0UE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C18 | sing | 1.54Å | 1.53Å | |
| C19 | N21 | sing | 1.47Å | 1.45Å | |
| C18 | C17 | sing | 1.53Å | 1.51Å | |
| C23 | C22 | sing | 1.52Å | 1.53Å | |
| C23 | C24 | sing | 1.52Å | 1.52Å | |
| N21 | O21 | sing | 1.31Å | 1.37Å | |
| N21 | C21 | sing | 1.35Å | 1.31Å | |
| C17 | C16 | sing | 1.53Å | 1.51Å | |
| C16 | C15 | sing | 1.54Å | 1.52Å | |
| C15 | N12 | sing | 1.46Å | 1.46Å | |
| C22 | C21 | sing | 1.52Å | 1.49Å | |
| C43 | C42 | sing | 1.52Å | 1.51Å | |
| C43 | N44 | sing | 1.47Å | 1.48Å | |
| O21 | FE | sing | 2.10Å | 1.97Å | |
| C42 | C41 | sing | 1.54Å | 1.52Å | |
| C21 | O22 | doub | 1.21Å | 1.28Å | |
| C24 | N22 | sing | 1.35Å | 1.34Å | |
| C24 | O23 | doub | 1.24Å | 1.23Å | |
| N22 | C25 | sing | 1.46Å | 1.46Å | |
| N12 | C14 | sing | 1.35Å | 1.31Å | |
| O32 | C31 | doub | 1.23Å | 1.27Å | |
| O32 | FE | sing | 2.05Å | 2.03Å | |
| C32 | C31 | sing | 1.52Å | 1.50Å | |
| C40 | C41 | sing | 1.54Å | 1.53Å | |
| C40 | C39 | sing | 1.55Å | 1.51Å | |
| O22 | FE | sing | 2.11Å | 2.03Å | |
| C25 | C26 | sing | 1.54Å | 1.50Å | |
| C31 | N31 | sing | 1.35Å | 1.33Å | |
| FE | O11 | sing | 2.13Å | 1.98Å | |
| FE | O12 | sing | 2.10Å | 2.04Å | |
| FE | O31 | sing | 2.09Å | 1.98Å | |
| C14 | O13 | doub | 1.24Å | 1.25Å | |
| C14 | C13 | sing | 1.52Å | 1.52Å | |
| O11 | N11 | sing | 1.31Å | 1.38Å | |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| C39 | N11 | sing | 1.47Å | 1.47Å | |
| N11 | C11 | sing | 1.36Å | 1.32Å | |
| O12 | C11 | doub | 1.22Å | 1.30Å | |
| N31 | O31 | sing | 1.31Å | 1.37Å | |
| N31 | C29 | sing | 1.47Å | 1.47Å | |
| C13 | C12 | sing | 1.51Å | 1.53Å | |
| C11 | C12 | sing | 1.52Å | 1.50Å | |
| C27 | C28 | sing | 1.53Å | 1.47Å | |
| C29 | C28 | sing | 1.55Å | 1.56Å | |
| C12 | H2 | sing | 0.98Å | 1.10Å | |
| C12 | H3 | sing | 0.97Å | 1.10Å | |
| C13 | H4 | sing | 0.98Å | 1.10Å | |
| C13 | H5 | sing | 0.98Å | 1.10Å | |
| N12 | H6 | sing | 0.88Å | 1.00Å | |
| C15 | H7 | sing | 0.98Å | 1.10Å | |
| C15 | H8 | sing | 0.98Å | 1.10Å | |
| C16 | H9 | sing | 0.98Å | 1.10Å | |
| C16 | H10 | sing | 0.98Å | 1.10Å | |
| C18 | H11 | sing | 0.97Å | 1.10Å | |
| C18 | H12 | sing | 0.98Å | 1.10Å | |
| C17 | H13 | sing | 0.98Å | 1.10Å | |
| C17 | H14 | sing | 0.98Å | 1.10Å | |
| C19 | H15 | sing | 0.96Å | 1.10Å | |
| C19 | H16 | sing | 0.97Å | 1.10Å | |
| C22 | H18 | sing | 0.98Å | 1.10Å | |
| C22 | H19 | sing | 0.98Å | 1.10Å | |
| C23 | H20 | sing | 0.98Å | 1.10Å | |
| C23 | H21 | sing | 0.98Å | 1.10Å | |
| N22 | H22 | sing | 0.87Å | 1.00Å | |
| C25 | H23 | sing | 0.98Å | 1.10Å | |
| C25 | H24 | sing | 0.98Å | 1.10Å | |
| C26 | H25 | sing | 0.98Å | 1.10Å | |
| C26 | H26 | sing | 0.98Å | 1.10Å | |
| C27 | H27 | sing | 0.98Å | 1.10Å | |
| C27 | H28 | sing | 0.98Å | 1.10Å | |
| C28 | H29 | sing | 0.98Å | 1.10Å | |
| C28 | H30 | sing | 0.98Å | 1.10Å | |
| C29 | H31 | sing | 0.96Å | 1.10Å | |
| C29 | H32 | sing | 0.97Å | 1.10Å | |
| C32 | H34 | sing | 0.97Å | 1.10Å | |
| C32 | H35 | sing | 0.97Å | 1.10Å | |
| C32 | H36 | sing | 0.97Å | 1.10Å | |
| C39 | H37 | sing | 0.97Å | 1.10Å | |
| C39 | H38 | sing | 0.97Å | 1.10Å | |
| C40 | H39 | sing | 0.98Å | 1.10Å | |
| C40 | H40 | sing | 0.98Å | 1.10Å | |
