A1EL0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N48 | C47 | sing | 1.38Å | 1.35Å | |
| N46 | C47 | doub | 1.33Å | 1.35Å | Aromatic |
| N46 | C45 | sing | 1.32Å | 1.34Å | Aromatic |
| C47 | C42 | sing | 1.40Å | 1.48Å | Aromatic |
| C45 | N44 | doub | 1.32Å | 1.34Å | Aromatic |
| C42 | N41 | sing | 1.35Å | 1.35Å | Aromatic |
| C42 | C43 | doub | 1.40Å | 1.46Å | Aromatic |
| N44 | C43 | sing | 1.33Å | 1.35Å | Aromatic |
| N41 | C40 | doub | 1.30Å | 1.36Å | Aromatic |
| C43 | N39 | sing | 1.37Å | 1.33Å | Aromatic |
| N39 | C40 | sing | 1.36Å | 1.34Å | Aromatic |
| N39 | C37 | sing | 1.47Å | 1.48Å | |
| C37 | O38 | sing | 1.44Å | 1.43Å | |
| C37 | C35 | sing | 1.54Å | 1.52Å | |
| C20 | S19 | sing | 1.81Å | 1.76Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| O38 | C32 | sing | 1.44Å | 1.43Å | |
| O36 | C35 | sing | 1.43Å | 1.43Å | |
| C35 | C33 | sing | 1.54Å | 1.51Å | |
| S19 | C18 | sing | 1.81Å | 1.77Å | |
| C22 | C21 | sing | 1.53Å | 1.52Å | |
| C22 | N23 | sing | 1.47Å | 1.47Å | |
| C22 | C24 | sing | 1.51Å | 1.50Å | |
| O26 | C24 | doub | 1.21Å | 1.33Å | |
| C24 | O25 | sing | 1.34Å | 1.22Å | |
| C32 | C33 | sing | 1.55Å | 1.52Å | |
| C32 | C31 | sing | 1.53Å | 1.52Å | |
| C33 | O34 | sing | 1.43Å | 1.43Å | |
| C31 | O30 | sing | 1.43Å | 1.42Å | |
| C18 | C16 | sing | 1.53Å | 1.53Å | |
| C16 | O17 | sing | 1.44Å | 1.43Å | |
| C16 | C14 | sing | 1.54Å | 1.52Å | |
| O17 | C11 | sing | 1.44Å | 1.43Å | |
| O30 | P27 | sing | 1.61Å | 1.61Å | |
| O15 | C14 | sing | 1.43Å | 1.42Å | |
| O15 | P27 | sing | 1.61Å | 1.61Å | |
| C14 | C12 | sing | 1.55Å | 1.51Å | |
| C11 | N10 | sing | 1.47Å | 1.48Å | |
| C11 | C12 | sing | 1.55Å | 1.52Å | |
| O28 | P27 | doub | 1.48Å | 1.48Å | |
| N72 | C73 | doub | 1.32Å | 1.34Å | Aromatic |
| N72 | C71 | sing | 1.33Å | 1.35Å | Aromatic |
| P27 | O29 | sing | 1.61Å | 1.61Å | |
| C73 | N74 | sing | 1.32Å | 1.34Å | Aromatic |
| N10 | C71 | sing | 1.37Å | 1.33Å | Aromatic |
| N10 | C68 | sing | 1.36Å | 1.34Å | Aromatic |
| C71 | C70 | doub | 1.41Å | 1.47Å | Aromatic |
| C12 | O13 | sing | 1.43Å | 1.43Å | |
| N74 | C75 | doub | 1.33Å | 1.35Å | Aromatic |
| C68 | N69 | doub | 1.30Å | 1.35Å | Aromatic |
| C70 | C75 | sing | 1.41Å | 1.48Å | Aromatic |
| C70 | N69 | sing | 1.36Å | 1.34Å | Aromatic |
| C75 | N76 | sing | 1.38Å | 1.35Å | |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C16 | H4 | sing | 1.09Å | 1.10Å | |
| C18 | H5 | sing | 1.09Å | 1.10Å | |
| C18 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C31 | H12 | sing | 1.09Å | 1.10Å | |
| C31 | H13 | sing | 1.09Å | 1.10Å | |
| C32 | H14 | sing | 1.09Å | 1.10Å | |
| C33 | H15 | sing | 1.09Å | 1.10Å | |
| C35 | H16 | sing | 1.09Å | 1.10Å | |
