6VQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N53 | C52 | sing | 1.37Å | 1.42Å | |
| C52 | N54 | doub | 1.32Å | 1.38Å | |
| C52 | N51 | sing | 1.36Å | 1.41Å | |
| N54 | C55 | sing | 1.34Å | 1.42Å | |
| N51 | C50 | sing | 1.37Å | 1.37Å | |
| C55 | O56 | doub | 1.22Å | 1.21Å | |
| C55 | C57 | sing | 1.47Å | 1.48Å | |
| C50 | C57 | doub | 1.39Å | 1.42Å | Aromatic |
| C50 | N04 | sing | 1.36Å | 1.42Å | Aromatic |
| C57 | N02 | sing | 1.35Å | 1.42Å | Aromatic |
| N04 | C05 | sing | 1.47Å | 1.61Å | |
| N04 | C03 | sing | 1.36Å | 1.42Å | Aromatic |
| N02 | C03 | doub | 1.30Å | 1.39Å | Aromatic |
| N02 | C01 | sing | 1.47Å | 1.49Å | |
| C05 | C48 | sing | 1.55Å | 1.56Å | |
| C05 | O06 | sing | 1.44Å | 1.41Å | |
| O49 | C48 | sing | 1.43Å | 1.40Å | |
| C48 | C46 | sing | 1.55Å | 1.53Å | |
| O06 | C07 | sing | 1.44Å | 1.46Å | |
| C46 | C07 | sing | 1.54Å | 1.56Å | |
| C46 | O47 | sing | 1.43Å | 1.39Å | |
| C07 | C08 | sing | 1.53Å | 1.59Å | |
| O09 | C08 | sing | 1.43Å | 1.34Å | |
| O09 | P10 | sing | 1.61Å | 1.79Å | |
| O11 | P10 | doub | 1.48Å | 1.49Å | |
| S12 | P10 | sing | 2.12Å | 1.94Å | |
| P10 | O13 | sing | 1.61Å | 1.55Å | |
| O45 | C44 | sing | 1.43Å | 1.40Å | |
| O43 | C42 | sing | 1.43Å | 1.40Å | |
| O13 | P14 | sing | 1.61Å | 1.83Å | |
| C44 | C42 | sing | 1.55Å | 1.53Å | |
| C44 | C27 | sing | 1.54Å | 1.58Å | |
| C42 | C29 | sing | 1.55Å | 1.55Å | |
| O15 | P14 | doub | 1.48Å | 1.49Å | |
| C27 | O28 | sing | 1.44Å | 1.45Å | |
| C27 | C26 | sing | 1.53Å | 1.62Å | |
| P14 | O17 | sing | 1.61Å | 1.64Å | |
| P14 | O16 | sing | 1.61Å | 1.49Å | |
| C29 | O28 | sing | 1.44Å | 1.41Å | |
| C29 | N30 | sing | 1.47Å | 1.56Å | |
| O19 | P18 | doub | 1.48Å | 1.49Å | |
| C26 | O25 | sing | 1.43Å | 1.36Å | |
| O17 | P18 | sing | 1.61Å | 1.66Å | |
| N30 | C31 | sing | 1.36Å | 1.39Å | Aromatic |
| N30 | C41 | sing | 1.36Å | 1.44Å | Aromatic |
| O25 | P22 | sing | 1.61Å | 1.85Å | |
| P18 | O20 | sing | 1.61Å | 1.50Å | |
| P18 | O21 | sing | 1.61Å | 1.82Å | |
| N40 | C41 | sing | 1.37Å | 1.38Å | |
| N40 | C38 | sing | 1.36Å | 1.41Å | |
| C31 | N32 | doub | 1.30Å | 1.39Å | Aromatic |
| C41 | C34 | doub | 1.39Å | 1.41Å | Aromatic |
| N39 | C38 | sing | 1.37Å | 1.43Å | |
| O21 | P22 | sing | 1.61Å | 1.56Å | |
| C38 | N37 | doub | 1.32Å | 1.37Å | |
| N32 | C34 | sing | 1.35Å | 1.41Å | Aromatic |
| N32 | C33 | sing | 1.47Å | 1.49Å | |
| C34 | C35 | sing | 1.47Å | 1.47Å | |
| P22 | O23 | doub | 1.48Å | 1.48Å | |
| P22 | S24 | sing | 2.12Å | 1.94Å | |
| N37 | C35 | sing | 1.34Å | 1.42Å | |
| C35 | O36 | doub | 1.22Å | 1.21Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.08Å | 1.08Å | |
| C05 | H5 | sing | 1.09Å | 1.10Å | |
| C07 | H6 | sing | 1.09Å | 1.10Å | |
| C08 | H7 | sing | 1.09Å | 1.10Å | |
| C08 | H8 | sing | 1.09Å | 1.10Å | |
| S12 | H9 | sing | 1.35Å | 1.30Å | |
| O16 | H10 | sing | 0.97Å | 0.95Å | |
| O20 | H11 | sing | 0.97Å | 0.95Å | |
| S24 | H12 | sing | 1.34Å | 1.30Å | |
| C26 | H13 | sing | 1.09Å | 1.10Å | |
| C26 | H14 | sing | 1.09Å | 1.10Å | |