| C41 | H41 | sing | 0.98Å | 1.10Å | |
| C41 | H42 | sing | 0.98Å | 1.10Å | |
| C42 | H43 | sing | 0.98Å | 1.10Å | |
| C42 | H44 | sing | 0.98Å | 1.10Å | |
| C43 | H45 | sing | 0.98Å | 1.10Å | |
| C43 | H46 | sing | 0.98Å | 1.10Å | |
| N44 | H47 | sing | 0.88Å | 1.00Å | |
| N44 | H48 | sing | 0.88Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C19 | N21 | 111.7° | 112.5° |
| C19 | C18 | C17 | 113.4° | 116.3° |
| C19 | C18 | H11 | 108.5° | 107.7° |
| C19 | C18 | H12 | 108.5° | 108.1° |
| C18 | C19 | H15 | 108.9° | 108.9° |
| C18 | C19 | H16 | 108.9° | 108.3° |
| C19 | N21 | O21 | 113.2° | 108.9° |
| C19 | N21 | C21 | 130.3° | 131.8° |
| N21 | C19 | H15 | 108.9° | 110.4° |
| N21 | C19 | H16 | 108.9° | 109.2° |
| C18 | C17 | C16 | 114.0° | 117.7° |
| C17 | C18 | H11 | 108.5° | 108.9° |
| C17 | C18 | H12 | 108.5° | 108.3° |
| C18 | C17 | H13 | 108.3° | 107.7° |
| C18 | C17 | H14 | 108.3° | 108.7° |
| C22 | C23 | C24 | 112.2° | 116.6° |
| C23 | C22 | C21 | 112.3° | 113.6° |
| C23 | C22 | H18 | 108.8° | 108.6° |
| C23 | C22 | H19 | 108.7° | 108.8° |
| C22 | C23 | H20 | 108.8° | 108.6° |
| C22 | C23 | H21 | 108.8° | 108.0° |
| C23 | C24 | N22 | 116.2° | 118.3° |
| C23 | C24 | O23 | 120.6° | 120.0° |
| C24 | C23 | H20 | 108.7° | 108.1° |
| C24 | C23 | H21 | 108.8° | 108.2° |
| O21 | N21 | C21 | 116.5° | 119.2° |
| N21 | O21 | FE | 112.9° | 105.6° |
| N21 | C21 | C22 | 122.2° | 122.5° |
| N21 | C21 | O22 | 118.7° | 118.1° |
| C17 | C16 | C15 | 115.3° | 116.9° |
| C17 | C16 | H9 | 108.0° | 107.8° |
| C17 | C16 | H10 | 108.0° | 108.7° |
| C16 | C17 | H13 | 108.3° | 108.2° |
| C16 | C17 | H14 | 108.3° | 107.9° |
| C16 | C15 | N12 | 112.0° | 112.5° |
| C16 | C15 | H7 | 108.8° | 109.7° |
| C16 | C15 | H8 | 108.8° | 108.9° |
| C15 | C16 | H9 | 108.0° | 108.2° |
| C15 | C16 | H10 | 108.0° | 108.4° |
| C15 | N12 | C14 | 123.5° | 127.6° |
| C15 | N12 | H6 | 118.2° | 114.3° |
| N12 | C15 | H7 | 108.8° | 108.9° |
| N12 | C15 | H8 | 108.8° | 109.1° |
| C22 | C21 | O22 | 119.0° | 119.4° |
| C21 | C22 | H18 | 108.7° | 108.4° |
| C21 | C22 | H19 | 108.7° | 110.2° |
| C42 | C43 | N44 | 112.2° | 114.4° |
| C43 | C42 | C41 | 110.4° | 115.0° |
| C43 | C42 | H43 | 109.2° | 108.3° |
| C43 | C42 | H44 | 109.2° | 108.3° |
| C42 | C43 | H45 | 108.8° | 109.1° |
| C42 | C43 | H46 | 108.8° | 110.1° |
| N44 | C43 | H45 | 108.8° | 108.1° |
| N44 | C43 | H46 | 108.8° | 107.4° |
| C43 | N44 | H47 | 109.5° | 109.1° |
| C43 | N44 | H48 | 109.4° | 110.0° |
| O21 | FE | O32 | 93.2° | 106.2° |
| O21 | FE | O22 | 78.8° | 77.0° |
| O21 | FE | O11 | 92.1° | 97.9° |
| O21 | FE | O12 | 95.9° | 79.5° |
| O21 | FE | O31 | 162.3° | 162.7° |
| C42 | C41 | C40 | 114.1° | 118.4° |
| C42 | C41 | H41 | 108.3° | 108.7° |
| C42 | C41 | H42 | 108.3° | 107.3° |
| C41 | C42 | H43 | 109.2° | 108.2° |
| C41 | C42 | H44 | 109.2° | 109.8° |
| C21 | O22 | FE | 113.1° | 112.2° |
| N22 | C24 | O23 | 123.1° | 121.6° |
| C24 | N22 | C25 | 124.4° | 129.3° |
| C24 | N22 | H22 | 117.8° | 117.6° |
| N22 | C25 | C26 | 115.3° | 112.9° |
| C25 | N22 | H22 | 117.8° | 113.1° |
| N22 | C25 | H23 | 108.0° | 109.3° |
| N22 | C25 | H24 | 108.0° | 108.8° |
| N12 | C14 | O13 | 125.1° | 121.9° |
| N12 | C14 | C13 | 115.1° | 117.8° |