| C37 | H17 | sing | 1.09Å | 1.10Å | |
| C40 | H18 | sing | 1.08Å | 1.08Å | |
| C45 | H19 | sing | 1.08Å | 1.08Å | |
| C68 | H20 | sing | 1.08Å | 1.08Å | |
| C73 | H21 | sing | 1.08Å | 1.08Å | |
| N23 | H22 | sing | 1.01Å | 1.00Å | |
| N23 | H23 | sing | 1.01Å | 1.00Å | |
| N48 | H25 | sing | 0.97Å | 1.00Å | |
| N48 | H26 | sing | 0.97Å | 1.00Å | |
| N76 | H27 | sing | 0.97Å | 1.00Å | |
| N76 | H28 | sing | 0.97Å | 1.00Å | |
| O13 | H29 | sing | 0.97Å | 0.95Å | |
| O25 | H30 | sing | 0.97Å | 0.95Å | |
| O29 | H31 | sing | 0.97Å | 0.95Å | |
| O34 | H32 | sing | 0.97Å | 0.95Å | |
| O36 | H33 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N48 | C47 | N46 | 121.0° | 120.8° |
| N48 | C47 | C42 | 121.3° | 120.8° |
| C47 | N48 | H25 | 109.5° | 119.9° |
| C47 | N48 | H26 | 109.5° | 120.0° |
| C47 | N46 | C45 | 121.8° | 121.2° |
| N46 | C47 | C42 | 117.7° | 118.4° |
| N46 | C45 | N44 | 123.6° | 122.5° |
| N46 | C45 | H19 | 118.2° | 118.8° |
| C47 | C42 | N41 | 136.6° | 134.7° |
| C47 | C42 | C43 | 117.0° | 118.2° |
| C45 | N44 | C43 | 120.6° | 120.6° |
| N44 | C45 | H19 | 118.2° | 118.8° |
| N41 | C42 | C43 | 106.4° | 107.1° |
| C42 | N41 | C40 | 107.8° | 109.5° |
| C42 | C43 | N44 | 119.2° | 119.0° |
| C42 | C43 | N39 | 106.3° | 106.0° |
| N44 | C43 | N39 | 134.4° | 134.9° |
| N41 | C40 | N39 | 110.4° | 110.0° |
| N41 | C40 | H18 | 124.8° | 125.0° |
| C43 | N39 | C40 | 109.1° | 107.4° |
| C43 | N39 | C37 | 124.5° | 126.3° |
| C40 | N39 | C37 | 126.4° | 126.3° |
| N39 | C40 | H18 | 124.8° | 125.0° |
| N39 | C37 | O38 | 108.7° | 110.4° |
| N39 | C37 | C35 | 111.8° | 110.4° |
| N39 | C37 | H17 | 109.9° | 110.4° |
| O38 | C37 | C35 | 106.5° | 104.8° |
| C37 | O38 | C32 | 110.6° | 105.3° |
| O38 | C37 | H17 | 110.6° | 110.4° |
| C37 | C35 | O36 | 110.8° | 110.6° |
| C37 | C35 | C33 | 103.7° | 104.1° |
| C37 | C35 | H16 | 110.2° | 110.5° |
| C35 | C37 | H17 | 109.3° | 110.4° |
| S19 | C20 | C21 | 109.9° | 109.5° |
| C20 | S19 | C18 | 109.9° | 103.0° |
| S19 | C20 | H7 | 109.3° | 109.5° |
| S19 | C20 | H8 | 109.4° | 109.5° |
| C20 | C21 | C22 | 109.7° | 109.5° |
| C21 | C20 | H7 | 109.4° | 109.4° |
| C21 | C20 | H8 | 109.4° | 109.5° |
| C20 | C21 | H9 | 109.4° | 109.4° |
| C20 | C21 | H10 | 109.4° | 109.5° |
| O38 | C32 | C33 | 107.3° | 104.8° |
| O38 | C32 | C31 | 109.6° | 110.4° |
| O38 | C32 | H14 | 110.8° | 110.5° |
| O36 | C35 | C33 | 110.2° | 110.5° |
| O36 | C35 | H16 | 111.5° | 110.5° |
| C35 | O36 | H33 | 109.5° | 114.0° |
| C35 | C33 | C32 | 104.4° | 104.1° |
| C35 | C33 | O34 | 108.9° | 110.5° |
| C35 | C33 | H15 | 110.6° | 110.6° |
| C33 | C35 | H16 | 110.2° | 110.5° |
| S19 | C18 | C16 | 107.9° | 109.5° |
| S19 | C18 | H5 | 109.8° | 109.5° |
