OVL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N39 | C38 | sing | 1.38Å | 1.44Å | |
| N32 | C33 | sing | 1.35Å | 1.41Å | Aromatic |
| N32 | C31 | doub | 1.30Å | 1.34Å | Aromatic |
| C38 | C33 | doub | 1.41Å | 1.48Å | Aromatic |
| C38 | N37 | sing | 1.33Å | 1.37Å | Aromatic |
| C33 | C34 | sing | 1.41Å | 1.42Å | Aromatic |
| C31 | N30 | sing | 1.36Å | 1.43Å | Aromatic |
| N37 | C36 | doub | 1.32Å | 1.40Å | Aromatic |
| O29 | C26 | sing | 1.43Å | 1.38Å | |
| C26 | C27 | sing | 1.55Å | 1.53Å | |
| C26 | C25 | sing | 1.55Å | 1.49Å | |
| O28 | C27 | sing | 1.43Å | 1.36Å | |
| C34 | N30 | sing | 1.37Å | 1.44Å | Aromatic |
| C34 | N35 | doub | 1.33Å | 1.40Å | Aromatic |
| N30 | C25 | sing | 1.46Å | 1.45Å | |
| C27 | C23 | sing | 1.54Å | 1.59Å | |
| C36 | N35 | sing | 1.32Å | 1.34Å | Aromatic |
| C25 | O24 | sing | 1.44Å | 1.53Å | |
| C05 | C06 | sing | 1.53Å | 1.61Å | |
| C05 | C04 | sing | 1.53Å | 1.55Å | |
| O24 | C23 | sing | 1.44Å | 1.41Å | |
| C23 | C22 | sing | 1.53Å | 1.61Å | |
| C06 | N07 | sing | 1.48Å | 1.49Å | |
| C22 | N20 | sing | 1.47Å | 1.50Å | |
| N07 | C08 | sing | 1.37Å | 1.48Å | |
| N47 | C46 | sing | 1.38Å | 1.43Å | |
| C04 | N03 | sing | 1.48Å | 1.50Å | |
| N03 | C02 | sing | 1.37Å | 1.43Å | |
| C46 | N45 | doub | 1.33Å | 1.39Å | Aromatic |
| C46 | C41 | sing | 1.41Å | 1.49Å | Aromatic |
| C02 | C21 | sing | 1.51Å | 1.60Å | |
| C02 | O01 | doub | 1.21Å | 1.21Å | |
| C21 | N20 | sing | 1.47Å | 1.52Å | |
| N20 | C19 | sing | 1.47Å | 1.65Å | |
| N45 | C44 | sing | 1.32Å | 1.38Å | Aromatic |
| N40 | C41 | sing | 1.35Å | 1.43Å | Aromatic |
| N40 | C16 | doub | 1.31Å | 1.36Å | Aromatic |
| C08 | N10 | sing | 1.37Å | 1.44Å | |
| C08 | O09 | doub | 1.22Å | 1.23Å | |
| C41 | C42 | doub | 1.41Å | 1.43Å | Aromatic |
| N10 | C11 | sing | 1.48Å | 1.50Å | |
| C44 | N43 | doub | 1.32Å | 1.33Å | Aromatic |
| C16 | C17 | sing | 1.44Å | 1.64Å | |
| C16 | N15 | sing | 1.37Å | 1.45Å | Aromatic |
| C17 | C18 | trip | 1.20Å | 1.23Å | |
| C42 | N43 | sing | 1.33Å | 1.39Å | Aromatic |
| C42 | N15 | sing | 1.38Å | 1.45Å | Aromatic |
| C18 | C19 | sing | 1.48Å | 1.62Å | |
| N15 | C14 | sing | 1.46Å | 1.48Å | |
| O13 | C14 | sing | 1.43Å | 1.42Å | |
| O13 | C12 | sing | 1.43Å | 1.42Å | |
| C14 | C48 | sing | 1.54Å | 1.54Å | |
| C11 | C12 | sing | 1.53Å | 1.55Å | |
| C12 | C49 | sing | 1.54Å | 1.55Å | |
| C48 | C49 | sing | 1.54Å | 1.54Å | |
| C48 | O51 | sing | 1.43Å | 1.37Å | |
| C49 | O50 | sing | 1.43Å | 1.39Å | |
| C21 | H1 | sing | 1.09Å | 1.10Å | |
| C21 | H2 | sing | 1.09Å | 1.10Å | |
| C22 | H3 | sing | 1.09Å | 1.10Å | |
| C22 | H4 | sing | 1.09Å | 1.10Å | |
| C26 | H5 | sing | 1.09Å | 1.10Å | |
| C04 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| C05 | H8 | sing | 1.09Å | 1.10Å | |
| C05 | H9 | sing | 1.09Å | 1.10Å | |
| C06 | H10 | sing | 1.09Å | 1.10Å | |
| C06 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C25 | H19 | sing | 1.09Å | 1.10Å | |
| C27 | H20 | sing | 1.09Å | 1.10Å | |
| C31 | H21 | sing | 1.08Å | 1.08Å | |