| C27 | H15 | sing | 1.09Å | 1.10Å | |
| C29 | H16 | sing | 1.09Å | 1.10Å | |
| C31 | H17 | sing | 1.08Å | 1.08Å | |
| C33 | H18 | sing | 1.09Å | 1.10Å | |
| C33 | H19 | sing | 1.09Å | 1.10Å | |
| C33 | H20 | sing | 1.09Å | 1.10Å | |
| N39 | H21 | sing | 0.97Å | 1.00Å | |
| N39 | H22 | sing | 0.97Å | 1.00Å | |
| N40 | H23 | sing | 0.97Å | 1.00Å | |
| C42 | H24 | sing | 1.09Å | 1.10Å | |
| O43 | H25 | sing | 0.97Å | 0.95Å | |
| C44 | H26 | sing | 1.09Å | 1.10Å | |
| O45 | H27 | sing | 0.97Å | 0.95Å | |
| C46 | H28 | sing | 1.09Å | 1.10Å | |
| O47 | H29 | sing | 0.97Å | 0.95Å | |
| C48 | H30 | sing | 1.09Å | 1.10Å | |
| O49 | H31 | sing | 0.97Å | 0.95Å | |
| N51 | H32 | sing | 0.97Å | 1.00Å | |
| N53 | H33 | sing | 0.97Å | 1.00Å | |
| N53 | H34 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N53 | C52 | N54 | 118.4° | 118.7° |
| N53 | C52 | N51 | 118.2° | 118.7° |
| C52 | N53 | H33 | 120.0° | 120.0° |
| C52 | N53 | H34 | 120.0° | 120.0° |
| N54 | C52 | N51 | 123.4° | 122.6° |
| C52 | N54 | C55 | 122.4° | 121.3° |
| C52 | N51 | C50 | 114.4° | 120.5° |
| C52 | N51 | H32 | 122.8° | 119.8° |
| N54 | C55 | O56 | 120.9° | 120.7° |
| N54 | C55 | C57 | 116.1° | 118.6° |
| N51 | C50 | C57 | 127.2° | 118.9° |
| N51 | C50 | N04 | 127.0° | 134.7° |
| C50 | N51 | H32 | 122.8° | 119.7° |
| O56 | C55 | C57 | 123.0° | 120.7° |
| C55 | C57 | C50 | 116.5° | 118.1° |
| C55 | C57 | N02 | 133.5° | 134.5° |
| C57 | C50 | N04 | 105.8° | 106.4° |
| C50 | C57 | N02 | 110.0° | 107.4° |
| C50 | N04 | C05 | 133.6° | 126.2° |
| C50 | N04 | C03 | 108.2° | 107.5° |
| C57 | N02 | C03 | 106.4° | 109.2° |
| C57 | N02 | C01 | 127.4° | 125.4° |
| C05 | N04 | C03 | 118.2° | 126.2° |
| N04 | C05 | C48 | 100.0° | 110.6° |
| N04 | C05 | O06 | 127.3° | 110.7° |
| N04 | C05 | H5 | 107.0° | 110.6° |
| N04 | C03 | N02 | 109.7° | 109.6° |
| N04 | C03 | H4 | 125.1° | 125.2° |
| C03 | N02 | C01 | 126.3° | 125.4° |
| N02 | C03 | H4 | 125.2° | 125.2° |
| N02 | C01 | H1 | 109.5° | 109.4° |
| N02 | C01 | H2 | 109.5° | 109.4° |
| N02 | C01 | H3 | 109.5° | 109.5° |
| C48 | C05 | O06 | 103.7° | 103.5° |
| C05 | C48 | O49 | 110.4° | 110.9° |
| C05 | C48 | C46 | 104.8° | 102.1° |
| C48 | C05 | H5 | 107.6° | 110.6° |
| C05 | C48 | H30 | 108.8° | 110.9° |
| C05 | O06 | C07 | 112.7° | 107.0° |
| O06 | C05 | H5 | 109.5° | 110.7° |
| O49 | C48 | C46 | 112.5° | 110.9° |
| O49 | C48 | H30 | 110.9° | 110.8° |
| C48 | O49 | H31 | 109.5° | 114.1° |
| C48 | C46 | C07 | 102.4° | 104.2° |
| C48 | C46 | O47 | 111.0° | 110.5° |
| C48 | C46 | H28 | 110.0° | 110.6° |
| C46 | C48 | H30 | 109.2° | 110.9° |
| O06 | C07 | C46 | 105.9° | 107.3° |
| O06 | C07 | C08 | 113.6° | 109.9° |
| O06 | C07 | H6 | 110.2° | 109.9° |
| C07 | C46 | O47 | 111.2° | 110.5° |
| C46 | C07 | C08 | 109.8° | 109.8° |
| C46 | C07 | H6 | 108.9° | 110.0° |
| C07 | C46 | H28 | 109.6° | 110.5° |
| O47 | C46 | H28 | 112.2° | 110.5° |
| C46 | O47 | H29 | 109.5° | 114.0° |
| C07 | C08 | O09 | 109.7° | 109.4° |
| C08 | C07 | H6 | 108.5° | 109.9° |