| C14 | N12 | H6 | 118.3° | 118.1° |
| C31 | O32 | FE | 113.1° | 111.4° |
| O32 | C31 | C32 | 120.0° | 119.3° |
| O32 | C31 | N31 | 119.0° | 119.1° |
| O32 | FE | O22 | 100.3° | 82.1° |
| O32 | FE | O11 | 91.3° | 93.5° |
| O32 | FE | O12 | 166.1° | 167.9° |
| O32 | FE | O31 | 79.3° | 78.0° |
| C32 | C31 | N31 | 121.0° | 121.6° |
| C31 | C32 | H34 | 109.5° | 109.5° |
| C31 | C32 | H35 | 109.5° | 109.5° |
| C31 | C32 | H36 | 109.5° | 109.6° |
| C41 | C40 | C39 | 114.4° | 116.1° |
| C41 | C40 | H39 | 108.2° | 107.9° |
| C41 | C40 | H40 | 108.2° | 109.6° |
| C40 | C41 | H41 | 108.3° | 108.7° |
| C40 | C41 | H42 | 108.3° | 107.4° |
| C40 | C39 | N11 | 110.6° | 114.3° |
| C40 | C39 | H37 | 109.2° | 109.3° |
| C40 | C39 | H38 | 109.2° | 107.9° |
| C39 | C40 | H39 | 108.2° | 107.9° |
| C39 | C40 | H40 | 108.2° | 108.3° |
| O22 | FE | O11 | 165.5° | 172.0° |
| O22 | FE | O12 | 91.8° | 109.7° |
| O22 | FE | O31 | 86.8° | 87.2° |
| C25 | C26 | C27 | 118.1° | 116.9° |
| C26 | C25 | H23 | 108.0° | 108.7° |
| C26 | C25 | H24 | 108.0° | 109.4° |
| C25 | C26 | H25 | 107.3° | 108.4° |
| C25 | C26 | H26 | 107.3° | 108.2° |
| C31 | N31 | O31 | 116.5° | 119.7° |
| C31 | N31 | C29 | 128.0° | 130.7° |
| O11 | FE | O12 | 77.8° | 75.0° |
| O11 | FE | O31 | 104.0° | 98.5° |
| FE | O11 | N11 | 112.8° | 105.2° |
| O12 | FE | O31 | 94.7° | 99.7° |
| FE | O12 | C11 | 113.6° | 110.7° |
| FE | O31 | N31 | 112.1° | 105.8° |
| O13 | C14 | C13 | 119.7° | 120.2° |
| C14 | C13 | C12 | 116.1° | 114.6° |
| C14 | C13 | H4 | 107.8° | 108.6° |
| C14 | C13 | H5 | 107.8° | 108.7° |
| O11 | N11 | C39 | 110.9° | 108.7° |
| O11 | N11 | C11 | 116.7° | 119.4° |
| C26 | C27 | C28 | 113.6° | 116.8° |
| C27 | C26 | H25 | 107.3° | 108.8° |
| C27 | C26 | H26 | 107.3° | 107.7° |
| C26 | C27 | H27 | 108.4° | 108.0° |
| C26 | C27 | H28 | 108.5° | 108.4° |
| C39 | N11 | C11 | 132.4° | 131.8° |
| N11 | C39 | H37 | 109.2° | 108.8° |
| N11 | C39 | H38 | 109.2° | 109.1° |
| N11 | C11 | O12 | 117.0° | 118.1° |
| N11 | C11 | C12 | 126.2° | 121.6° |
| O12 | C11 | C12 | 116.8° | 120.3° |
| O31 | N31 | C29 | 115.6° | 109.6° |
| N31 | C29 | C28 | 110.8° | 113.9° |
| N31 | C29 | H31 | 109.2° | 109.7° |
| N31 | C29 | H32 | 109.1° | 108.8° |
| C13 | C12 | C11 | 117.9° | 115.1° |
| C13 | C12 | H2 | 107.3° | 108.2° |
| C13 | C12 | H3 | 107.3° | 108.2° |
| C12 | C13 | H4 | 107.8° | 108.6° |
| C12 | C13 | H5 | 107.8° | 108.6° |
| C11 | C12 | H2 | 107.3° | 108.6° |
| C11 | C12 | H3 | 107.3° | 109.8° |
| C27 | C28 | C29 | 115.8° | 116.0° |
| C28 | C27 | H27 | 108.4° | 108.0° |
| C28 | C27 | H28 | 108.4° | 108.7° |
| C27 | C28 | H29 | 107.9° | 109.2° |
| C27 | C28 | H30 | 107.9° | 108.2° |
| C29 | C28 | H29 | 107.8° | 108.2° |
| C29 | C28 | H30 | 107.9° | 108.0° |
| C28 | C29 | H31 | 109.1° | 109.0° |
| C28 | C29 | H32 | 109.1° | 108.0° |
| H2 | C12 | H3 | 109.5° | 106.6° |
| H4 | C13 | H5 | 109.5° | 107.5° |
| H7 | C15 | H8 | 109.5° | 107.6° |
| H9 | C16 | H10 | 109.5° | 106.5° |
| H11 | C18 | H12 | 109.5° | 107.2° |
| H13 | C17 | H14 | 109.5° | 106.0° |
| H15 | C19 | H16 | 109.5° | 107.4° |
| H18 | C22 | H19 | 109.5° | 107.0° |
| H20 | C23 | H21 | 109.5° | 107.0° |
| H23 | C25 | H24 | 109.5° | 107.6° |
| H25 | C26 | H26 | 109.5° | 106.4° |