| C36 | H22 | sing | 1.08Å | 1.08Å | |
| C44 | H23 | sing | 1.08Å | 1.08Å | |
| C48 | H24 | sing | 1.09Å | 1.10Å | |
| C49 | H25 | sing | 1.09Å | 1.10Å | |
| N03 | H26 | sing | 0.97Å | 1.00Å | |
| N07 | H27 | sing | 0.97Å | 1.00Å | |
| N10 | H28 | sing | 0.97Å | 1.00Å | |
| N39 | H30 | sing | 0.97Å | 1.00Å | |
| N39 | H31 | sing | 0.97Å | 1.00Å | |
| N47 | H32 | sing | 0.97Å | 1.00Å | |
| N47 | H33 | sing | 0.97Å | 1.00Å | |
| O28 | H34 | sing | 0.97Å | 0.95Å | |
| O29 | H35 | sing | 0.97Å | 0.95Å | |
| O50 | H36 | sing | 0.97Å | 0.95Å | |
| O51 | H37 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N39 | C38 | C33 | 122.0° | 120.7° |
| N39 | C38 | N37 | 119.2° | 120.8° |
| C38 | N39 | H30 | 109.5° | 120.0° |
| C38 | N39 | H31 | 109.5° | 120.0° |
| C33 | N32 | C31 | 107.9° | 109.5° |
| N32 | C33 | C38 | 134.5° | 134.7° |
| N32 | C33 | C34 | 108.1° | 107.2° |
| N32 | C31 | N30 | 112.2° | 109.9° |
| N32 | C31 | H21 | 123.9° | 125.0° |
| C33 | C38 | N37 | 118.8° | 118.4° |
| C38 | C33 | C34 | 117.4° | 118.1° |
| C38 | N37 | C36 | 118.9° | 121.3° |
| C33 | C34 | N30 | 107.6° | 106.0° |
| C33 | C34 | N35 | 122.1° | 119.1° |
| C31 | N30 | C34 | 104.3° | 107.5° |
| C31 | N30 | C25 | 133.4° | 126.2° |
| N30 | C31 | H21 | 123.9° | 125.0° |
| N37 | C36 | N35 | 125.9° | 122.4° |
| N37 | C36 | H22 | 117.0° | 118.8° |
| O29 | C26 | C27 | 116.6° | 110.9° |
| O29 | C26 | C25 | 105.5° | 110.9° |
| O29 | C26 | H5 | 112.4° | 110.9° |
| C26 | O29 | H35 | 109.5° | 114.0° |
| C27 | C26 | C25 | 100.8° | 102.1° |
| C26 | C27 | O28 | 110.2° | 110.5° |
| C26 | C27 | C23 | 108.5° | 104.2° |
| C27 | C26 | H5 | 110.1° | 110.9° |
| C26 | C27 | H20 | 109.0° | 110.5° |
| C26 | C25 | N30 | 103.8° | 110.6° |
| C26 | C25 | O24 | 106.0° | 103.5° |
| C25 | C26 | H5 | 110.6° | 110.9° |
| C26 | C25 | H19 | 111.9° | 110.6° |
| O28 | C27 | C23 | 109.4° | 110.5° |
| O28 | C27 | H20 | 111.5° | 110.5° |
| C27 | O28 | H34 | 109.5° | 114.0° |
| N30 | C34 | N35 | 130.3° | 134.9° |
| C34 | N30 | C25 | 122.3° | 126.3° |
| C34 | N35 | C36 | 116.9° | 120.6° |
| N30 | C25 | O24 | 111.0° | 110.6° |
| N30 | C25 | H19 | 112.4° | 110.7° |
| C27 | C23 | O24 | 94.3° | 107.3° |
| C27 | C23 | C22 | 113.4° | 109.9° |
| C27 | C23 | H18 | 112.3° | 109.9° |
| C23 | C27 | H20 | 108.2° | 110.5° |
| N35 | C36 | H22 | 117.0° | 118.7° |
| C25 | O24 | C23 | 109.0° | 107.0° |
| O24 | C25 | H19 | 111.3° | 110.6° |
| C06 | C05 | C04 | 113.0° | 109.4° |
| C05 | C06 | N07 | 113.1° | 108.3° |
| C06 | C05 | H8 | 108.6° | 109.5° |
| C06 | C05 | H9 | 108.6° | 109.4° |
| C05 | C06 | H10 | 108.6° | 109.7° |
| C05 | C06 | H11 | 108.6° | 109.7° |
| C05 | C04 | N03 | 118.5° | 108.6° |
| C05 | C04 | H6 | 107.2° | 109.6° |
| C05 | C04 | H7 | 107.2° | 109.8° |
| C04 | C05 | H8 | 108.6° | 109.5° |
| C04 | C05 | H9 | 108.6° | 109.5° |
| O24 | C23 | C22 | 108.4° | 109.9° |
| O24 | C23 | H18 | 115.3° | 110.0° |
| C23 | C22 | N20 | 117.0° | 109.5° |
| C23 | C22 | H3 | 107.6° | 109.5° |
| C23 | C22 | H4 | 107.5° | 109.5° |