| C07 | C08 | H7 | 109.4° | 109.5° |
| C07 | C08 | H8 | 109.4° | 109.5° |
| C08 | O09 | P10 | 125.5° | 123.0° |
| O09 | C08 | H7 | 109.4° | 109.4° |
| O09 | C08 | H8 | 109.4° | 109.4° |
| O09 | P10 | O11 | 98.0° | 109.5° |
| O09 | P10 | S12 | 108.1° | 109.5° |
| O09 | P10 | O13 | 102.4° | 109.4° |
| O11 | P10 | S12 | 114.9° | 109.5° |
| O11 | P10 | O13 | 114.3° | 109.5° |
| S12 | P10 | O13 | 116.2° | 109.5° |
| P10 | S12 | H9 | 102.0° | 103.0° |
| P10 | O13 | P14 | 136.1° | 134.0° |
| O45 | C44 | C42 | 103.5° | 110.5° |
| O45 | C44 | C27 | 113.2° | 110.5° |
| O45 | C44 | H26 | 113.7° | 110.6° |
| C44 | O45 | H27 | 109.5° | 114.0° |
| O43 | C42 | C44 | 108.2° | 110.9° |
| O43 | C42 | C29 | 113.0° | 110.9° |
| O43 | C42 | H24 | 113.2° | 110.8° |
| C42 | O43 | H25 | 109.5° | 114.0° |
| O13 | P14 | O15 | 96.7° | 109.5° |
| O13 | P14 | O17 | 117.5° | 109.5° |
| O13 | P14 | O16 | 103.0° | 109.5° |
| C42 | C44 | C27 | 103.3° | 104.2° |
| C44 | C42 | C29 | 99.7° | 102.1° |
| C44 | C42 | H24 | 111.2° | 111.0° |
| C42 | C44 | H26 | 111.5° | 110.5° |
| C44 | C27 | O28 | 101.5° | 107.3° |
| C44 | C27 | C26 | 111.7° | 109.9° |
| C44 | C27 | H15 | 109.5° | 110.0° |
| C27 | C44 | H26 | 110.9° | 110.5° |
| C42 | C29 | O28 | 107.7° | 103.4° |
| C42 | C29 | N30 | 108.8° | 110.6° |
| C42 | C29 | H16 | 107.2° | 110.8° |
| C29 | C42 | H24 | 110.8° | 110.9° |
| O15 | P14 | O17 | 106.2° | 109.5° |
| O15 | P14 | O16 | 119.1° | 109.5° |
| O28 | C27 | C26 | 113.6° | 109.9° |
| C27 | O28 | C29 | 112.2° | 107.0° |
| O28 | C27 | H15 | 111.3° | 109.9° |
| C27 | C26 | O25 | 113.5° | 109.5° |
| C27 | C26 | H13 | 108.4° | 109.5° |
| C27 | C26 | H14 | 108.5° | 109.5° |
| C26 | C27 | H15 | 109.0° | 109.9° |
| O17 | P14 | O16 | 113.6° | 109.5° |
| P14 | O17 | P18 | 131.9° | 134.0° |
| P14 | O16 | H10 | 109.5° | 114.0° |
| O28 | C29 | N30 | 116.5° | 110.6° |
| O28 | C29 | H16 | 109.1° | 110.6° |
| C29 | N30 | C31 | 127.4° | 126.3° |
| C29 | N30 | C41 | 125.3° | 126.2° |
| N30 | C29 | H16 | 107.2° | 110.6° |
| O19 | P18 | O17 | 110.8° | 109.5° |
| O19 | P18 | O20 | 115.9° | 109.5° |
| O19 | P18 | O21 | 102.1° | 109.5° |
| C26 | O25 | P22 | 125.5° | 123.0° |
| O25 | C26 | H13 | 108.5° | 109.4° |
| O25 | C26 | H14 | 108.4° | 109.5° |
| O17 | P18 | O20 | 115.4° | 109.5° |
| O17 | P18 | O21 | 103.7° | 109.5° |
| C31 | N30 | C41 | 107.3° | 107.5° |
| N30 | C31 | N32 | 110.9° | 109.6° |
| N30 | C31 | H17 | 124.6° | 125.2° |
| N30 | C41 | N40 | 128.2° | 134.7° |
| N30 | C41 | C34 | 105.7° | 106.4° |
| O25 | P22 | O21 | 111.0° | 109.5° |
| O25 | P22 | O23 | 97.1° | 109.5° |
| O25 | P22 | S24 | 107.1° | 109.5° |
| O20 | P18 | O21 | 107.2° | 109.5° |
| P18 | O20 | H11 | 109.5° | 114.0° |
| P18 | O21 | P22 | 134.4° | 134.0° |
| C41 | N40 | C38 | 114.2° | 120.5° |
| N40 | C41 | C34 | 126.1° | 118.9° |
| C41 | N40 | H23 | 122.9° | 119.7° |
| N40 | C38 | N39 | 117.8° | 118.7° |
| N40 | C38 | N37 | 123.7° | 122.6° |
| C38 | N40 | H23 | 122.9° | 119.8° |
| C31 | N32 | C34 | 106.1° | 109.1° |