| S19 | C18 | H6 | 109.9° | 109.5° |
| C21 | C22 | N23 | 109.9° | 109.5° |
| C21 | C22 | C24 | 110.3° | 109.5° |
| C22 | C21 | H9 | 109.4° | 109.5° |
| C22 | C21 | H10 | 109.4° | 109.5° |
| C21 | C22 | H11 | 108.7° | 109.4° |
| N23 | C22 | C24 | 109.6° | 109.5° |
| N23 | C22 | H11 | 109.3° | 109.4° |
| C22 | N23 | H22 | 109.5° | 111.0° |
| C22 | N23 | H23 | 109.5° | 111.0° |
| C22 | C24 | O26 | 120.1° | 120.0° |
| C22 | C24 | O25 | 121.1° | 120.0° |
| C24 | C22 | H11 | 108.9° | 109.5° |
| O26 | C24 | O25 | 118.8° | 120.0° |
| C24 | O25 | H30 | 109.5° | 117.0° |
| C33 | C32 | C31 | 110.2° | 110.3° |
| C32 | C33 | O34 | 110.4° | 110.5° |
| C33 | C32 | H14 | 109.5° | 110.3° |
| C32 | C33 | H15 | 110.5° | 110.5° |
| C32 | C31 | O30 | 106.8° | 109.4° |
| C32 | C31 | H12 | 110.1° | 109.5° |
| C32 | C31 | H13 | 110.1° | 109.5° |
| C31 | C32 | H14 | 109.5° | 110.3° |
| O34 | C33 | H15 | 111.8° | 110.5° |
| C33 | O34 | H32 | 109.5° | 114.0° |
| C31 | O30 | P27 | 120.5° | 123.0° |
| O30 | C31 | H12 | 110.1° | 109.5° |
| O30 | C31 | H13 | 110.1° | 109.5° |
| C18 | C16 | O17 | 109.2° | 109.9° |
| C18 | C16 | C14 | 113.1° | 109.9° |
| C18 | C16 | H4 | 108.8° | 109.8° |
| C16 | C18 | H5 | 109.9° | 109.4° |
| C16 | C18 | H6 | 109.9° | 109.5° |
| O17 | C16 | C14 | 106.9° | 107.3° |
| C16 | O17 | C11 | 109.6° | 107.0° |
| O17 | C16 | H4 | 110.0° | 109.9° |
| C16 | C14 | O15 | 106.5° | 110.5° |
| C16 | C14 | C12 | 102.5° | 104.2° |
| C16 | C14 | H3 | 113.0° | 110.5° |
| C14 | C16 | H4 | 108.9° | 110.0° |
| O17 | C11 | N10 | 111.7° | 110.6° |
| O17 | C11 | C12 | 105.0° | 103.5° |
| O17 | C11 | H1 | 110.5° | 110.6° |
| O30 | P27 | O15 | 108.9° | 109.4° |
| O30 | P27 | O28 | 107.8° | 109.5° |
| O30 | P27 | O29 | 109.4° | 109.5° |
| C14 | O15 | P27 | 123.4° | 123.0° |
| O15 | C14 | C12 | 106.0° | 110.5° |
| O15 | C14 | H3 | 114.7° | 110.6° |
| O15 | P27 | O28 | 109.2° | 109.4° |
| O15 | P27 | O29 | 110.5° | 109.4° |
| C14 | C12 | C11 | 102.8° | 102.1° |
| C14 | C12 | O13 | 110.7° | 110.9° |
| C14 | C12 | H2 | 110.6° | 110.9° |
| C12 | C14 | H3 | 113.2° | 110.4° |
| N10 | C11 | C12 | 110.4° | 110.6° |
| C11 | N10 | C71 | 125.8° | 126.3° |
| C11 | N10 | C68 | 125.7° | 126.3° |
| N10 | C11 | H1 | 109.8° | 110.5° |
| C11 | C12 | O13 | 110.3° | 110.9° |
| C12 | C11 | H1 | 109.3° | 110.7° |
| C11 | C12 | H2 | 110.4° | 110.9° |
| O28 | P27 | O29 | 111.0° | 109.5° |
| C73 | N72 | C71 | 120.7° | 120.7° |
| N72 | C73 | N74 | 124.0° | 122.4° |
| N72 | C73 | H21 | 118.0° | 118.7° |
| N72 | C71 | N10 | 134.6° | 134.9° |
| N72 | C71 | C70 | 118.8° | 119.0° |
| P27 | O29 | H31 | 109.5° | 114.0° |
| C73 | N74 | C75 | 121.4° | 121.2° |
| N74 | C73 | H21 | 118.0° | 118.8° |