| C22 | C23 | H18 | 112.0° | 109.9° |
| C06 | N07 | C08 | 124.1° | 115.0° |
| N07 | C06 | H10 | 108.6° | 109.7° |
| N07 | C06 | H11 | 108.6° | 109.7° |
| C06 | N07 | H27 | 117.9° | 122.5° |
| C22 | N20 | C21 | 102.8° | 111.0° |
| C22 | N20 | C19 | 111.5° | 111.0° |
| N20 | C22 | H3 | 107.6° | 109.4° |
| N20 | C22 | H4 | 107.6° | 109.5° |
| N07 | C08 | N10 | 120.6° | 116.6° |
| N07 | C08 | O09 | 119.5° | 121.7° |
| C08 | N07 | H27 | 118.0° | 122.6° |
| N47 | C46 | N45 | 120.7° | 120.9° |
| N47 | C46 | C41 | 122.1° | 120.9° |
| C46 | N47 | H32 | 109.5° | 120.0° |
| C46 | N47 | H33 | 109.5° | 120.0° |
| C04 | N03 | C02 | 124.4° | 114.9° |
| N03 | C04 | H6 | 107.1° | 109.6° |
| N03 | C04 | H7 | 107.2° | 109.6° |
| C04 | N03 | H26 | 117.8° | 122.6° |
| N03 | C02 | C21 | 120.0° | 118.7° |
| N03 | C02 | O01 | 121.7° | 120.7° |
| C02 | N03 | H26 | 117.8° | 122.6° |
| N45 | C46 | C41 | 117.2° | 118.3° |
| C46 | N45 | C44 | 121.8° | 121.2° |
| C46 | C41 | N40 | 135.9° | 134.2° |
| C46 | C41 | C42 | 116.7° | 118.3° |
| C21 | C02 | O01 | 118.3° | 120.6° |
| C02 | C21 | N20 | 112.4° | 109.4° |
| C02 | C21 | H1 | 108.7° | 109.5° |
| C02 | C21 | H2 | 108.7° | 109.5° |
| C21 | N20 | C19 | 117.8° | 110.9° |
| N20 | C21 | H1 | 108.7° | 109.5° |
| N20 | C21 | H2 | 108.7° | 109.5° |
| N20 | C19 | C18 | 108.1° | 109.5° |
| N20 | C19 | H16 | 109.8° | 109.5° |
| N20 | C19 | H17 | 109.8° | 109.4° |
| N45 | C44 | N43 | 122.6° | 122.6° |
| N45 | C44 | H23 | 118.7° | 118.7° |
| C41 | N40 | C16 | 109.9° | 109.3° |
| N40 | C41 | C42 | 107.4° | 107.5° |
| N40 | C16 | C17 | 125.1° | 124.1° |
| N40 | C16 | N15 | 108.8° | 109.9° |
| N10 | C08 | O09 | 119.8° | 121.7° |
| C08 | N10 | C11 | 126.3° | 115.3° |
| C08 | N10 | H28 | 116.9° | 122.4° |
| C41 | C42 | N43 | 121.9° | 119.0° |
| C41 | C42 | N15 | 107.3° | 106.2° |
| N10 | C11 | C12 | 115.4° | 108.2° |
| N10 | C11 | H12 | 107.9° | 109.7° |
| N10 | C11 | H13 | 108.0° | 109.7° |
| C11 | N10 | H28 | 116.8° | 122.4° |
| C44 | N43 | C42 | 119.9° | 120.6° |
| N43 | C44 | H23 | 118.7° | 118.7° |
| C17 | C16 | N15 | 126.2° | 126.0° |
| C16 | C17 | C18 | 179.1° | 155.7° |
| C16 | N15 | C42 | 106.6° | 107.1° |
| C16 | N15 | C14 | 126.1° | 127.9° |
| C17 | C18 | C19 | 177.0° | 158.3° |
| N43 | C42 | N15 | 130.8° | 134.8° |
| C42 | N15 | C14 | 127.3° | 125.0° |
| C18 | C19 | H16 | 109.8° | 109.4° |
| C18 | C19 | H17 | 109.8° | 109.4° |
| N15 | C14 | O13 | 117.5° | 110.9° |
| N15 | C14 | C48 | 110.2° | 111.0° |
| N15 | C14 | H15 | 108.2° | 109.1° |
| C14 | O13 | C12 | 110.5° | 109.1° |
| O13 | C14 | C48 | 103.9° | 107.2° |
| O13 | C14 | H15 | 109.1° | 109.2° |
| O13 | C12 | C11 | 110.1° | 110.4° |
| O13 | C12 | C49 | 106.4° | 107.4° |
| O13 | C12 | H14 | 110.9° | 109.6° |
| C14 | C48 | C49 | 100.3° | 103.8° |
| C14 | C48 | O51 | 112.0° | 110.6° |
| C48 | C14 | H15 | 107.5° | 109.4° |
| C14 | C48 | H24 | 110.7° | 110.6° |
| C11 | C12 | C49 | 111.4° | 109.4° |
| C12 | C11 | H12 | 108.0° | 109.7° |
| C12 | C11 | H13 | 108.0° | 109.8° |
