.9° | 179.7° |
| O15 | C14 | N16 | C17 | 89.8° | 0.0° |
| O15 | C14 | N16 | H28 | 90.3° | 180.0° |
| O15 | C14 | C13 | H29 | 25.2° | 120.0° |
| C14 | N16 | C17 | H28 | 180.0° | 180.0° |
| C14 | N16 | C17 | C39 | 141.1° | 85.0° |
| C14 | N16 | C17 | C18 | 12.8° | 155.0° |
| C14 | N16 | C17 | H20 | 103.0° | 35.0° |
| N16 | C14 | C13 | H29 | 154.6° | 60.0° |
| N37 | C38 | C33 | H3 | 180.0° | 179.9° |
| N37 | C38 | C33 | C32 | 179.6° | 180.0° |
| C38 | N37 | C36 | H4 | 179.4° | 180.0° |
| C44 | C45 | C40 | H23 | 180.0° | 180.0° |
| C44 | C45 | C40 | C39 | 179.6° | 180.0° |
| C45 | C44 | C43 | H25 | 179.9° | 180.0° |
| N16 | C17 | C39 | C40 | 2.9° | 65.0° |
| N16 | C17 | C39 | C18 | 126.7° | 120.0° |
| N16 | C17 | C39 | H20 | 116.4° | 120.0° |
| N16 | C17 | C18 | H20 | 116.3° | 120.0° |
| N16 | C17 | C18 | C19 | 129.0° | 65.0° |
| N16 | C17 | C18 | H18 | 110.2° | 175.0° |
| N16 | C17 | C18 | H19 | 8.3° | 55.0° |
| N16 | C17 | C39 | H21 | 123.6° | 175.0° |
| N16 | C17 | C39 | H22 | 117.8° | 55.0° |
| C47 | C46 | C13 | H29 | 16.4° | 55.0° |
| C47 | C46 | C48 | H31 | 53.9° | 60.0° |
| C47 | C46 | C48 | H32 | 173.9° | 60.0° |
| C47 | C46 | C48 | H33 | 66.1° | 180.0° |
| C46 | C47 | H34 | H35 | 120.0° | 120.0° |
| C46 | C47 | H34 | H36 | 120.0° | 120.0° |
| C46 | C47 | H35 | H36 | 120.0° | 120.0° |
| C45 | C40 | C39 | C17 | 149.7° | 90.0° |
| C45 | C40 | C39 | H21 | 29.0° | 30.0° |
| C45 | C40 | C39 | H22 | 89.7° | 150.0° |
| C40 | C45 | C44 | H24 | 179.3° | 180.0° |
| C45 | C40 | C41 | H27 | 178.5° | 180.0° |
| C40 | C39 | C17 | H21 | 120.7° | 120.0° |
| C40 | C39 | C17 | H22 | 120.7° | 120.1° |
| C40 | C39 | C17 | C18 | 123.7° | 175.0° |
| C40 | C39 | C17 | H20 | 119.3° | 55.0° |
| C40 | C39 | H21 | H22 | 117.9° | 120.0° |
| C39 | C40 | C45 | H23 | 0.4° | 0.0° |
| C39 | C40 | C41 | H27 | 0.5° | 0.3° |
| C38 | C33 | C32 | O31 | 114.2° | 90.1° |
| C38 | C33 | C32 | H1 | 127.8° | 30.0° |
| C38 | C33 | C32 | H2 | 3.9° | 150.0° |
| C38 | C33 | C34 | H6 | 177.9° | 180.0° |
| C33 | C32 | O31 | H1 | 118.1° | 120.1° |
| C33 | C32 | O31 | H2 | 118.1° | 120.0° |
| C33 | C32 | O31 | C29 | 162.9° | 180.0° |
| C33 | C32 | H1 | H2 | 125.4° | 120.1° |
| C32 | C33 | C38 | H3 | 0.4° | 0.1° |
| C32 | C33 | C34 | H6 | 0.4° | 0.3° |
| C39 | C17 | C18 | H20 | 116.9° | 120.0° |
| C39 | C17 | C18 | C19 | 2.3° | 175.0° |
| C39 | C17 | C18 | H18 | 123.0° | 55.0° |
| C39 | C17 | C18 | H19 | 118.5° | 65.0° |
| C17 | C39 | H21 | H22 | 117.9° | 120.0° |
| C39 | C17 | N16 | H28 | 38.9° | 95.0° |
| C17 | C18 | C19 | H18 | 120.7° | 120.0° |
| C17 | C18 | C19 | H19 | 120.7° | 120.1° |
| C17 | C18 | C19 | C20 | 102.1° | 180.0° |
| C17 | C18 | C19 | H16 | 17.6° | 60.0° |