| C71 | N10 | C68 | 108.6° | 107.4° |
| N10 | C71 | C70 | 106.6° | 106.0° |
| N10 | C68 | N69 | 110.9° | 110.0° |
| N10 | C68 | H20 | 124.5° | 125.0° |
| C71 | C70 | C75 | 117.2° | 118.2° |
| C71 | C70 | N69 | 106.2° | 107.1° |
| O13 | C12 | H2 | 111.8° | 110.8° |
| C12 | O13 | H29 | 109.5° | 113.9° |
| N74 | C75 | C70 | 117.9° | 118.5° |
| N74 | C75 | N76 | 120.6° | 120.7° |
| C68 | N69 | C70 | 107.7° | 109.4° |
| N69 | C68 | H20 | 124.6° | 125.0° |
| C75 | C70 | N69 | 136.6° | 134.7° |
| C70 | C75 | N76 | 121.5° | 120.8° |
| C75 | N76 | H27 | 109.5° | 120.0° |
| C75 | N76 | H28 | 109.4° | 120.1° |
| H5 | C18 | H6 | 109.5° | 109.5° |
| H7 | C20 | H8 | 109.5° | 109.5° |
| H9 | C21 | H10 | 109.5° | 109.5° |
| H12 | C31 | H13 | 109.4° | 109.5° |
| H22 | N23 | H23 | 109.5° | 111.0° |
| H25 | N48 | H26 | 109.5° | 120.1° |
| H27 | N76 | H28 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N48 | C47 | N46 | C42 | 179.8° | 180.0° |
| N48 | C47 | N46 | C45 | 179.9° | 180.0° |
| N48 | C47 | C42 | N41 | 0.5° | 0.0° |
| N48 | C47 | C42 | C43 | 180.0° | 179.7° |
| C47 | N48 | H25 | H26 | 120.0° | 180.0° |
| C47 | N46 | C45 | N44 | 0.1° | 0.1° |
| N46 | C47 | C42 | N41 | 179.7° | 180.0° |
| N46 | C47 | C42 | C43 | 0.2° | 0.3° |
| C47 | N46 | C45 | H19 | 179.9° | 180.0° |
| N46 | C47 | N48 | H25 | 0.0° | 180.0° |
| N46 | C47 | N48 | H26 | 120.0° | 0.0° |
| C45 | N46 | C47 | C42 | 0.2° | 0.1° |
| N46 | C45 | N44 | H19 | 180.0° | 179.8° |
| N46 | C45 | N44 | C43 | 0.0° | 0.4° |
| C47 | C42 | N41 | C43 | 179.5° | 179.7° |
| C47 | C42 | C43 | N44 | 0.1° | 0.6° |
| C47 | C42 | N41 | C40 | 179.7° | 180.0° |
| C47 | C42 | C43 | N39 | 179.4° | 179.8° |
| C42 | C47 | N48 | H25 | 179.8° | 0.0° |
| C42 | C47 | N48 | H26 | 59.8° | 180.0° |
| C45 | N44 | C43 | C42 | 0.0° | 0.6° |
| C45 | N44 | C43 | N39 | 179.4° | 179.6° |
| N41 | C42 | C43 | N44 | 179.7° | 179.6° |
| N41 | C42 | C43 | N39 | 0.2° | 0.4° |
| C42 | N41 | C40 | N39 | 0.5° | 0.0° |
| C42 | N41 | C40 | H18 | 179.6° | 180.0° |
| C42 | C43 | N44 | N39 | 179.4° | 179.0° |
| C43 | C42 | N41 | C40 | 0.2° | 0.2° |
| C42 | C43 | N39 | C40 | 0.5° | 0.4° |
| C42 | C43 | N39 | C37 | 179.6° | 179.9° |
| N44 | C43 | N39 | C40 | 179.9° | 179.5° |
| N44 | C43 | N39 | C37 | 1.0° | 0.8° |
| C43 | N44 | C45 | H19 | 180.0° | 179.8° |
| N41 | C40 | N39 | C43 | 0.6° | 0.3° |
| N41 | C40 | N39 | H18 | 180.0° | 179.9° |
| N41 | C40 | N39 | C37 | 179.7° | 180.0° |
| C43 | N39 | C40 | C37 | 179.1° | 179.7° |
| C43 | N39 | C37 | O38 | 100.6° | 156.7° |
| C43 | N39 | C37 | C35 | 142.0° | 87.9° |
| C43 | N39 | C37 | H17 | 20.5° | 34.4° |
| C43 | N39 | C40 | H18 | 179.4° | 179.8° |
| C40 | N39 | C37 | O38 | 78.3° | 23.6° |