| C11 | C12 | H14 | 109.1° | 110.4° |
| C12 | C49 | C48 | 100.2° | 105.7° |
| C12 | C49 | O50 | 110.4° | 110.2° |
| C49 | C12 | H14 | 109.0° | 109.6° |
| C12 | C49 | H25 | 111.4° | 110.2° |
| C49 | C48 | O51 | 109.0° | 110.6° |
| C48 | C49 | O50 | 108.5° | 110.3° |
| C49 | C48 | H24 | 110.7° | 110.5° |
| C48 | C49 | H25 | 111.6° | 110.3° |
| O51 | C48 | H24 | 113.4° | 110.6° |
| C48 | O51 | H37 | 109.5° | 114.0° |
| O50 | C49 | H25 | 114.0° | 110.0° |
| C49 | O50 | H36 | 109.5° | 114.0° |
| H1 | C21 | H2 | 109.5° | 109.4° |
| H3 | C22 | H4 | 109.4° | 109.5° |
| H6 | C04 | H7 | 109.5° | 109.6° |
| H8 | C05 | H9 | 109.5° | 109.6° |
| H10 | C06 | H11 | 109.4° | 109.8° |
| H12 | C11 | H13 | 109.5° | 109.7° |
| H16 | C19 | H17 | 109.5° | 109.5° |
| H30 | N39 | H31 | 109.5° | 120.0° |
| H32 | N47 | H33 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N39 | C38 | C33 | N32 | 0.3° | 0.5° |
| N39 | C38 | C33 | N37 | 180.0° | 179.9° |
| N39 | C38 | C33 | C34 | 180.0° | 180.0° |
| N39 | C38 | N37 | C36 | 179.8° | 180.0° |
| C38 | N39 | H30 | H31 | 120.0° | 179.9° |
| N32 | C33 | C38 | C34 | 179.7° | 179.5° |
| N32 | C33 | C38 | N37 | 179.7° | 179.5° |
| C33 | N32 | C31 | N30 | 0.1° | 0.0° |
| N32 | C33 | C34 | N30 | 0.1° | 0.4° |
| N32 | C33 | C34 | N35 | 179.9° | 179.7° |
| C33 | N32 | C31 | H21 | 179.9° | 179.8° |
| C31 | N32 | C33 | C38 | 179.9° | 179.8° |
| C31 | N32 | C33 | C34 | 0.1° | 0.3° |
| N32 | C31 | N30 | H21 | 180.0° | 179.8° |
| N32 | C31 | N30 | C34 | 0.1° | 0.2° |
| N32 | C31 | N30 | C25 | 180.0° | 179.8° |
| C33 | C38 | N37 | C36 | 0.2° | 0.0° |
| C38 | C33 | C34 | N30 | 179.9° | 180.0° |
| C38 | C33 | C34 | N35 | 0.1° | 0.1° |
| C33 | C38 | N39 | H30 | 180.0° | 0.0° |
| C33 | C38 | N39 | H31 | 60.0° | 180.0° |
| N37 | C38 | C33 | C34 | 0.0° | 0.1° |
| C38 | N37 | C36 | N35 | 0.3° | 0.0° |
| C38 | N37 | C36 | H22 | 179.7° | 179.9° |
| N37 | C38 | N39 | H30 | 0.0° | 180.0° |
| N37 | C38 | N39 | H31 | 120.0° | 0.1° |
| C33 | C34 | N30 | C31 | 0.0° | 0.4° |
| C33 | C34 | N30 | N35 | 180.0° | 179.9° |
| C33 | C34 | N30 | C25 | 179.9° | 179.6° |
| C33 | C34 | N35 | C36 | 0.0° | 0.1° |
| C31 | N30 | C25 | C26 | 60.0° | 95.0° |
| C31 | N30 | C34 | C25 | 180.0° | 180.0° |
| C31 | N30 | C34 | N35 | 179.9° | 179.7° |
| C31 | N30 | C25 | O24 | 53.5° | 19.1° |
| C31 | N30 | C25 | H19 | 178.9° | 142.0° |
| N37 | C36 | N35 | C34 | 0.2° | 0.0° |
| N37 | C36 | N35 | H22 | 180.0° | 179.9° |
| O29 | C26 | C27 | C25 | 113.6° | 118.2° |
| O29 | C26 | C27 | H5 | 129.6° | 123.6° |
| O29 | C26 | C25 | H5 | 121.8° | 123.7° |
| O29 | C26 | C27 | O28 | 29.5° | 20.4° |
| O29 | C26 | C25 | N30 | 117.4° | 86.3° |
| O29 | C26 | C27 | C23 | 90.2° | 139.1° |
| O29 | C26 | C25 | O24 | 125.6° | 155.2° |
| O29 | C26 | C25 | H19 | 4.0° | 36.7° |
| O29 | C26 | C27 | H20 | 152.2° | 102.2° |
| C27 | C26 | C25 | H5 | 116.5° | 118.1° |
| C26 | C27 | O28 | C23 | 119.2° | 114.8° |
| C26 | C27 | O28 | H20 | 121.1° | 122.6° |
| C27 | C26 | C25 | N30 | 120.8° | 155.5° |