| C17 | C18 | C19 | H17 | 138.2° | 60.0° |
| C17 | C18 | H18 | H19 | 117.7° | 120.0° |
| C18 | C17 | C39 | H21 | 3.0° | 55.0° |
| C18 | C17 | C39 | H22 | 115.6° | 64.9° |
| C18 | C17 | N16 | H28 | 167.2° | 25.0° |
| C32 | O31 | C29 | N28 | 154.0° | 179.8° |
| C32 | O31 | C29 | O30 | 27.9° | 0.0° |
| O31 | C32 | H1 | H2 | 125.4° | 119.9° |
| O31 | C29 | N28 | O30 | 177.9° | 179.7° |
| O31 | C29 | N28 | C20 | 140.8° | 179.7° |
| C29 | O31 | C32 | H1 | 79.0° | 59.9° |
| C29 | O31 | C32 | H2 | 44.9° | 60.0° |
| O31 | C29 | N28 | H7 | 39.2° | 0.3° |
| C18 | C19 | C20 | N28 | 89.4° | 65.0° |
| C18 | C19 | C20 | H16 | 119.7° | 120.0° |
| C18 | C19 | C20 | H17 | 119.7° | 120.0° |
| C18 | C19 | C20 | C21 | 150.7° | 175.0° |
| C18 | C19 | C20 | H8 | 32.0° | 54.9° |
| C18 | C19 | H16 | H17 | 120.9° | 120.0° |
| C19 | C18 | H18 | H19 | 117.8° | 120.0° |
| C19 | C18 | C17 | H20 | 114.6° | 55.0° |
| C29 | N28 | C20 | H7 | 180.0° | 180.0° |
| C29 | N28 | C20 | C19 | 124.4° | 155.0° |
| C29 | N28 | C20 | C21 | 9.5° | 85.0° |
| C29 | N28 | C20 | H8 | 114.8° | 35.0° |
| C20 | N28 | C29 | O30 | 41.3° | 0.0° |
| N28 | C20 | C19 | C21 | 119.9° | 120.0° |
| N28 | C20 | C19 | H8 | 121.4° | 120.0° |
| N28 | C20 | C21 | H8 | 124.8° | 120.0° |
| N28 | C20 | C21 | C22 | 110.3° | 65.0° |
| N28 | C20 | C21 | H9 | 9.2° | 55.0° |
| N28 | C20 | C21 | H10 | 130.2° | 174.9° |
| N28 | C20 | C19 | H16 | 30.3° | 175.0° |
| N28 | C20 | C19 | H17 | 150.9° | 55.0° |
| O30 | C29 | N28 | H7 | 138.7° | 180.0° |
| C19 | C20 | C21 | H8 | 118.8° | 120.0° |
| C19 | C20 | C21 | C22 | 133.3° | 175.0° |
| C19 | C20 | N28 | H7 | 55.6° | 25.0° |
| C19 | C20 | C21 | H9 | 107.2° | 64.9° |
| C19 | C20 | C21 | H10 | 13.8° | 55.0° |
| C20 | C19 | H16 | H17 | 120.9° | 120.0° |
| C20 | C19 | C18 | H18 | 137.2° | 60.0° |
| C20 | C19 | C18 | H19 | 18.6° | 59.9° |
| C20 | C21 | C22 | C23 | 13.5° | 90.3° |
| C20 | C21 | C22 | H9 | 119.5° | 120.0° |
| C20 | C21 | C22 | H10 | 119.5° | 120.0° |
| C20 | C21 | C22 | C27 | 166.3° | 90.0° |
| C21 | C20 | N28 | H7 | 170.5° | 95.0° |
| C20 | C21 | H9 | H10 | 121.4° | 119.9° |
| C21 | C20 | C19 | H16 | 89.5° | 55.0° |
| C21 | C20 | C19 | H17 | 31.0° | 65.0° |
| C23 | C24 | C25 | H14 | 180.0° | 179.3° |
| C24 | C23 | C22 | H15 | 180.0° | 179.4° |
| C23 | C24 | C25 | C26 | 0.2° | 0.3° |
| C24 | C23 | C22 | C21 | 179.9° | 179.6° |
| C24 | C23 | C22 | C27 | 0.1° | 0.6° |
| C23 | C24 | C25 | H13 | 179.8° | 179.7° |
| C25 | C24 | C23 | C22 | 0.1° | 0.6° |
| C24 | C25 | C26 | H13 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.3° | 0.0° |
| C24 | C25 | C26 | H12 | 179.7° | 180.0° |
| C25 | C24 | C23 | H15 | 179.8° | 180.0° |
| C23 | C22 | C21 | C27 | 179.8° | 179.8° |