| H27 | C27 | H28 | 109.5° | 106.5° |
| H29 | C28 | H30 | 109.4° | 107.0° |
| H31 | C29 | H32 | 109.5° | 107.2° |
| H34 | C32 | H35 | 109.4° | 109.2° |
| H34 | C32 | H36 | 109.5° | 109.4° |
| H35 | C32 | H36 | 109.5° | 109.6° |
| H37 | C39 | H38 | 109.5° | 107.2° |
| H39 | C40 | H40 | 109.5° | 106.7° |
| H41 | C41 | H42 | 109.5° | 105.6° |
| H43 | C42 | H44 | 109.5° | 107.0° |
| H45 | C43 | H46 | 109.5° | 107.5° |
| H47 | N44 | H48 | 109.5° | 107.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C19 | N21 | H15 | 120.3° | 121.9° |
| C18 | C19 | N21 | H16 | 120.3° | 120.3° |
| C19 | C18 | C17 | H11 | 120.6° | 121.8° |
| C19 | C18 | C17 | H12 | 120.6° | 122.0° |
| C18 | C19 | N21 | O21 | 70.8° | 86.6° |
| C18 | C19 | N21 | C21 | 109.2° | 96.0° |
| C19 | C18 | C17 | C16 | 173.8° | 110.4° |
| C19 | C18 | H11 | H12 | 118.2° | 116.1° |
| C19 | C18 | C17 | H13 | 53.2° | 127.0° |
| C19 | C18 | C17 | H14 | 65.5° | 12.6° |
| C18 | C19 | H15 | H16 | 119.0° | 117.1° |
| N21 | C19 | C18 | C17 | 37.9° | 75.8° |
| C19 | N21 | O21 | C21 | 180.0° | 177.8° |
| C19 | N21 | C21 | C22 | 0.1° | 22.3° |
| C19 | N21 | O21 | FE | 178.2° | 150.4° |
| C19 | N21 | C21 | O22 | 179.9° | 155.1° |
| N21 | C19 | C18 | H11 | 82.7° | 46.6° |
| N21 | C19 | C18 | H12 | 158.5° | 162.1° |
| N21 | C19 | H15 | H16 | 119.0° | 119.0° |
| C18 | C17 | C16 | H13 | 120.7° | 122.3° |
| C18 | C17 | C16 | H14 | 120.7° | 123.4° |
| C18 | C17 | C16 | C15 | 62.4° | 86.4° |
| C18 | C17 | C16 | H9 | 58.5° | 151.6° |
| C18 | C17 | C16 | H10 | 176.8° | 36.7° |
| C17 | C18 | H11 | H12 | 118.2° | 117.0° |
| C18 | C17 | H13 | H14 | 118.0° | 116.3° |
| C17 | C18 | C19 | H15 | 82.4° | 46.9° |
| C17 | C18 | C19 | H16 | 158.2° | 163.4° |
| C22 | C23 | C24 | H20 | 120.4° | 122.6° |
| C22 | C23 | C24 | H21 | 120.4° | 121.9° |
| C23 | C22 | C21 | N21 | 103.6° | 111.3° |
| C23 | C22 | C21 | H18 | 120.4° | 120.8° |
| C23 | C22 | C21 | H19 | 120.4° | 122.4° |
| C23 | C22 | C21 | O22 | 76.4° | 66.1° |
| C22 | C23 | C24 | N22 | 119.6° | 57.6° |
| C22 | C23 | C24 | O23 | 60.7° | 121.6° |
| C23 | C22 | H18 | H19 | 118.7° | 117.3° |
| C22 | C23 | H20 | H21 | 118.7° | 116.3° |
| C24 | C23 | C22 | C21 | 80.0° | 117.0° |
| C23 | C24 | N22 | O23 | 179.7° | 179.2° |
| C23 | C24 | N22 | C25 | 179.5° | 166.4° |
| C24 | C23 | C22 | H18 | 159.6° | 3.7° |
| C24 | C23 | C22 | H19 | 40.4° | 119.9° |
| C24 | C23 | H20 | H21 | 118.8° | 116.3° |
| C23 | C24 | N22 | H22 | 0.5° | 17.7° |
| O21 | N21 | C21 | C22 | 179.9° | 154.9° |
| O21 | N21 | C21 | O22 | 0.1° | 27.7° |
| N21 | O21 | FE | O32 | 97.8° | 97.7° |
| N21 | O21 | FE | O22 | 2.1° | 20.1° |
| N21 | O21 | FE | O11 | 170.7° | 166.2° |
| N21 | O21 | FE | O12 | 92.7° | 93.2° |
| N21 | O21 | FE | O31 | 33.8° | 4.3° |
| O21 | N21 | C19 | H15 | 168.8° | 151.6° |
| O21 | N21 | C19 | H16 | 49.5° | 33.7° |
| N21 | C21 | C22 | O22 | 180.0° | 177.4° |
| C21 | N21 | O21 | FE | 1.8° | 31.8° |
| N21 | C21 | O22 | FE | 1.9° | 6.1° |
| C21 | N21 | C19 | H15 | 11.2° | 25.9° |
| C21 | N21 | C19 | H16 | 130.5° | 143.7° |
| N21 | C21 | C22 | H18 | 16.9° | 127.9° |
| N21 | C21 | C22 | H19 | 136.0° | 11.1° |
| C17 | C16 | C15 | H9 | 120.9° | 121.8° |
| C17 | C16 | C15 | H10 | 120.8° | 123.2° |