| C31 | N32 | C33 | 126.2° | 125.4° |
| N32 | C31 | H17 | 124.6° | 125.2° |
| C41 | C34 | N32 | 110.1° | 107.4° |
| C41 | C34 | C35 | 117.8° | 118.1° |
| N39 | C38 | N37 | 118.5° | 118.7° |
| C38 | N39 | H21 | 120.0° | 120.0° |
| C38 | N39 | H22 | 120.0° | 120.0° |
| O21 | P22 | O23 | 109.9° | 109.5° |
| O21 | P22 | S24 | 115.9° | 109.5° |
| C38 | N37 | C35 | 122.7° | 121.3° |
| C34 | N32 | C33 | 127.7° | 125.4° |
| N32 | C34 | C35 | 132.1° | 134.5° |
| N32 | C33 | H18 | 109.5° | 109.5° |
| N32 | C33 | H19 | 109.4° | 109.5° |
| N32 | C33 | H20 | 109.5° | 109.5° |
| C34 | C35 | N37 | 115.4° | 118.6° |
| C34 | C35 | O36 | 123.4° | 120.7° |
| O23 | P22 | S24 | 114.2° | 109.5° |
| P22 | S24 | H12 | 102.0° | 103.0° |
| N37 | C35 | O36 | 121.3° | 120.7° |
| H1 | C01 | H2 | 109.5° | 109.4° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.4° | 109.5° |
| H7 | C08 | H8 | 109.5° | 109.5° |
| H13 | C26 | H14 | 109.5° | 109.5° |
| H18 | C33 | H19 | 109.5° | 109.5° |
| H18 | C33 | H20 | 109.5° | 109.5° |
| H19 | C33 | H20 | 109.5° | 109.4° |
| H21 | N39 | H22 | 120.0° | 120.0° |
| H33 | N53 | H34 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N53 | C52 | N54 | N51 | 179.9° | 179.9° |
| N53 | C52 | N54 | C55 | 180.0° | 180.0° |
| N53 | C52 | N51 | C50 | 180.0° | 180.0° |
| N53 | C52 | N51 | H32 | 0.1° | 0.0° |
| C52 | N53 | H33 | H34 | 179.9° | 180.0° |
| N54 | C52 | N51 | C50 | 0.1° | 0.1° |
| C52 | N54 | C55 | O56 | 180.0° | 179.9° |
| C52 | N54 | C55 | C57 | 0.1° | 0.1° |
| N54 | C52 | N51 | H32 | 179.9° | 180.0° |
| N54 | C52 | N53 | H33 | 0.0° | 0.1° |
| N54 | C52 | N53 | H34 | 180.0° | 180.0° |
| N51 | C52 | N54 | C55 | 0.1° | 0.1° |
| C52 | N51 | C50 | H32 | 180.0° | 179.9° |
| C52 | N51 | C50 | C57 | 0.0° | 0.1° |
| C52 | N51 | C50 | N04 | 179.9° | 179.5° |
| N51 | C52 | N53 | H33 | 180.0° | 180.0° |
| N51 | C52 | N53 | H34 | 0.1° | 0.0° |
| N54 | C55 | O56 | C57 | 179.9° | 180.0° |
| N54 | C55 | C57 | C50 | 0.1° | 0.1° |
| N54 | C55 | C57 | N02 | 180.0° | 180.0° |
| N51 | C50 | C57 | C55 | 0.1° | 0.1° |
| N51 | C50 | C57 | N04 | 179.9° | 179.7° |
| N51 | C50 | C57 | N02 | 180.0° | 180.0° |
| N51 | C50 | N04 | C05 | 0.4° | 0.1° |
| N51 | C50 | N04 | C03 | 180.0° | 179.8° |
| O56 | C55 | C57 | C50 | 179.9° | 180.0° |
| O56 | C55 | C57 | N02 | 0.1° | 0.0° |
| C55 | C57 | C50 | N02 | 179.9° | 180.0° |
| C55 | C57 | C50 | N04 | 180.0° | 179.6° |
| C55 | C57 | N02 | C03 | 180.0° | 179.6° |
| C55 | C57 | N02 | C01 | 0.0° | 0.1° |
| C57 | C50 | N04 | C05 | 179.7° | 179.7° |
| C57 | C50 | N04 | C03 | 0.1° | 0.2° |
| C50 | C57 | N02 | C03 | 0.1° | 0.4° |
| C50 | C57 | N02 | C01 | 179.9° | 179.9° |
| C57 | C50 | N51 | H32 | 180.0° | 180.0° |
| N04 | C50 | C57 | N02 | 0.1° | 0.3° |
| C50 | N04 | C05 | C03 | 179.5° | 179.9° |
| C50 | N04 | C03 | N02 | 0.1° | 0.0° |
| C50 | N04 | C05 | C48 | 118.6° | 85.0° |
| C50 | N04 | C05 | O06 | 125.6° | 160.9° |
| C50 | N04 | C03 | H4 | 179.9° | 180.0° |
| C50 | N04 | C05 | H5 | 6.6° | 37.8° |
| N04 | C50 | N51 | H32 | 0.2° | 0.4° |