| C40 | N39 | C37 | C35 | 39.0° | 91.8° |
| C40 | N39 | C37 | H17 | 160.5° | 145.9° |
| N39 | C37 | O38 | C35 | 120.6° | 118.9° |
| N39 | C37 | O38 | H17 | 120.7° | 122.3° |
| N39 | C37 | C35 | H17 | 121.9° | 122.3° |
| N39 | C37 | O38 | C32 | 137.5° | 159.4° |
| N39 | C37 | C35 | O36 | 96.6° | 98.5° |
| N39 | C37 | C35 | C33 | 145.2° | 142.8° |
| N39 | C37 | C35 | H16 | 27.3° | 24.2° |
| C37 | N39 | C40 | H18 | 0.4° | 0.1° |
| O38 | C37 | C35 | H17 | 119.5° | 118.9° |
| O38 | C37 | C35 | O36 | 144.8° | 142.7° |
| O38 | C37 | C35 | C33 | 26.6° | 23.9° |
| C37 | O38 | C32 | C33 | 0.0° | 40.5° |
| C37 | O38 | C32 | C31 | 119.6° | 159.3° |
| C37 | O38 | C32 | H14 | 119.4° | 78.4° |
| O38 | C37 | C35 | H16 | 91.3° | 94.7° |
| C35 | C37 | O38 | C32 | 16.9° | 40.5° |
| C37 | C35 | O36 | C33 | 114.2° | 114.7° |
| C37 | C35 | O36 | H16 | 123.1° | 122.7° |
| C37 | C35 | C33 | H16 | 117.9° | 118.6° |
| C37 | C35 | C33 | C32 | 25.9° | 0.0° |
| C37 | C35 | C33 | O34 | 92.1° | 118.6° |
| C37 | C35 | C33 | H15 | 144.7° | 118.7° |
| C37 | C35 | O36 | H33 | 180.0° | 176.2° |
| S19 | C20 | C21 | H7 | 120.0° | 120.0° |
| S19 | C20 | C21 | H8 | 120.1° | 120.0° |
| S19 | C20 | C21 | C22 | 179.1° | 180.0° |
| C20 | S19 | C18 | C16 | 176.6° | 180.0° |
| C20 | S19 | C18 | H5 | 63.7° | 60.0° |
| C20 | S19 | C18 | H6 | 56.8° | 60.0° |
| S19 | C20 | H7 | H8 | 119.8° | 120.0° |
| S19 | C20 | C21 | H9 | 59.1° | 60.0° |
| S19 | C20 | C21 | H10 | 60.8° | 60.0° |
| C21 | C20 | S19 | C18 | 43.3° | 180.0° |
| C20 | C21 | C22 | H9 | 120.0° | 120.0° |
| C20 | C21 | C22 | H10 | 120.0° | 120.0° |
| C20 | C21 | C22 | N23 | 134.7° | 65.0° |
| C20 | C21 | C22 | C24 | 104.3° | 175.0° |
| C21 | C20 | H7 | H8 | 119.8° | 120.0° |
| C20 | C21 | H9 | H10 | 119.9° | 120.0° |
| C20 | C21 | C22 | H11 | 15.1° | 55.0° |
| O38 | C32 | C33 | C35 | 16.7° | 24.0° |
| O38 | C32 | C33 | C31 | 119.3° | 118.8° |
| O38 | C32 | C33 | H14 | 120.3° | 119.0° |
| O38 | C32 | C31 | H14 | 121.7° | 122.4° |
| O38 | C32 | C33 | O34 | 100.2° | 142.6° |
| O38 | C32 | C31 | O30 | 170.0° | 69.6° |
| O38 | C32 | C31 | H12 | 70.4° | 50.3° |
| O38 | C32 | C31 | H13 | 50.4° | 170.4° |
| O38 | C32 | C33 | H15 | 135.6° | 94.8° |
| C32 | O38 | C37 | H17 | 101.8° | 78.3° |
| O36 | C35 | C33 | H16 | 123.5° | 122.6° |
| O36 | C35 | C33 | C32 | 144.6° | 118.8° |
| O36 | C35 | C33 | O34 | 26.6° | 0.2° |
| O36 | C35 | C33 | H15 | 96.6° | 122.5° |
| O36 | C35 | C37 | H17 | 25.3° | 23.8° |
| C35 | C33 | C32 | O34 | 116.9° | 118.6° |
| C35 | C33 | C32 | H15 | 118.9° | 118.8° |
| C35 | C33 | C32 | C31 | 102.5° | 142.8° |
| C35 | C33 | O34 | H15 | 122.5° | 122.8° |
| C35 | C33 | C32 | H14 | 137.0° | 95.0° |
| C33 | C35 | C37 | H17 | 92.9° | 94.9° |