| C17 | C16 | C15 | N12 | 53.0° | 78.0° |
| C17 | C16 | C15 | H7 | 67.4° | 43.4° |
| C17 | C16 | C15 | H8 | 173.3° | 160.9° |
| C17 | C16 | H9 | H10 | 117.3° | 116.4° |
| C16 | C17 | C18 | H11 | 65.5° | 11.4° |
| C16 | C17 | C18 | H12 | 53.3° | 127.6° |
| C16 | C17 | H13 | H14 | 117.9° | 115.5° |
| C16 | C15 | N12 | H7 | 120.4° | 121.8° |
| C16 | C15 | N12 | H8 | 120.4° | 121.0° |
| C16 | C15 | N12 | C14 | 84.2° | 86.4° |
| C16 | C15 | N12 | H6 | 95.8° | 96.0° |
| C16 | C15 | H7 | H8 | 118.8° | 118.3° |
| C15 | C16 | H9 | H10 | 117.3° | 116.3° |
| C15 | C16 | C17 | H13 | 176.9° | 36.0° |
| C15 | C16 | C17 | H14 | 58.3° | 150.2° |
| C15 | N12 | C14 | H6 | 180.0° | 177.5° |
| C15 | N12 | C14 | O13 | 0.3° | 13.6° |
| C15 | N12 | C14 | C13 | 179.5° | 161.2° |
| N12 | C15 | H7 | H8 | 118.8° | 118.1° |
| N12 | C15 | C16 | H9 | 173.8° | 160.3° |
| N12 | C15 | C16 | H10 | 67.9° | 45.2° |
| C22 | C21 | O22 | FE | 178.1° | 176.4° |
| C21 | C22 | H18 | H19 | 118.7° | 118.8° |
| C21 | C22 | C23 | H20 | 159.7° | 5.4° |
| C21 | C22 | C23 | H21 | 40.5° | 121.0° |
| C42 | C43 | N44 | H45 | 120.4° | 121.7° |
| C42 | C43 | N44 | H46 | 120.4° | 122.5° |
| C43 | C42 | C41 | H43 | 120.1° | 121.2° |
| C43 | C42 | C41 | H44 | 120.1° | 122.4° |
| C43 | C42 | C41 | C40 | 157.2° | 122.5° |
| C43 | C42 | C41 | H41 | 82.2° | 2.2° |
| C43 | C42 | C41 | H42 | 36.5° | 116.0° |
| C43 | C42 | H43 | H44 | 119.6° | 116.6° |
| C42 | C43 | H45 | H46 | 118.7° | 119.3° |
| C42 | C43 | N44 | H47 | 180.0° | 174.4° |
| C42 | C43 | N44 | H48 | 60.0° | 67.8° |
| N44 | C43 | C42 | C41 | 41.7° | 168.0° |
| N44 | C43 | C42 | H43 | 161.8° | 70.9° |
| N44 | C43 | C42 | H44 | 78.4° | 44.8° |
| N44 | C43 | H45 | H46 | 118.8° | 115.7° |
| C43 | N44 | H47 | H48 | 120.0° | 119.4° |
| O21 | FE | O22 | C21 | 2.2° | 8.2° |
| O21 | FE | O32 | C31 | 163.1° | 145.0° |
| O21 | FE | O32 | O22 | 79.2° | 73.9° |
| O21 | FE | O32 | O11 | 92.2° | 99.3° |
| O21 | FE | O32 | O12 | 130.6° | 117.1° |
| O21 | FE | O32 | O31 | 163.9° | 162.7° |
| O21 | FE | O22 | O11 | 51.9° | 51.3° |
| O21 | FE | O22 | O12 | 95.6° | 73.7° |
| O21 | FE | O22 | O31 | 169.7° | 172.9° |
| O21 | FE | O11 | O12 | 95.5° | 76.8° |
| O21 | FE | O11 | O31 | 172.5° | 174.7° |
| O21 | FE | O12 | O31 | 165.8° | 162.5° |
| O21 | FE | O11 | N11 | 83.9° | 49.0° |
| O21 | FE | O12 | C11 | 78.3° | 74.4° |
| O21 | FE | O31 | N31 | 65.2° | 85.3° |
| C42 | C41 | C40 | H41 | 120.7° | 124.6° |
| C42 | C41 | C40 | H42 | 120.7° | 121.6° |
| C42 | C41 | C40 | C39 | 152.0° | 101.5° |
| C42 | C41 | C40 | H39 | 87.2° | 137.3° |
| C42 | C41 | C40 | H40 | 31.3° | 21.5° |
| C42 | C41 | H41 | H42 | 117.9° | 114.9° |
| C41 | C42 | H43 | H44 | 119.6° | 118.2° |
| C41 | C42 | C43 | H45 | 162.1° | 70.8° |
| C41 | C42 | C43 | H46 | 78.7° | 46.9° |
| C21 | O22 | FE | O32 | 89.0° | 117.0° |
| C21 | O22 | FE | O11 | 54.1° | 59.5° |
| C21 | O22 | FE | O12 | 97.8° | 65.4° |
| C21 | O22 | FE | O31 | 167.5° | 164.7° |
| O22 | C21 | C22 | H18 | 163.2° | 54.7° |
| O22 | C21 | C22 | H19 | 44.0° | 171.5° |
| C24 | N22 | C25 | H22 | 180.0° | 176.1° |
| C24 | N22 | C25 | C26 | 109.7° | 114.9° |
| N22 | C24 | C23 | H20 | 120.0° | 65.0° |
| N22 | C24 | C23 | H21 | 0.8° | 179.5° |
| C24 | N22 | C25 | H23 | 11.2° | 6.2° |