| C57 | N02 | C03 | N04 | 0.0° | 0.2° |
| C57 | N02 | C03 | C01 | 179.9° | 179.7° |
| C57 | N02 | C01 | H1 | 180.0° | 90.3° |
| C57 | N02 | C01 | H2 | 60.0° | 29.6° |
| C57 | N02 | C01 | H3 | 60.0° | 149.7° |
| C57 | N02 | C03 | H4 | 180.0° | 179.8° |
| C05 | N04 | C03 | N02 | 179.7° | 180.0° |
| N04 | C05 | C48 | O06 | 132.5° | 118.5° |
| N04 | C05 | C48 | H5 | 111.5° | 122.9° |
| N04 | C05 | O06 | H5 | 131.2° | 123.0° |
| N04 | C05 | C48 | O49 | 138.2° | 86.2° |
| N04 | C05 | C48 | C46 | 100.4° | 155.5° |
| N04 | C05 | O06 | C07 | 92.7° | 158.6° |
| C05 | N04 | C03 | H4 | 0.3° | 0.0° |
| N04 | C05 | C48 | H30 | 16.2° | 37.3° |
| N04 | C03 | N02 | H4 | 180.0° | 180.0° |
| N04 | C03 | N02 | C01 | 179.9° | 180.0° |
| C03 | N04 | C05 | C48 | 60.9° | 95.1° |
| C03 | N04 | C05 | O06 | 54.9° | 19.0° |
| C03 | N04 | C05 | H5 | 173.0° | 142.1° |
| C03 | N02 | C01 | H1 | 0.1° | 90.1° |
| C03 | N02 | C01 | H2 | 119.9° | 150.0° |
| C03 | N02 | C01 | H3 | 120.1° | 30.0° |
| N02 | C01 | H1 | H2 | 120.0° | 119.9° |
| N02 | C01 | H1 | H3 | 120.0° | 120.0° |
| N02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | N02 | C03 | H4 | 0.1° | 0.0° |
| C48 | C05 | O06 | H5 | 114.6° | 118.5° |
| C05 | C48 | O49 | C46 | 116.7° | 112.8° |
| C05 | C48 | O49 | H30 | 120.7° | 123.7° |
| C05 | C48 | C46 | H30 | 116.4° | 118.2° |
| C48 | C05 | O06 | C07 | 21.5° | 40.0° |
| C05 | C48 | C46 | C07 | 29.8° | 20.8° |
| C05 | C48 | C46 | O47 | 148.6° | 97.8° |
| C05 | C48 | C46 | H28 | 86.6° | 139.6° |
| C05 | C48 | O49 | H31 | 180.0° | 180.0° |
| O06 | C05 | C48 | O49 | 89.3° | 155.2° |
| O06 | C05 | C48 | C46 | 32.1° | 37.0° |
| C05 | O06 | C07 | C46 | 2.7° | 26.5° |
| C05 | O06 | C07 | C08 | 117.8° | 145.9° |
| C05 | O06 | C07 | H6 | 120.2° | 93.1° |
| O06 | C05 | C48 | H30 | 148.7° | 81.2° |
| O49 | C48 | C46 | H30 | 123.6° | 123.5° |
| O49 | C48 | C46 | C07 | 90.2° | 139.1° |
| O49 | C48 | C46 | O47 | 28.6° | 20.4° |
| O49 | C48 | C05 | H5 | 26.6° | 36.6° |
| O49 | C48 | C46 | H28 | 153.4° | 102.2° |
| C48 | C46 | C07 | O06 | 17.6° | 2.1° |
| C48 | C46 | C07 | O47 | 118.6° | 118.6° |
| C48 | C46 | C07 | H28 | 116.8° | 118.8° |
| C48 | C46 | O47 | H28 | 123.5° | 122.7° |
| C48 | C46 | C07 | C08 | 140.6° | 121.5° |
| C46 | C48 | C05 | H5 | 148.1° | 81.6° |
| C48 | C46 | C07 | H6 | 100.8° | 117.5° |
| C48 | C46 | O47 | H29 | 180.0° | 65.3° |
| C46 | C48 | O49 | H31 | 63.3° | 67.2° |
| O06 | C07 | C46 | C08 | 123.0° | 119.4° |
| O06 | C07 | C46 | H6 | 118.4° | 119.5° |
| O06 | C07 | C46 | O47 | 136.2° | 120.7° |
| O06 | C07 | C08 | H6 | 122.8° | 121.1° |
| O06 | C07 | C08 | O09 | 1.4° | 66.5° |
| C07 | O06 | C05 | H5 | 136.1° | 78.5° |
| O06 | C07 | C08 | H7 | 118.6° | 173.6° |
| O06 | C07 | C08 | H8 | 121.4° | 53.5° |
| O06 | C07 | C46 | H28 | 99.2° | 116.8° |
| C07 | C46 | O47 | H28 | 123.1° | 122.6° |
| C46 | C07 | C08 | H6 | 118.9° | 121.2° |
| C46 | C07 | C08 | O09 | 116.9° | 175.8° |
| C46 | C07 | C08 | H7 | 123.1° | 55.8° |
| C46 | C07 | C08 | H8 | 3.1° | 64.3° |