| C26 | C27 | C23 | H20 | 118.1° | 118.7° |
| C27 | C26 | C25 | O24 | 3.8° | 37.0° |
| C26 | C27 | C23 | O24 | 42.1° | 2.0° |
| C26 | C27 | C23 | C22 | 154.3° | 121.4° |
| C26 | C27 | C23 | H18 | 77.5° | 117.6° |
| C27 | C26 | C25 | H19 | 117.7° | 81.4° |
| C26 | C27 | O28 | H34 | 180.0° | 61.4° |
| C27 | C26 | O29 | H35 | 180.0° | 61.5° |
| C25 | C26 | C27 | O28 | 143.1° | 97.8° |
| C26 | C25 | N30 | C34 | 120.0° | 85.0° |
| C26 | C25 | N30 | O24 | 113.5° | 114.1° |
| C26 | C25 | N30 | H19 | 121.1° | 122.9° |
| C25 | C26 | C27 | C23 | 23.3° | 20.9° |
| C26 | C25 | O24 | H19 | 121.9° | 118.4° |
| C26 | C25 | O24 | C23 | 34.0° | 40.0° |
| C25 | C26 | C27 | H20 | 94.3° | 139.5° |
| C25 | C26 | O29 | H35 | 69.1° | 174.2° |
| O28 | C27 | C23 | H20 | 121.7° | 122.6° |
| O28 | C27 | C23 | O24 | 162.3° | 120.7° |
| O28 | C27 | C23 | C22 | 85.5° | 119.8° |
| O28 | C27 | C26 | H5 | 100.1° | 144.0° |
| O28 | C27 | C23 | H18 | 42.7° | 1.2° |
| N30 | C34 | N35 | C36 | 180.0° | 179.9° |
| C34 | N30 | C25 | O24 | 126.4° | 160.9° |
| C34 | N30 | C25 | H19 | 1.1° | 38.0° |
| C34 | N30 | C31 | H21 | 179.9° | 179.9° |
| N35 | C34 | N30 | C25 | 0.1° | 0.3° |
| C34 | N35 | C36 | H22 | 179.8° | 179.9° |
| N30 | C25 | O24 | H19 | 126.0° | 123.0° |
| N30 | C25 | O24 | C23 | 146.1° | 158.6° |
| N30 | C25 | C26 | H5 | 4.4° | 37.4° |
| C25 | N30 | C31 | H21 | 0.0° | 0.0° |
| C27 | C23 | O24 | C25 | 44.2° | 26.5° |
| C27 | C23 | O24 | C22 | 116.4° | 119.4° |
| C27 | C23 | O24 | H18 | 117.2° | 119.5° |
| C27 | C23 | C22 | H18 | 128.4° | 121.0° |
| C27 | C23 | C22 | N20 | 153.8° | 175.3° |
| C27 | C23 | C22 | H3 | 85.1° | 55.3° |
| C27 | C23 | C22 | H4 | 32.7° | 64.7° |
| C23 | C27 | C26 | H5 | 140.2° | 97.3° |
| C23 | C27 | O28 | H34 | 60.8° | 176.2° |
| C25 | O24 | C23 | C22 | 160.6° | 145.9° |
| O24 | C25 | C26 | H5 | 112.7° | 81.1° |
| C25 | O24 | C23 | H18 | 73.0° | 93.0° |
| C06 | C05 | C04 | H8 | 120.5° | 120.0° |
| C06 | C05 | C04 | H9 | 120.5° | 119.9° |
| C05 | C06 | N07 | H10 | 120.6° | 119.7° |
| C05 | C06 | N07 | H11 | 120.5° | 119.7° |
| C05 | C06 | N07 | C08 | 95.9° | 127.2° |
| C06 | C05 | C04 | N03 | 69.4° | 115.0° |
| C06 | C05 | C04 | H6 | 169.3° | 4.7° |
| C06 | C05 | C04 | H7 | 51.9° | 125.3° |
| C06 | C05 | H8 | H9 | 118.4° | 120.0° |
| C05 | C06 | H10 | H11 | 118.3° | 120.6° |
| C05 | C06 | N07 | H27 | 84.1° | 52.8° |
| C04 | C05 | C06 | N07 | 35.6° | 102.2° |
| C05 | C04 | N03 | H6 | 121.3° | 119.7° |
| C05 | C04 | N03 | H7 | 121.3° | 119.9° |
| C05 | C04 | N03 | C02 | 151.2° | 168.6° |
| C05 | C04 | H6 | H7 | 115.9° | 120.6° |
| C04 | C05 | H8 | H9 | 118.4° | 120.0° |
| C04 | C05 | C06 | H10 | 85.0° | 138.2° |
| C04 | C05 | C06 | H11 | 156.2° | 17.5° |
| C05 | C04 | N03 | H26 | 28.8° | 11.3° |
| O24 | C23 | C22 | H18 | 128.3° | 121.2° |
| O24 | C23 | C22 | N20 | 50.5° | 66.9° |
| O24 | C23 | C22 | H3 | 171.6° | 173.2° |
| O24 | C23 | C22 | H4 | 70.6° | 53.1° |
| C23 | O24 | C25 | H19 | 87.9° | 78.4° |
| O24 | C23 | C27 | H20 | 76.0° | 116.7° |