| C35 | C33 | O34 | H32 | 180.0° | 65.4° |
| C33 | C35 | O36 | H33 | 65.8° | 61.5° |
| S19 | C18 | C16 | H5 | 119.7° | 120.0° |
| S19 | C18 | C16 | H6 | 119.8° | 120.0° |
| S19 | C18 | C16 | O17 | 67.2° | 66.4° |
| S19 | C18 | C16 | C14 | 173.9° | 175.7° |
| S19 | C18 | C16 | H4 | 52.8° | 54.5° |
| S19 | C18 | H5 | H6 | 120.7° | 120.0° |
| C18 | S19 | C20 | H7 | 163.4° | 60.0° |
| C18 | S19 | C20 | H8 | 76.8° | 60.0° |
| C21 | C22 | N23 | C24 | 121.4° | 120.0° |
| C21 | C22 | N23 | H11 | 119.2° | 119.9° |
| C21 | C22 | C24 | H11 | 119.2° | 120.0° |
| C21 | C22 | C24 | O26 | 72.8° | 100.0° |
| C21 | C22 | C24 | O25 | 107.7° | 80.0° |
| C22 | C21 | C20 | H7 | 60.8° | 60.0° |
| C22 | C21 | C20 | H8 | 59.1° | 60.0° |
| C22 | C21 | H9 | H10 | 119.9° | 120.0° |
| C21 | C22 | N23 | H22 | 180.0° | 60.1° |
| C21 | C22 | N23 | H23 | 60.0° | 64.0° |
| N23 | C22 | C24 | H11 | 119.6° | 120.0° |
| N23 | C22 | C24 | O26 | 166.0° | 20.0° |
| N23 | C22 | C24 | O25 | 13.5° | 160.0° |
| N23 | C22 | C21 | H9 | 105.2° | 55.0° |
| N23 | C22 | C21 | H10 | 14.7° | 175.0° |
| C22 | N23 | H22 | H23 | 120.0° | 124.0° |
| C22 | C24 | O26 | O25 | 179.5° | 180.0° |
| C24 | C22 | C21 | H9 | 15.8° | 65.0° |
| C24 | C22 | C21 | H10 | 135.7° | 55.0° |
| C24 | C22 | N23 | H22 | 58.6° | 60.0° |
| C24 | C22 | N23 | H23 | 61.4° | 176.0° |
| C22 | C24 | O25 | H30 | 179.4° | 180.0° |
| O26 | C24 | C22 | H11 | 46.4° | 140.0° |
| O26 | C24 | O25 | H30 | 0.0° | 0.0° |
| O25 | C24 | C22 | H11 | 133.1° | 40.0° |
| C33 | C32 | C31 | H14 | 120.4° | 122.2° |
| C32 | C33 | O34 | H15 | 123.4° | 122.6° |
| C33 | C32 | C31 | O30 | 72.2° | 175.0° |
| C33 | C32 | C31 | H12 | 47.4° | 65.0° |
| C33 | C32 | C31 | H13 | 168.2° | 55.0° |
| C32 | C33 | C35 | H16 | 92.0° | 118.6° |
| C32 | C33 | O34 | H32 | 65.9° | 180.0° |
| C31 | C32 | C33 | O34 | 140.6° | 98.6° |
| C32 | C31 | O30 | H12 | 119.6° | 120.0° |
| C32 | C31 | O30 | H13 | 119.6° | 120.0° |
| C32 | C31 | O30 | P27 | 159.2° | 180.0° |
| C32 | C31 | H12 | H13 | 121.2° | 120.1° |
| C31 | C32 | C33 | H15 | 16.3° | 24.0° |
| O34 | C33 | C32 | H14 | 20.1° | 23.6° |
| O34 | C33 | C35 | H16 | 150.1° | 122.8° |
| C31 | O30 | P27 | O15 | 49.5° | 175.0° |
| C31 | O30 | P27 | O28 | 68.8° | 55.1° |
| C31 | O30 | P27 | O29 | 170.3° | 65.0° |
| O30 | C31 | H12 | H13 | 121.2° | 120.0° |
| O30 | C31 | C32 | H14 | 48.3° | 52.8° |
| C18 | C16 | O17 | C14 | 122.7° | 119.5° |
| C18 | C16 | O17 | H4 | 119.3° | 120.9° |
| C18 | C16 | C14 | H4 | 121.0° | 121.0° |
| C18 | C16 | O17 | C11 | 119.7° | 146.0° |
| C18 | C16 | C14 | O15 | 152.9° | 119.9° |
| C18 | C16 | C14 | C12 | 96.0° | 121.5° |
| C18 | C16 | C14 | H3 | 26.1° | 2.8° |