| C07 | C46 | O47 | H29 | 66.7° | 180.0° |
| C07 | C46 | C48 | H30 | 146.2° | 97.4° |
| O47 | C46 | C07 | C08 | 100.8° | 119.9° |
| O47 | C46 | C07 | H6 | 17.8° | 1.2° |
| O47 | C46 | C48 | H30 | 95.0° | 144.0° |
| C07 | C08 | O09 | H7 | 120.0° | 120.0° |
| C07 | C08 | O09 | H8 | 120.0° | 120.0° |
| C07 | C08 | O09 | P10 | 179.7° | 180.0° |
| C07 | C08 | H7 | H8 | 119.9° | 120.1° |
| C08 | C07 | C46 | H28 | 23.8° | 2.6° |
| C08 | O09 | P10 | O11 | 119.0° | 55.0° |
| C08 | O09 | P10 | S12 | 121.4° | 65.1° |
| C08 | O09 | P10 | O13 | 1.8° | 175.0° |
| O09 | C08 | C07 | H6 | 124.2° | 54.6° |
| O09 | C08 | H7 | H8 | 119.9° | 120.0° |
| O09 | P10 | O11 | S12 | 114.3° | 120.0° |
| O09 | P10 | O11 | O13 | 107.6° | 120.0° |
| O09 | P10 | S12 | O13 | 114.4° | 120.0° |
| O09 | P10 | O13 | P14 | 171.5° | 180.0° |
| P10 | O09 | C08 | H7 | 59.7° | 60.0° |
| P10 | O09 | C08 | H8 | 60.2° | 60.0° |
| O09 | P10 | S12 | H9 | 108.3° | 60.0° |
| O11 | P10 | S12 | O13 | 137.3° | 120.0° |
| O11 | P10 | O13 | P14 | 83.7° | 60.0° |
| O11 | P10 | S12 | H9 | 0.0° | 180.0° |
| S12 | P10 | O13 | P14 | 53.9° | 60.0° |
| P10 | O13 | P14 | O15 | 35.2° | 45.0° |
| P10 | O13 | P14 | O17 | 77.1° | 165.0° |
| P10 | O13 | P14 | O16 | 157.2° | 75.0° |
| O13 | P10 | S12 | H9 | 137.3° | 60.0° |
| O45 | C44 | C42 | O43 | 38.1° | 20.4° |
| O45 | C44 | C42 | C27 | 118.2° | 118.7° |
| O45 | C44 | C42 | H26 | 122.7° | 122.7° |
| O45 | C44 | C27 | H26 | 129.2° | 122.6° |
| O45 | C44 | C42 | C29 | 80.2° | 97.8° |
| O45 | C44 | C27 | O28 | 75.2° | 120.7° |
| O45 | C44 | C27 | C26 | 163.4° | 119.9° |
| O45 | C44 | C27 | H15 | 42.5° | 1.2° |
| O45 | C44 | C42 | H24 | 162.9° | 144.0° |
| O43 | C42 | C44 | C29 | 118.3° | 118.2° |
| O43 | C42 | C44 | H24 | 124.9° | 123.6° |
| O43 | C42 | C44 | C27 | 156.3° | 139.1° |
| O43 | C42 | C29 | H24 | 128.2° | 123.5° |
| O43 | C42 | C29 | O28 | 142.3° | 155.3° |
| O43 | C42 | C29 | N30 | 90.7° | 86.3° |
| O43 | C42 | C29 | H16 | 24.9° | 36.7° |
| O43 | C42 | C44 | H26 | 84.6° | 102.3° |
| O13 | P14 | O15 | O17 | 121.2° | 120.0° |
| O13 | P14 | O15 | O16 | 109.0° | 120.0° |
| O13 | P14 | O17 | O16 | 120.3° | 120.0° |
| O13 | P14 | O17 | P18 | 126.8° | 160.0° |
| O13 | P14 | O16 | H10 | 105.5° | 60.0° |
| C42 | C44 | C27 | H26 | 119.6° | 118.6° |
| C44 | C42 | C29 | H24 | 117.1° | 118.3° |
| C42 | C44 | C27 | O28 | 36.1° | 2.0° |
| C42 | C44 | C27 | C26 | 85.3° | 121.4° |
| C44 | C42 | C29 | O28 | 27.6° | 37.1° |
| C44 | C42 | C29 | N30 | 154.7° | 155.5° |
| C42 | C44 | C27 | H15 | 153.8° | 117.5° |
| C44 | C42 | C29 | H16 | 89.7° | 81.5° |
| C44 | C42 | O43 | H25 | 180.0° | 67.3° |
| C42 | C44 | O45 | H27 | 180.0° | 61.4° |
| C27 | C44 | C42 | C29 | 38.0° | 20.9° |
| C44 | C27 | O28 | C26 | 120.1° | 119.4° |
| C44 | C27 | O28 | H15 | 116.4° | 119.6° |
| C44 | C27 | C26 | H15 | 121.2° | 121.2° |
| C44 | C27 | O28 | C29 | 19.0° | 26.5° |
| C44 | C27 | C26 | O25 | 63.3° | 175.7° |
| C44 | C27 | C26 | H13 | 176.1° | 64.3° |
| C44 | C27 | C26 | H14 | 57.3° | 55.7° |