| C23 | C22 | N20 | H3 | 121.1° | 120.0° |
| C23 | C22 | N20 | H4 | 121.1° | 120.0° |
| C23 | C22 | N20 | C21 | 151.0° | 170.0° |
| C23 | C22 | N20 | C19 | 81.9° | 66.2° |
| C23 | C22 | H3 | H4 | 116.6° | 120.0° |
| C22 | C23 | C27 | H20 | 36.2° | 2.8° |
| C06 | N07 | C08 | H27 | 180.0° | 180.0° |
| C06 | N07 | C08 | N10 | 178.7° | 179.1° |
| C06 | N07 | C08 | O09 | 1.1° | 1.0° |
| N07 | C06 | C05 | H8 | 84.9° | 17.8° |
| N07 | C06 | C05 | H9 | 156.2° | 137.9° |
| N07 | C06 | H10 | H11 | 118.3° | 120.6° |
| C22 | N20 | C21 | C02 | 115.5° | 106.0° |
| C22 | N20 | C21 | C19 | 122.9° | 123.9° |
| C22 | N20 | C19 | C18 | 56.7° | 104.1° |
| C22 | N20 | C21 | H1 | 5.0° | 14.0° |
| C22 | N20 | C21 | H2 | 124.1° | 134.0° |
| N20 | C22 | H3 | H4 | 116.6° | 120.0° |
| C22 | N20 | C19 | H16 | 63.1° | 135.9° |
| C22 | N20 | C19 | H17 | 176.5° | 15.9° |
| N20 | C22 | C23 | H18 | 77.8° | 54.3° |
| N07 | C08 | N10 | O09 | 179.8° | 180.0° |
| N07 | C08 | N10 | C11 | 179.2° | 177.4° |
| C08 | N07 | C06 | H10 | 24.6° | 113.2° |
| C08 | N07 | C06 | H11 | 143.5° | 7.4° |
| N07 | C08 | N10 | H28 | 0.8° | 2.6° |
| N47 | C46 | N45 | C41 | 179.4° | 180.0° |
| N47 | C46 | N45 | C44 | 179.6° | 180.0° |
| N47 | C46 | C41 | N40 | 0.2° | 0.0° |
| N47 | C46 | C41 | C42 | 179.9° | 179.6° |
| C46 | N47 | H32 | H33 | 120.0° | 179.8° |
| C04 | N03 | C02 | H26 | 180.0° | 179.9° |
| C04 | N03 | C02 | C21 | 179.7° | 179.7° |
| C04 | N03 | C02 | O01 | 0.3° | 0.3° |
| N03 | C04 | H6 | H7 | 115.9° | 120.3° |
| N03 | C04 | C05 | H8 | 51.1° | 5.0° |
| N03 | C04 | C05 | H9 | 170.0° | 125.1° |
| N03 | C02 | C21 | O01 | 179.4° | 180.0° |
| N03 | C02 | C21 | N20 | 28.2° | 107.1° |
| N03 | C02 | C21 | H1 | 92.3° | 132.9° |
| N03 | C02 | C21 | H2 | 148.6° | 12.9° |
| C02 | N03 | C04 | H6 | 29.9° | 48.9° |
| C02 | N03 | C04 | H7 | 87.5° | 71.5° |
| N45 | C46 | C41 | N40 | 179.6° | 180.0° |
| N45 | C46 | C41 | C42 | 0.6° | 0.3° |
| C46 | N45 | C44 | N43 | 0.8° | 0.2° |
| C46 | N45 | C44 | H23 | 179.2° | 179.9° |
| N45 | C46 | N47 | H32 | 0.0° | 0.1° |
| N45 | C46 | N47 | H33 | 120.0° | 180.0° |
| C41 | C46 | N45 | C44 | 1.0° | 0.1° |
| C46 | C41 | N40 | C42 | 179.9° | 179.7° |
| C46 | C41 | N40 | C16 | 179.7° | 179.9° |
| C46 | C41 | C42 | N43 | 0.0° | 0.7° |
| C46 | C41 | C42 | N15 | 179.8° | 179.5° |
| C41 | C46 | N47 | H32 | 179.4° | 179.9° |
| C41 | C46 | N47 | H33 | 60.7° | 0.1° |
| C02 | C21 | N20 | H1 | 120.5° | 120.0° |
| C02 | C21 | N20 | H2 | 120.4° | 120.0° |
| C02 | C21 | N20 | C19 | 121.6° | 130.1° |
| C02 | C21 | H1 | H2 | 118.7° | 120.0° |
| C21 | C02 | N03 | H26 | 0.3° | 0.4° |
| O01 | C02 | C21 | N20 | 152.4° | 73.0° |
| O01 | C02 | C21 | H1 | 87.1° | 47.0° |
| O01 | C02 | C21 | H2 | 32.0° | 167.0° |
| O01 | C02 | N03 | H26 | 179.7° | 179.7° |
| C21 | N20 | C19 | C18 | 175.1° | 132.1° |
| N20 | C21 | H1 | H2 | 118.6° | 120.0° |
| C21 | N20 | C22 | H3 | 87.9° | 70.1° |
| C21 | N20 | C22 | H4 | 29.9° | 49.9° |
| C21 | N20 | C19 | H16 | 55.3° | 12.1° |