| C16 | C18 | H5 | H6 | 120.7° | 120.0° |
| O17 | C16 | C14 | H4 | 118.8° | 119.5° |
| O17 | C16 | C14 | O15 | 87.0° | 120.7° |
| O17 | C16 | C14 | C12 | 24.1° | 2.0° |
| C16 | O17 | C11 | N10 | 139.0° | 158.6° |
| C16 | O17 | C11 | C12 | 19.4° | 40.0° |
| C16 | O17 | C11 | H1 | 98.4° | 78.6° |
| O17 | C16 | C14 | H3 | 146.3° | 116.6° |
| O17 | C16 | C18 | H5 | 52.5° | 53.6° |
| O17 | C16 | C18 | H6 | 173.0° | 173.6° |
| C14 | C16 | O17 | C11 | 3.0° | 26.5° |
| C16 | C14 | O15 | C12 | 108.6° | 114.8° |
| C16 | C14 | O15 | H3 | 125.7° | 122.7° |
| C16 | C14 | O15 | P27 | 143.3° | 120.0° |
| C16 | C14 | C12 | H3 | 122.0° | 118.7° |
| C16 | C14 | C12 | C11 | 34.8° | 20.9° |
| C16 | C14 | C12 | O13 | 152.5° | 139.1° |
| C16 | C14 | C12 | H2 | 83.1° | 97.3° |
| C14 | C16 | C18 | H5 | 66.4° | 64.3° |
| C14 | C16 | C18 | H6 | 54.1° | 55.7° |
| O17 | C11 | C12 | C14 | 34.0° | 37.0° |
| O17 | C11 | N10 | C12 | 116.5° | 114.1° |
| O17 | C11 | N10 | H1 | 123.0° | 122.8° |
| O17 | C11 | C12 | H1 | 118.6° | 118.5° |
| O17 | C11 | N10 | C71 | 52.0° | 156.5° |
| O17 | C11 | N10 | C68 | 128.5° | 23.9° |
| O17 | C11 | C12 | O13 | 152.0° | 155.2° |
| O17 | C11 | C12 | H2 | 84.0° | 81.2° |
| C11 | O17 | C16 | H4 | 121.1° | 93.1° |
| O30 | P27 | O15 | C14 | 69.1° | 175.0° |
| O30 | P27 | O15 | O28 | 117.5° | 120.0° |
| O30 | P27 | O15 | O29 | 120.1° | 120.0° |
| O30 | P27 | O28 | O29 | 119.8° | 120.1° |
| P27 | O30 | C31 | H12 | 81.1° | 60.0° |
| P27 | O30 | C31 | H13 | 39.7° | 60.0° |
| O30 | P27 | O29 | H31 | 118.8° | 60.0° |
| O15 | C14 | C12 | H3 | 126.5° | 122.6° |
| O15 | C14 | C12 | C11 | 76.7° | 97.8° |
| C14 | O15 | P27 | O28 | 173.4° | 55.0° |
| C14 | O15 | P27 | O29 | 51.1° | 65.0° |
| O15 | C14 | C12 | O13 | 41.0° | 20.4° |
| O15 | C14 | C12 | H2 | 165.5° | 144.0° |
| O15 | C14 | C16 | H4 | 31.8° | 1.2° |
| P27 | O15 | C14 | C12 | 108.1° | 125.2° |
| O15 | P27 | O28 | O29 | 122.0° | 120.0° |
| P27 | O15 | C14 | H3 | 17.6° | 2.7° |
| O15 | P27 | O29 | H31 | 121.3° | 60.0° |
| C14 | C12 | C11 | N10 | 154.6° | 155.5° |
| C14 | C12 | C11 | O13 | 118.0° | 118.2° |
| C14 | C12 | C11 | H2 | 118.0° | 118.2° |
| C14 | C12 | O13 | H2 | 123.8° | 123.6° |
| C14 | C12 | C11 | H1 | 84.6° | 81.5° |
| C12 | C14 | C16 | H4 | 142.9° | 117.5° |
| C14 | C12 | O13 | H29 | 180.0° | 180.0° |
| N10 | C11 | C12 | H1 | 120.9° | 122.9° |
| C11 | N10 | C71 | N72 | 0.4° | 0.9° |
| C11 | N10 | C71 | C68 | 179.6° | 179.7° |
| C11 | N10 | C71 | C70 | 179.8° | 179.9° |
| N10 | C11 | C12 | O13 | 87.4° | 86.3° |
| C11 | N10 | C68 | N69 | 179.8° | 180.0° |
| N10 | C11 | C12 | H2 | 36.6° | 37.3° |
| C11 | N10 | C68 | H20 | 0.2° | 0.0° |
| C12 | C11 | N10 | C71 | 64.5° | 89.4° |