| C27 | C44 | C42 | H24 | 78.8° | 97.3° |
| C27 | C44 | O45 | H27 | 68.9° | 176.3° |
| C42 | C29 | O28 | C27 | 5.2° | 40.1° |
| C42 | C29 | O28 | N30 | 122.4° | 118.5° |
| C42 | C29 | O28 | H16 | 116.1° | 118.7° |
| C42 | C29 | N30 | H16 | 115.7° | 123.1° |
| C42 | C29 | N30 | C31 | 29.9° | 90.5° |
| C42 | C29 | N30 | C41 | 149.5° | 89.3° |
| C29 | C42 | O43 | H25 | 70.6° | 180.0° |
| C29 | C42 | C44 | H26 | 157.1° | 139.6° |
| O15 | P14 | O17 | O16 | 132.9° | 120.0° |
| O15 | P14 | O17 | P18 | 20.0° | 39.9° |
| O15 | P14 | O16 | H10 | 0.0° | 179.9° |
| O28 | C27 | C26 | H15 | 124.7° | 121.0° |
| C27 | O28 | C29 | N30 | 127.6° | 158.6° |
| O28 | C27 | C26 | O25 | 50.8° | 66.5° |
| O28 | C27 | C26 | H13 | 69.8° | 53.5° |
| O28 | C27 | C26 | H14 | 171.4° | 173.5° |
| C27 | O28 | C29 | H16 | 110.9° | 78.6° |
| O28 | C27 | C44 | H26 | 155.6° | 116.6° |
| C26 | C27 | O28 | C29 | 101.0° | 145.9° |
| C27 | C26 | O25 | H13 | 120.6° | 120.0° |
| C27 | C26 | O25 | H14 | 120.6° | 120.0° |
| C27 | C26 | O25 | P22 | 156.1° | 180.0° |
| C27 | C26 | H13 | H14 | 118.1° | 120.0° |
| C26 | C27 | C44 | H26 | 34.3° | 2.8° |
| P14 | O17 | P18 | O19 | 58.9° | 40.0° |
| P14 | O17 | P18 | O20 | 166.9° | 79.9° |
| P14 | O17 | P18 | O21 | 49.9° | 160.0° |
| O17 | P14 | O16 | H10 | 126.4° | 60.0° |
| O16 | P14 | O17 | P18 | 112.9° | 80.0° |
| O28 | C29 | N30 | H16 | 122.5° | 122.9° |
| O28 | C29 | N30 | C31 | 91.9° | 23.5° |
| O28 | C29 | N30 | C41 | 88.7° | 156.7° |
| C29 | O28 | C27 | H15 | 135.5° | 93.0° |
| O28 | C29 | C42 | H24 | 89.5° | 81.2° |
| C29 | N30 | C31 | C41 | 179.4° | 179.8° |
| C29 | N30 | C41 | N40 | 0.6° | 0.6° |
| C29 | N30 | C31 | N32 | 179.6° | 180.0° |
| C29 | N30 | C41 | C34 | 179.7° | 179.9° |
| C29 | N30 | C31 | H17 | 0.4° | 0.0° |
| N30 | C29 | C42 | H24 | 37.5° | 37.2° |
| O19 | P18 | O17 | O20 | 134.2° | 120.0° |
| O19 | P18 | O17 | O21 | 108.9° | 120.0° |
| O19 | P18 | O20 | O21 | 113.3° | 120.0° |
| O19 | P18 | O21 | P22 | 34.8° | 45.0° |
| O19 | P18 | O20 | H11 | 0.0° | 180.0° |
| C26 | O25 | P22 | O21 | 97.9° | 175.0° |
| C26 | O25 | P22 | O23 | 147.5° | 55.0° |
| C26 | O25 | P22 | S24 | 29.5° | 65.0° |
| O25 | C26 | H13 | H14 | 118.1° | 120.0° |
| O25 | C26 | C27 | H15 | 175.5° | 54.6° |
| O17 | P18 | O20 | O21 | 114.9° | 120.0° |
| O17 | P18 | O21 | P22 | 150.0° | 165.0° |
| O17 | P18 | O20 | H11 | 131.9° | 60.1° |
| C31 | N30 | C41 | N40 | 180.0° | 179.6° |
| N30 | C31 | N32 | H17 | 180.0° | 180.0° |
| C31 | N30 | C41 | C34 | 0.2° | 0.3° |
| N30 | C31 | N32 | C34 | 0.0° | 0.0° |
| N30 | C31 | N32 | C33 | 179.8° | 179.9° |
| C31 | N30 | C29 | H16 | 145.5° | 146.4° |
| N30 | C41 | N40 | C34 | 179.7° | 179.2° |
| N30 | C41 | N40 | C38 | 179.7° | 179.6° |
| C41 | N30 | C31 | N32 | 0.1° | 0.2° |
| N30 | C41 | C34 | N32 | 0.2° | 0.3° |
| N30 | C41 | C34 | C35 | 179.8° | 179.8° |
| C41 | N30 | C29 | H16 | 33.8° | 33.8° |
| C41 | N30 | C31 | H17 | 179.9° | 179.8° |
| N30 | C41 | N40 | H23 | 0.3° | 0.1° |
| O25 | P22 | O21 | P18 | 54.9° | 180.0° |