| C21 | N20 | C19 | H17 | 65.1° | 107.9° |
| N20 | C19 | C18 | C17 | 177.8° | 106.7° |
| N20 | C19 | C18 | H16 | 119.8° | 120.0° |
| N20 | C19 | C18 | H17 | 119.8° | 120.0° |
| C19 | N20 | C21 | H1 | 118.0° | 109.9° |
| C19 | N20 | C21 | H2 | 1.2° | 10.1° |
| C19 | N20 | C22 | H3 | 39.2° | 53.7° |
| C19 | N20 | C22 | H4 | 157.0° | 173.7° |
| N20 | C19 | H16 | H17 | 120.6° | 120.0° |
| N45 | C44 | N43 | H23 | 180.0° | 179.9° |
| N45 | C44 | N43 | C42 | 0.2° | 0.2° |
| C41 | N40 | C16 | C17 | 179.9° | 179.3° |
| C41 | N40 | C16 | N15 | 0.5° | 0.9° |
| N40 | C41 | C42 | N43 | 179.9° | 179.6° |
| N40 | C41 | C42 | N15 | 0.3° | 0.2° |
| C16 | N40 | C41 | C42 | 0.1° | 0.4° |
| N40 | C16 | C17 | N15 | 179.5° | 179.8° |
| N40 | C16 | C17 | C18 | 60.6° | 1.9° |
| N40 | C16 | N15 | C42 | 0.7° | 1.1° |
| N40 | C16 | N15 | C14 | 179.7° | 178.0° |
| C08 | N10 | C11 | H28 | 180.0° | 179.9° |
| C08 | N10 | C11 | C12 | 105.1° | 167.6° |
| C08 | N10 | C11 | H12 | 134.0° | 47.9° |
| C08 | N10 | C11 | H13 | 15.7° | 72.7° |
| N10 | C08 | N07 | H27 | 1.3° | 1.0° |
| O09 | C08 | N10 | C11 | 1.0° | 2.5° |
| O09 | C08 | N07 | H27 | 178.9° | 179.0° |
| O09 | C08 | N10 | H28 | 179.0° | 177.4° |
| C41 | C42 | N43 | C44 | 0.2° | 0.6° |
| C41 | C42 | N15 | C16 | 0.6° | 0.8° |
| C41 | C42 | N43 | N15 | 179.8° | 179.7° |
| C41 | C42 | N15 | C14 | 179.6° | 178.3° |
| N10 | C11 | C12 | O13 | 46.8° | 138.6° |
| N10 | C11 | C12 | H12 | 120.8° | 119.7° |
| N10 | C11 | C12 | H13 | 120.9° | 119.7° |
| N10 | C11 | C12 | C49 | 164.6° | 20.7° |
| N10 | C11 | H12 | H13 | 117.3° | 120.6° |
| N10 | C11 | C12 | H14 | 75.0° | 100.0° |
| C44 | N43 | C42 | N15 | 179.6° | 179.7° |
| C17 | C16 | N15 | C42 | 179.7° | 179.2° |
| C16 | C17 | C18 | C19 | 30.7° | 6.1° |
| C17 | C16 | N15 | C14 | 0.7° | 1.8° |
| N15 | C16 | C17 | C18 | 118.9° | 177.9° |
| C16 | N15 | C42 | N43 | 179.6° | 179.0° |
| C16 | N15 | C42 | C14 | 179.0° | 179.1° |
| C16 | N15 | C14 | O13 | 57.5° | 84.4° |
| C16 | N15 | C14 | C48 | 61.2° | 34.6° |
| C16 | N15 | C14 | H15 | 178.5° | 155.3° |
| C17 | C18 | C19 | H16 | 58.0° | 133.3° |
| C17 | C18 | C19 | H17 | 62.4° | 13.3° |
| N43 | C42 | N15 | C14 | 0.6° | 1.9° |
| C42 | N43 | C44 | H23 | 179.8° | 179.7° |
| C42 | N15 | C14 | O13 | 121.3° | 96.7° |
| C42 | N15 | C14 | C48 | 120.0° | 144.3° |
| C42 | N15 | C14 | H15 | 2.7° | 23.6° |
| C18 | C19 | H16 | H17 | 120.6° | 120.0° |
| N15 | C14 | O13 | C48 | 122.0° | 121.3° |
| N15 | C14 | O13 | H15 | 123.6° | 120.3° |
| N15 | C14 | O13 | C12 | 147.5° | 148.9° |
| N15 | C14 | C48 | H15 | 117.7° | 120.5° |
| N15 | C14 | C48 | C49 | 167.9° | 142.6° |
| N15 | C14 | C48 | O51 | 76.7° | 98.8° |
| N15 | C14 | C48 | H24 | 51.0° | 24.1° |
| O13 | C14 | C48 | H15 | 115.5° | 118.3° |
| C14 | O13 | C12 | C11 | 119.8° | 141.2° |
| C14 | O13 | C12 | C49 | 1.0° | 22.0° |
| O13 | C14 | C48 | C49 | 41.2° | 21.4° |
| O13 | C14 | C48 | O51 | 156.6° | 140.0° |
| C14 | O13 | C12 | H14 | 119.4° | 97.0° |
| O13 | C14 | C48 | H24 | 75.8° | 97.2° |