| C12 | C11 | N10 | C68 | 115.1° | 90.2° |
| C11 | C12 | O13 | H2 | 123.2° | 123.7° |
| C11 | C12 | C14 | H3 | 156.8° | 139.6° |
| C11 | C12 | O13 | H29 | 67.0° | 67.3° |
| O28 | P27 | O29 | H31 | 0.0° | 180.0° |
| N72 | C73 | N74 | H21 | 180.0° | 180.0° |
| C73 | N72 | C71 | N10 | 179.8° | 179.5° |
| C73 | N72 | C71 | C70 | 0.1° | 0.6° |
| N72 | C73 | N74 | C75 | 0.0° | 0.0° |
| C71 | N72 | C73 | N74 | 0.1° | 0.3° |
| N72 | C71 | N10 | C70 | 179.8° | 179.0° |
| N72 | C71 | N10 | C68 | 179.9° | 179.4° |
| N72 | C71 | C70 | C75 | 0.1° | 0.6° |
| N72 | C71 | C70 | N69 | 179.9° | 179.7° |
| C71 | N72 | C73 | H21 | 179.9° | 179.7° |
| C73 | N74 | C75 | C70 | 0.0° | 0.1° |
| C73 | N74 | C75 | N76 | 180.0° | 179.9° |
| C71 | N10 | C68 | N69 | 0.2° | 0.3° |
| N10 | C71 | C70 | C75 | 179.9° | 179.8° |
| N10 | C71 | C70 | N69 | 0.1° | 0.5° |
| C71 | N10 | C11 | H1 | 175.0° | 33.6° |
| C71 | N10 | C68 | H20 | 179.8° | 179.7° |
| C68 | N10 | C71 | C70 | 0.2° | 0.4° |
| N10 | C68 | N69 | H20 | 180.0° | 180.0° |
| N10 | C68 | N69 | C70 | 0.1° | 0.0° |
| C68 | N10 | C11 | H1 | 5.5° | 146.7° |
| C71 | C70 | C75 | N74 | 0.0° | 0.4° |
| C71 | C70 | N69 | C68 | 0.0° | 0.3° |
| C71 | C70 | C75 | N69 | 180.0° | 179.6° |
| C71 | C70 | C75 | N76 | 180.0° | 179.6° |
| O13 | C12 | C11 | H1 | 33.4° | 36.7° |
| O13 | C12 | C14 | H3 | 85.5° | 102.2° |
| N74 | C75 | C70 | N76 | 180.0° | 180.0° |
| N74 | C75 | C70 | N69 | 180.0° | 180.0° |
| C75 | N74 | C73 | H21 | 180.0° | 180.0° |
| N74 | C75 | N76 | H27 | 0.0° | 180.0° |
| N74 | C75 | N76 | H28 | 120.0° | 0.1° |
| C68 | N69 | C70 | C75 | 180.0° | 180.0° |
| C70 | C75 | N76 | H27 | 180.0° | 0.0° |
| C70 | C75 | N76 | H28 | 60.0° | 179.9° |
| N69 | C70 | C75 | N76 | 0.0° | 0.0° |
| C70 | N69 | C68 | H20 | 179.9° | 180.0° |
| C75 | N76 | H27 | H28 | 120.0° | 179.9° |
| H1 | C11 | C12 | H2 | 157.4° | 160.2° |
| H2 | C12 | C14 | H3 | 38.9° | 21.3° |
| H2 | C12 | O13 | H29 | 56.2° | 56.4° |
| H3 | C14 | C16 | H4 | 94.9° | 123.9° |
| H4 | C16 | C18 | H5 | 172.6° | 174.5° |
| H4 | C16 | C18 | H6 | 67.0° | 65.5° |
| H7 | C20 | C21 | H9 | 179.2° | 180.0° |
| H7 | C20 | C21 | H10 | 59.2° | 60.0° |
| H8 | C20 | C21 | H9 | 60.9° | 60.0° |
| H8 | C20 | C21 | H10 | 179.1° | 180.0° |
| H9 | C21 | C22 | H11 | 135.1° | 174.9° |
| H10 | C21 | C22 | H11 | 104.9° | 65.0° |
| H11 | C22 | N23 | H22 | 60.8° | 180.0° |
| H11 | C22 | N23 | H23 | 179.2° | 56.0° |
| H12 | C31 | C32 | H14 | 167.9° | 172.8° |
| H13 | C31 | C32 | H14 | 71.3° | 67.2° |
| H14 | C32 | C33 | H15 | 104.1° | 146.2° |
| H15 | C33 | C35 | H16 | 26.8° | 0.1° |
| H15 | C33 | O34 | H32 | 57.5° | 57.4° |
| H16 | C35 | C37 | H17 | 149.1° | 146.5° |
| H16 | C35 | O36 | H33 | 56.9° | 61.2° |