| C24 | N22 | C25 | H24 | 129.5° | 123.4° |
| O23 | C24 | N22 | C25 | 0.2° | 14.4° |
| O23 | C24 | C23 | H20 | 59.7° | 115.8° |
| O23 | C24 | C23 | H21 | 178.9° | 0.3° |
| O23 | C24 | N22 | H22 | 179.7° | 161.6° |
| N22 | C25 | C26 | H23 | 120.9° | 121.4° |
| N22 | C25 | C26 | H24 | 120.9° | 121.3° |
| N22 | C25 | C26 | C27 | 80.2° | 72.8° |
| N22 | C25 | H23 | H24 | 117.3° | 118.0° |
| N22 | C25 | C26 | H25 | 158.5° | 50.5° |
| N22 | C25 | C26 | H26 | 41.0° | 165.5° |
| N12 | C14 | O13 | C13 | 179.1° | 174.8° |
| N12 | C14 | C13 | C12 | 90.8° | 61.5° |
| N12 | C14 | C13 | H4 | 30.2° | 60.2° |
| N12 | C14 | C13 | H5 | 148.2° | 176.8° |
| C14 | N12 | C15 | H7 | 155.4° | 151.8° |
| C14 | N12 | C15 | H8 | 36.1° | 34.6° |
| O32 | C31 | C32 | N31 | 179.9° | 176.6° |
| C31 | O32 | FE | O22 | 83.9° | 71.1° |
| C31 | O32 | FE | O11 | 104.7° | 115.7° |
| C31 | O32 | FE | O12 | 66.3° | 97.9° |
| C31 | O32 | FE | O31 | 0.8° | 17.7° |
| O32 | C31 | N31 | O31 | 0.1° | 9.6° |
| O32 | C31 | N31 | C29 | 179.8° | 168.4° |
| O32 | C31 | C32 | H34 | 0.0° | 3.7° |
| O32 | C31 | C32 | H35 | 120.0° | 123.5° |
| O32 | C31 | C32 | H36 | 120.0° | 116.3° |
| FE | O32 | C31 | C32 | 179.3° | 172.3° |
| O32 | FE | O22 | O11 | 143.1° | 57.5° |
| O32 | FE | O22 | O12 | 173.1° | 177.6° |
| O32 | FE | O22 | O31 | 78.5° | 78.3° |
| FE | O32 | C31 | N31 | 0.6° | 11.0° |
| O32 | FE | O11 | O12 | 171.2° | 176.2° |
| O32 | FE | O11 | O31 | 79.3° | 78.4° |
| O32 | FE | O12 | O31 | 63.8° | 77.9° |
| O32 | FE | O11 | N11 | 177.1° | 156.0° |
| O32 | FE | O12 | C11 | 52.1° | 45.3° |
| O32 | FE | O31 | N31 | 0.8° | 20.9° |
| C32 | C31 | N31 | O31 | 180.0° | 167.1° |
| C32 | C31 | N31 | C29 | 0.0° | 15.0° |
| C31 | C32 | H34 | H35 | 120.0° | 120.0° |
| C31 | C32 | H34 | H36 | 120.0° | 120.1° |
| C31 | C32 | H35 | H36 | 120.0° | 120.2° |
| C41 | C40 | C39 | H39 | 120.7° | 121.2° |
| C41 | C40 | C39 | H40 | 120.7° | 123.7° |
| C41 | C40 | C39 | N11 | 120.0° | 130.7° |
| C41 | C40 | C39 | H37 | 0.2° | 8.5° |
| C41 | C40 | C39 | H38 | 119.9° | 107.7° |
| C41 | C40 | H39 | H40 | 117.8° | 117.7° |
| C40 | C41 | H41 | H42 | 117.9° | 114.9° |
| C40 | C41 | C42 | H43 | 37.0° | 116.4° |
| C40 | C41 | C42 | H44 | 82.7° | 0.0° |
| C40 | C39 | N11 | O11 | 44.6° | 100.9° |
| C40 | C39 | N11 | H37 | 120.2° | 122.5° |
| C40 | C39 | N11 | H38 | 120.1° | 120.9° |
| C40 | C39 | N11 | C11 | 134.9° | 83.9° |
| C40 | C39 | H37 | H38 | 119.5° | 116.7° |
| C39 | C40 | H39 | H40 | 117.8° | 116.2° |
| C39 | C40 | C41 | H41 | 31.3° | 23.2° |
| C39 | C40 | C41 | H42 | 87.3° | 137.0° |
| O22 | FE | O11 | O12 | 45.0° | 127.0° |
| O22 | FE | O11 | O31 | 136.9° | 135.2° |
| O22 | FE | O12 | O31 | 86.9° | 90.5° |
| O22 | FE | O11 | N11 | 33.3° | 99.2° |
| O22 | FE | O12 | C11 | 157.2° | 146.3° |
| O22 | FE | O31 | N31 | 100.4° | 61.5° |
| C25 | C26 | C27 | H25 | 121.2° | 123.0° |
| C25 | C26 | C27 | H26 | 121.2° | 122.0° |
| C25 | C26 | C27 | C28 | 179.3° | 88.5° |
| C26 | C25 | N22 | H22 | 70.3° | 69.0° |
| C26 | C25 | H23 | H24 | 117.3° | 118.4° |
| C25 | C26 | H25 | H26 | 116.1° | 116.1° |
| C25 | C26 | C27 | H27 | 58.7° | 149.6° |
| C25 | C26 | C27 | H28 | 60.1° | 34.6° |
| C31 | N31 | O31 | FE | 0.8° | 23.4° |