| C12 | O13 | C14 | C48 | 25.4° | 27.6° |
| O13 | C12 | C11 | C49 | 117.7° | 117.9° |
| O13 | C12 | C11 | H14 | 121.9° | 121.4° |
| O13 | C12 | C49 | H14 | 119.6° | 119.0° |
| O13 | C12 | C49 | C48 | 26.6° | 7.7° |
| O13 | C12 | C49 | O50 | 87.6° | 126.8° |
| O13 | C12 | C11 | H12 | 74.0° | 18.9° |
| O13 | C12 | C11 | H13 | 167.7° | 101.7° |
| C12 | O13 | C14 | H15 | 89.0° | 90.8° |
| O13 | C12 | C49 | H25 | 144.8° | 111.5° |
| C14 | C48 | C49 | C12 | 40.0° | 8.1° |
| C14 | C48 | C49 | O51 | 117.7° | 118.6° |
| C14 | C48 | C49 | H24 | 117.0° | 118.6° |
| C14 | C48 | O51 | H24 | 126.2° | 122.8° |
| C14 | C48 | C49 | O50 | 75.7° | 111.0° |
| C14 | C48 | C49 | H25 | 158.0° | 127.3° |
| C14 | C48 | O51 | H37 | 180.0° | 179.9° |
| C11 | C12 | C49 | H14 | 120.4° | 121.2° |
| C11 | C12 | C49 | C48 | 93.3° | 127.4° |
| C11 | C12 | C49 | O50 | 152.5° | 113.4° |
| C12 | C11 | H12 | H13 | 117.3° | 120.6° |
| C11 | C12 | C49 | H25 | 24.9° | 8.2° |
| C12 | C11 | N10 | H28 | 74.9° | 12.5° |
| C12 | C49 | C48 | O50 | 115.6° | 119.1° |
| C12 | C49 | C48 | H25 | 118.0° | 119.2° |
| C12 | C49 | C48 | O51 | 157.7° | 126.7° |
| C12 | C49 | O50 | H25 | 126.2° | 121.8° |
| C49 | C12 | C11 | H12 | 43.8° | 98.9° |
| C49 | C12 | C11 | H13 | 74.5° | 140.4° |
| C12 | C49 | C48 | H24 | 77.0° | 110.5° |
| C12 | C49 | O50 | H36 | 180.0° | 180.0° |
| C49 | C48 | O51 | H24 | 123.8° | 122.7° |
| C48 | C49 | O50 | H25 | 125.0° | 121.9° |
| C48 | C49 | C12 | H14 | 146.3° | 111.3° |
| C49 | C48 | C14 | H15 | 74.3° | 96.9° |
| C48 | C49 | O50 | H36 | 71.2° | 63.6° |
| C49 | C48 | O51 | H37 | 70.0° | 65.5° |
| O51 | C48 | C49 | O50 | 42.0° | 7.6° |
| O51 | C48 | C14 | H15 | 41.1° | 21.7° |
| O51 | C48 | C49 | H25 | 84.3° | 114.1° |
| O50 | C49 | C12 | H14 | 32.1° | 7.8° |
| O50 | C49 | C48 | H24 | 167.4° | 130.4° |
| H3 | C22 | C23 | H18 | 43.3° | 65.7° |
| H4 | C22 | C23 | H18 | 161.1° | 174.3° |
| H5 | C26 | C25 | H19 | 125.8° | 160.4° |
| H5 | C26 | C27 | H20 | 22.6° | 21.4° |
| H5 | C26 | O29 | H35 | 51.5° | 62.1° |
| H6 | C04 | C05 | H8 | 70.2° | 124.7° |
| H6 | C04 | C05 | H9 | 48.8° | 115.2° |
| H6 | C04 | N03 | H26 | 150.1° | 131.0° |
| H7 | C04 | C05 | H8 | 172.4° | 114.8° |
| H7 | C04 | C05 | H9 | 68.7° | 5.3° |
| H7 | C04 | N03 | H26 | 92.5° | 108.6° |
| H8 | C05 | C06 | H10 | 154.5° | 101.9° |
| H8 | C05 | C06 | H11 | 35.7° | 137.5° |
| H9 | C05 | C06 | H10 | 35.6° | 18.2° |
| H9 | C05 | C06 | H11 | 83.3° | 102.4° |
| H10 | C06 | N07 | H27 | 155.4° | 66.9° |
| H11 | C06 | N07 | H27 | 36.5° | 172.5° |
| H12 | C11 | C12 | H14 | 164.2° | 140.3° |
| H12 | C11 | N10 | H28 | 46.0° | 132.2° |
| H13 | C11 | C12 | H14 | 45.9° | 19.7° |
| H13 | C11 | N10 | H28 | 164.3° | 107.2° |
| H14 | C12 | C49 | H25 | 95.6° | 129.5° |
| H15 | C14 | C48 | H24 | 168.7° | 144.6° |
| H18 | C23 | C27 | H20 | 164.4° | 123.8° |
| H20 | C27 | O28 | H34 | 58.9° | 61.2° |
| H24 | C48 | C49 | H25 | 41.0° | 8.7° |
| H24 | C48 | O51 | H37 | 53.8° | 57.2° |
| H25 | C49 | O50 | H36 | 53.8° | 58.3° |