| O25 | P22 | O21 | O23 | 106.3° | 120.0° |
| O25 | P22 | O21 | S24 | 122.5° | 120.0° |
| O25 | P22 | O23 | S24 | 112.4° | 120.0° |
| O25 | P22 | S24 | H12 | 106.3° | 60.0° |
| P22 | O25 | C26 | H13 | 35.5° | 60.0° |
| P22 | O25 | C26 | H14 | 83.3° | 60.0° |
| O20 | P18 | O21 | P22 | 87.4° | 75.0° |
| P18 | O21 | P22 | O23 | 161.1° | 60.0° |
| P18 | O21 | P22 | S24 | 67.6° | 60.1° |
| O21 | P18 | O20 | H11 | 113.2° | 60.0° |
| C41 | N40 | C38 | H23 | 180.0° | 179.5° |
| C41 | N40 | C38 | N39 | 180.0° | 179.8° |
| C41 | N40 | C38 | N37 | 0.1° | 0.1° |
| N40 | C41 | C34 | N32 | 180.0° | 179.7° |
| N40 | C41 | C34 | C35 | 0.0° | 0.4° |
| C38 | N40 | C41 | C34 | 0.0° | 0.4° |
| N40 | C38 | N39 | N37 | 180.0° | 179.9° |
| N40 | C38 | N37 | C35 | 0.1° | 0.1° |
| N40 | C38 | N39 | H21 | 180.0° | 179.9° |
| N40 | C38 | N39 | H22 | 0.1° | 0.1° |
| C31 | N32 | C34 | C41 | 0.2° | 0.2° |
| C31 | N32 | C34 | C33 | 179.8° | 179.9° |
| C31 | N32 | C34 | C35 | 179.9° | 180.0° |
| C31 | N32 | C33 | H18 | 180.0° | 89.9° |
| C31 | N32 | C33 | H19 | 60.0° | 150.0° |
| C31 | N32 | C33 | H20 | 60.0° | 30.1° |
| C41 | C34 | N32 | C35 | 179.9° | 179.8° |
| C41 | C34 | N32 | C33 | 179.9° | 179.7° |
| C41 | C34 | C35 | N37 | 0.0° | 0.2° |
| C41 | C34 | C35 | O36 | 179.9° | 179.7° |
| C34 | C41 | N40 | H23 | 180.0° | 179.1° |
| N39 | C38 | N37 | C35 | 179.9° | 180.0° |
| C38 | N39 | H21 | H22 | 180.0° | 180.0° |
| N39 | C38 | N40 | H23 | 0.0° | 0.8° |
| O21 | P22 | O23 | S24 | 132.2° | 120.0° |
| O21 | P22 | S24 | H12 | 129.2° | 60.0° |
| C38 | N37 | C35 | C34 | 0.1° | 0.0° |
| C38 | N37 | C35 | O36 | 180.0° | 180.0° |
| N37 | C38 | N39 | H21 | 0.0° | 0.0° |
| N37 | C38 | N39 | H22 | 180.0° | 180.0° |
| N37 | C38 | N40 | H23 | 179.9° | 179.3° |
| N32 | C34 | C35 | N37 | 179.9° | 180.0° |
| N32 | C34 | C35 | O36 | 0.0° | 0.1° |
| C34 | N32 | C31 | H17 | 180.0° | 180.0° |
| C34 | N32 | C33 | H18 | 0.3° | 89.9° |
| C34 | N32 | C33 | H19 | 119.7° | 30.1° |
| C34 | N32 | C33 | H20 | 120.3° | 150.0° |
| C33 | N32 | C34 | C35 | 0.1° | 0.1° |
| C33 | N32 | C31 | H17 | 0.2° | 0.1° |
| N32 | C33 | H18 | H19 | 120.0° | 120.0° |
| N32 | C33 | H18 | H20 | 120.0° | 120.0° |
| N32 | C33 | H19 | H20 | 120.0° | 119.9° |
| C34 | C35 | N37 | O36 | 179.9° | 179.9° |
| O23 | P22 | S24 | H12 | 0.0° | 180.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.1° |
| H5 | C05 | C48 | H30 | 95.3° | 160.2° |
| H6 | C07 | C08 | H7 | 4.2° | 65.4° |
| H6 | C07 | C08 | H8 | 115.7° | 174.6° |
| H6 | C07 | C46 | H28 | 142.4° | 123.7° |
| H13 | C26 | C27 | H15 | 54.9° | 174.5° |
| H14 | C26 | C27 | H15 | 63.9° | 65.4° |
| H15 | C27 | C44 | H26 | 86.6° | 123.9° |
| H16 | C29 | C42 | H24 | 153.2° | 160.2° |
| H18 | C33 | H19 | H20 | 120.0° | 120.0° |
| H24 | C42 | O43 | H25 | 56.3° | 56.4° |
| H24 | C42 | C44 | H26 | 40.3° | 21.4° |
| H26 | C44 | O45 | H27 | 58.8° | 61.2° |
| H28 | C46 | O47 | H29 | 56.5° | 57.4° |
| H28 | C46 | C48 | H30 | 29.7° | 21.4° |
| H30 | C48 | O49 | H31 | 59.3° | 56.4° |