| C31 | N31 | O31 | C29 | 180.0° | 178.3° |
| C31 | N31 | C29 | C28 | 135.4° | 104.6° |
| C31 | N31 | C29 | H31 | 15.2° | 17.9° |
| C31 | N31 | C29 | H32 | 104.4° | 134.9° |
| N31 | C31 | C32 | H34 | 179.9° | 173.0° |
| N31 | C31 | C32 | H35 | 60.1° | 53.2° |
| N31 | C31 | C32 | H36 | 59.8° | 67.1° |
| O11 | FE | O12 | O31 | 103.3° | 96.3° |
| FE | O11 | N11 | C39 | 169.7° | 147.3° |
| FE | O11 | N11 | C11 | 9.9° | 28.6° |
| O11 | FE | O12 | C11 | 12.6° | 26.9° |
| O11 | FE | O31 | N31 | 89.5° | 112.8° |
| O12 | FE | O11 | N11 | 11.6° | 27.8° |
| FE | O12 | C11 | N11 | 11.2° | 20.6° |
| O12 | FE | O31 | N31 | 168.1° | 171.1° |
| FE | O12 | C11 | C12 | 170.2° | 159.0° |
| O31 | FE | O11 | N11 | 103.5° | 125.6° |
| O31 | FE | O12 | C11 | 115.9° | 123.1° |
| FE | O31 | N31 | C29 | 179.2° | 154.9° |
| O13 | C14 | C13 | C12 | 90.0° | 113.5° |
| O13 | C14 | C13 | H4 | 149.0° | 124.8° |
| O13 | C14 | C13 | H5 | 30.9° | 8.2° |
| O13 | C14 | N12 | H6 | 179.7° | 163.9° |
| C14 | C13 | C12 | H4 | 121.0° | 121.7° |
| C14 | C13 | C12 | H5 | 121.0° | 121.7° |
| C14 | C13 | C12 | C11 | 91.3° | 64.6° |
| C14 | C13 | C12 | H2 | 147.5° | 57.0° |
| C14 | C13 | C12 | H3 | 29.9° | 172.2° |
| C14 | C13 | H4 | H5 | 117.0° | 117.4° |
| C13 | C14 | N12 | H6 | 0.5° | 21.3° |
| O11 | N11 | C39 | C11 | 179.5° | 175.2° |
| O11 | N11 | C11 | O12 | 1.1° | 6.4° |
| O11 | N11 | C11 | C12 | 179.5° | 173.9° |
| O11 | N11 | C39 | H37 | 75.6° | 136.6° |
| O11 | N11 | C39 | H38 | 164.8° | 20.0° |
| C26 | C27 | C28 | H27 | 120.6° | 121.9° |
| C26 | C27 | C28 | H28 | 120.6° | 123.0° |
| C26 | C27 | C28 | C29 | 43.6° | 164.5° |
| C27 | C26 | C25 | H23 | 40.6° | 165.8° |
| C27 | C26 | C25 | H24 | 158.9° | 48.5° |
| C27 | C26 | H25 | H26 | 116.1° | 115.8° |
| C26 | C27 | H27 | H28 | 118.1° | 116.2° |
| C26 | C27 | C28 | H29 | 164.5° | 42.0° |
| C26 | C27 | C28 | H30 | 77.4° | 74.1° |
| C39 | N11 | C11 | O12 | 179.4° | 168.4° |
| C39 | N11 | C11 | C12 | 1.0° | 11.3° |
| N11 | C39 | H37 | H38 | 119.5° | 117.9° |
| N11 | C39 | C40 | H39 | 119.3° | 108.1° |
| N11 | C39 | C40 | H40 | 0.8° | 7.1° |
| N11 | C11 | O12 | C12 | 178.6° | 179.6° |
| N11 | C11 | C12 | C13 | 51.1° | 120.9° |
| N11 | C11 | C12 | H2 | 70.1° | 117.7° |
| N11 | C11 | C12 | H3 | 172.3° | 1.4° |
| C11 | N11 | C39 | H37 | 104.9° | 38.6° |
| C11 | N11 | C39 | H38 | 14.8° | 155.2° |
| O12 | C11 | C12 | C13 | 130.5° | 59.5° |
| O12 | C11 | C12 | H2 | 108.3° | 61.9° |
| O12 | C11 | C12 | H3 | 9.3° | 178.2° |
| O31 | N31 | C29 | C28 | 44.5° | 73.5° |
| O31 | N31 | C29 | H31 | 164.7° | 164.0° |
| O31 | N31 | C29 | H32 | 75.6° | 47.1° |
| N31 | C29 | C28 | C27 | 49.5° | 128.6° |
| N31 | C29 | C28 | H31 | 120.2° | 122.9° |
| N31 | C29 | C28 | H32 | 120.2° | 120.9° |
| N31 | C29 | C28 | H29 | 71.4° | 5.7° |
| N31 | C29 | C28 | H30 | 170.5° | 109.8° |
| N31 | C29 | H31 | H32 | 119.4° | 117.9° |
| C13 | C12 | C11 | H2 | 121.2° | 121.4° |
| C13 | C12 | C11 | H3 | 121.2° | 122.3° |
| C13 | C12 | H2 | H3 | 116.2° | 116.2° |
| C12 | C13 | H4 | H5 | 117.0° | 117.3° |
| C11 | C12 | H2 | H3 | 116.2° | 118.3° |
| C11 | C12 | C13 | H4 | 29.7° | 173.7° |
| C11 | C12 | C13 | H5 | 147.7° | 57.1° |
| C27 | C28 | C29 | H29 | 120.9° | 123.0° |