| C23 | C22 | C27 | C26 | 0.2° | 0.3° |
| C23 | C22 | C21 | H9 | 106.0° | 149.8° |
| C23 | C22 | C21 | H10 | 133.0° | 29.8° |
| C23 | C22 | C27 | H11 | 179.8° | 179.7° |
| C22 | C23 | C24 | H14 | 179.9° | 179.9° |
| C25 | C26 | C27 | C22 | 0.3° | 0.0° |
| C25 | C26 | C27 | H12 | 180.0° | 180.0° |
| C25 | C26 | C27 | H11 | 179.7° | 180.0° |
| C26 | C25 | C24 | H14 | 179.8° | 179.6° |
| C21 | C22 | C27 | C26 | 180.0° | 180.0° |
| C22 | C21 | C20 | H8 | 14.5° | 55.0° |
| C22 | C21 | H9 | H10 | 121.4° | 120.1° |
| C21 | C22 | C27 | H11 | 0.0° | 0.0° |
| C21 | C22 | C23 | H15 | 0.1° | 0.3° |
| C22 | C27 | C26 | H11 | 180.0° | 180.0° |
| C27 | C22 | C21 | H9 | 74.3° | 30.0° |
| C27 | C22 | C21 | H10 | 46.7° | 150.0° |
| C22 | C27 | C26 | H12 | 179.7° | 180.0° |
| C27 | C22 | C23 | H15 | 179.8° | 180.0° |
| C27 | C26 | C25 | H13 | 179.7° | 180.0° |
| H4 | C36 | C35 | H5 | 1.3° | 0.1° |
| H5 | C35 | C34 | H6 | 0.2° | 0.2° |
| H7 | N28 | C20 | H8 | 65.2° | 145.0° |
| H8 | C20 | C21 | H9 | 134.0° | 175.0° |
| H8 | C20 | C21 | H10 | 105.0° | 65.1° |
| H8 | C20 | C19 | H16 | 151.7° | 65.1° |
| H8 | C20 | C19 | H17 | 87.7° | 175.0° |
| H11 | C27 | C26 | H12 | 0.3° | 0.0° |
| H12 | C26 | C25 | H13 | 0.3° | 0.0° |
| H13 | C25 | C24 | H14 | 0.2° | 0.4° |
| H14 | C24 | C23 | H15 | 0.2° | 0.7° |
| H16 | C19 | C18 | H18 | 103.1° | 180.0° |
| H16 | C19 | C18 | H19 | 138.3° | 60.1° |
| H17 | C19 | C18 | H18 | 17.5° | 60.0° |
| H17 | C19 | C18 | H19 | 101.1° | 180.0° |
| H18 | C18 | C17 | H20 | 6.1° | 65.0° |
| H19 | C18 | C17 | H20 | 124.6° | 175.0° |
| H20 | C17 | C39 | H21 | 120.0° | 65.0° |
| H20 | C17 | C39 | H22 | 1.4° | 175.1° |
| H20 | C17 | N16 | H28 | 77.0° | 145.0° |
| H23 | C45 | C44 | H24 | 0.7° | 0.0° |
| H24 | C44 | C43 | H25 | 0.1° | 0.0° |
| H25 | C43 | C42 | H26 | 0.1° | 0.0° |
| H26 | C42 | C41 | H27 | 0.9° | 0.3° |
| H29 | C13 | C46 | H30 | 99.1° | 65.0° |
| H29 | C13 | N12 | H37 | 16.3° | 144.9° |
| H30 | C46 | C48 | H31 | 60.7° | 180.0° |
| H30 | C46 | C48 | H32 | 59.3° | 60.0° |
| H30 | C46 | C48 | H33 | 179.2° | 60.0° |
| H30 | C46 | C47 | H34 | 64.7° | 60.1° |
| H30 | C46 | C47 | H35 | 175.3° | 59.9° |
| H30 | C46 | C47 | H36 | 55.3° | 180.0° |
| H31 | C48 | H32 | H33 | 120.0° | 119.9° |
| H34 | C47 | H35 | H36 | 119.9° | 120.0° |
| H38 | C09 | H39 | H40 | 120.0° | 120.0° |
| H44 | C02 | C03 | H45 | 59.4° | 180.0° |
| H44 | C02 | C03 | H46 | 60.6° | 60.0° |
| H44 | C02 | C03 | H47 | 179.4° | 60.0° |
| H44 | C02 | C01 | H48 | 59.8° | 180.0° |
| H44 | C02 | C01 | H49 | 60.2° | 60.0° |
| H44 | C02 | C01 | H50 | 179.8° | 60.0° |
| H45 | C03 | H46 | H47 | 120.0° | 120.0° |
| H48 | C01 | H49 | H50 | 120.0° | 120.0° |