| C27 | C28 | C29 | H30 | 120.9° | 121.5° |
| C28 | C27 | C26 | H25 | 59.5° | 34.6° |
| C28 | C27 | C26 | H26 | 58.0° | 149.6° |
| C28 | C27 | H27 | H28 | 118.1° | 116.6° |
| C27 | C28 | H29 | H30 | 117.1° | 116.8° |
| C27 | C28 | C29 | H31 | 70.7° | 5.7° |
| C27 | C28 | C29 | H32 | 169.7° | 110.5° |
| C29 | C28 | C27 | H27 | 77.0° | 73.7° |
| C29 | C28 | C27 | H28 | 164.2° | 41.5° |
| C29 | C28 | H29 | H30 | 117.1° | 116.2° |
| C28 | C29 | H31 | H32 | 119.3° | 116.7° |
| H2 | C12 | C13 | H4 | 91.5° | 64.7° |
| H2 | C12 | C13 | H5 | 26.5° | 178.8° |
| H3 | C12 | C13 | H4 | 150.9° | 50.5° |
| H3 | C12 | C13 | H5 | 91.1° | 66.1° |
| H6 | N12 | C15 | H7 | 24.6° | 25.8° |
| H6 | N12 | C15 | H8 | 143.9° | 143.0° |
| H7 | C15 | C16 | H9 | 53.5° | 78.3° |
| H7 | C15 | C16 | H10 | 171.8° | 166.6° |
| H8 | C15 | C16 | H9 | 65.8° | 39.2° |
| H8 | C15 | C16 | H10 | 52.5° | 75.9° |
| H9 | C16 | C17 | H13 | 62.2° | 86.0° |
| H9 | C16 | C17 | H14 | 179.1° | 28.2° |
| H10 | C16 | C17 | H13 | 56.1° | 159.0° |
| H10 | C16 | C17 | H14 | 62.6° | 86.8° |
| H11 | C18 | C17 | H13 | 173.8° | 111.2° |
| H11 | C18 | C17 | H14 | 55.1° | 134.4° |
| H11 | C18 | C19 | H15 | 157.0° | 169.4° |
| H11 | C18 | C19 | H16 | 37.7° | 74.2° |
| H12 | C18 | C17 | H13 | 67.4° | 5.0° |
| H12 | C18 | C17 | H14 | 174.0° | 109.4° |
| H12 | C18 | C19 | H15 | 38.2° | 75.1° |
| H12 | C18 | C19 | H16 | 81.2° | 41.4° |
| H18 | C22 | C23 | H20 | 39.3° | 126.1° |
| H18 | C22 | C23 | H21 | 79.9° | 118.2° |
| H19 | C22 | C23 | H20 | 80.0° | 117.7° |
| H19 | C22 | C23 | H21 | 160.9° | 2.1° |
| H22 | N22 | C25 | H23 | 168.8° | 169.9° |
| H22 | N22 | C25 | H24 | 50.5° | 52.7° |
| H23 | C25 | C26 | H25 | 80.6° | 71.0° |
| H23 | C25 | C26 | H26 | 161.9° | 44.0° |
| H24 | C25 | C26 | H25 | 37.7° | 171.8° |
| H24 | C25 | C26 | H26 | 79.9° | 73.2° |
| H25 | C26 | C27 | H27 | 179.9° | 87.3° |
| H25 | C26 | C27 | H28 | 61.1° | 157.7° |
| H26 | C26 | C27 | H27 | 62.6° | 27.7° |
| H26 | C26 | C27 | H28 | 178.7° | 87.3° |
| H27 | C27 | C28 | H29 | 43.9° | 163.9° |
| H27 | C27 | C28 | H30 | 162.1° | 47.8° |
| H28 | C27 | C28 | H29 | 74.9° | 81.0° |
| H28 | C27 | C28 | H30 | 43.3° | 163.0° |
| H29 | C28 | C29 | H31 | 168.4° | 117.3° |
| H29 | C28 | C29 | H32 | 48.8° | 126.6° |
| H30 | C28 | C29 | H31 | 50.3° | 127.2° |
| H30 | C28 | C29 | H32 | 69.3° | 11.1° |
| H34 | C32 | H35 | H36 | 120.0° | 119.8° |
| H37 | C39 | C40 | H39 | 120.5° | 129.7° |
| H37 | C39 | C40 | H40 | 120.9° | 115.2° |
| H38 | C39 | C40 | H39 | 0.8° | 13.5° |
| H38 | C39 | C40 | H40 | 119.4° | 128.6° |
| H39 | C40 | C41 | H41 | 152.1° | 98.0° |
| H39 | C40 | C41 | H42 | 33.5° | 15.8° |
| H40 | C40 | C41 | H41 | 89.4° | 146.2° |
| H40 | C40 | C41 | H42 | 152.0° | 100.0° |
| H41 | C41 | C42 | H43 | 157.7° | 119.0° |
| H41 | C41 | C42 | H44 | 37.9° | 124.6° |
| H42 | C41 | C42 | H43 | 83.7° | 5.2° |
| H42 | C41 | C42 | H44 | 156.6° | 121.6° |
| H43 | C42 | C43 | H45 | 77.8° | 50.3° |
| H43 | C42 | C43 | H46 | 41.4° | 168.0° |
| H44 | C42 | C43 | H45 | 42.0° | 166.0° |
| H44 | C42 | C43 | H46 | 161.1° | 76.3° |
| H45 | C43 | N44 | H47 | 59.6° | 63.9° |
| H45 | C43 | N44 | H48 | 179.6° | 53.9° |
| H46 | C43 | N44 | H47 | 59.6° | 51.8° |
| H46 | C43 | N44 | H48 | 60.4° | 169.7° |
