5ZY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N27 | C26 | sing | 1.38Å | 1.43Å | |
| N28 | C26 | doub | 1.33Å | 1.31Å | Aromatic |
| N28 | C29 | sing | 1.32Å | 1.35Å | Aromatic |
| C26 | C25 | sing | 1.41Å | 1.39Å | Aromatic |
| C29 | N30 | doub | 1.32Å | 1.30Å | Aromatic |
| C25 | N24 | sing | 1.35Å | 1.35Å | Aromatic |
| C25 | C31 | doub | 1.40Å | 1.39Å | Aromatic |
| N30 | C31 | sing | 1.33Å | 1.34Å | Aromatic |
| N24 | C23 | doub | 1.30Å | 1.31Å | Aromatic |
| C31 | N22 | sing | 1.37Å | 1.33Å | Aromatic |
| C23 | N22 | sing | 1.36Å | 1.35Å | Aromatic |
| N22 | C21 | sing | 1.46Å | 1.48Å | |
| C21 | O20 | sing | 1.44Å | 1.29Å | |
| C21 | C32 | sing | 1.54Å | 1.58Å | |
| O20 | C19 | sing | 1.44Å | 1.62Å | |
| O15 | P14 | doub | 1.48Å | 1.51Å | |
| C32 | O33 | sing | 1.43Å | 1.43Å | |
| C32 | C34 | sing | 1.55Å | 1.50Å | |
| O03 | C02 | sing | 1.35Å | 1.43Å | |
| O03 | C04 | sing | 1.43Å | 1.49Å | |
| C19 | C18 | sing | 1.53Å | 1.61Å | |
| C19 | C34 | sing | 1.54Å | 1.35Å | |
| C18 | O17 | sing | 1.43Å | 1.42Å | |
| C02 | N01 | doub | 1.30Å | 1.29Å | |
| C02 | N38 | sing | 1.37Å | 1.45Å | |
| C04 | C37 | sing | 1.55Å | 1.56Å | |
| C04 | C05 | sing | 1.53Å | 1.53Å | |
| C34 | O35 | sing | 1.43Å | 1.40Å | |
| C37 | N38 | sing | 1.48Å | 1.40Å | |
| C37 | O36 | sing | 1.44Å | 1.33Å | |
| O17 | P14 | sing | 1.61Å | 1.62Å | |
| P14 | O13 | sing | 1.61Å | 1.65Å | |
| P14 | O16 | sing | 1.61Å | 1.49Å | |
| N38 | C39 | sing | 1.46Å | 1.43Å | |
| O13 | P10 | sing | 1.61Å | 1.63Å | |
| C39 | C40 | sing | 1.53Å | 1.60Å | |
| O36 | C07 | sing | 1.43Å | 1.61Å | |
| C05 | C07 | sing | 1.54Å | 1.35Å | |
| C05 | O06 | sing | 1.43Å | 1.37Å | |
| C07 | C08 | sing | 1.53Å | 1.56Å | |
| C08 | O09 | sing | 1.43Å | 1.42Å | |
| P10 | O11 | doub | 1.48Å | 1.52Å | |
| P10 | O09 | sing | 1.61Å | 1.67Å | |
| P10 | O12 | sing | 1.61Å | 1.51Å | |
| C40 | C41 | sing | 1.53Å | 1.54Å | |
| C41 | C42 | sing | 1.53Å | 1.55Å | |
| C42 | N43 | sing | 1.47Å | 1.43Å | |
| C42 | C44 | sing | 1.51Å | 1.53Å | |
| C44 | O45 | doub | 1.21Å | 1.18Å | |
| C18 | H1 | sing | 1.09Å | 1.10Å | |
| C18 | H2 | sing | 1.09Å | 1.10Å | |
| C19 | H3 | sing | 1.09Å | 1.10Å | |
| C21 | H4 | sing | 1.09Å | 1.10Å | |
| C23 | H5 | sing | 1.08Å | 1.08Å | |
| C29 | H6 | sing | 1.08Å | 1.08Å | |
| C32 | H7 | sing | 1.09Å | 1.10Å | |
| C34 | H8 | sing | 1.09Å | 1.10Å | |
| C37 | H9 | sing | 1.09Å | 1.10Å | |
| C39 | H10 | sing | 1.09Å | 1.10Å | |
| C39 | H11 | sing | 1.09Å | 1.10Å | |
| O12 | H12 | sing | 0.97Å | 0.95Å | |
| C40 | H13 | sing | 1.09Å | 1.10Å | |
| C40 | H14 | sing | 1.09Å | 1.10Å | |
| C41 | H15 | sing | 1.09Å | 1.10Å | |
| C41 | H16 | sing | 1.09Å | 1.10Å | |
| C42 | H17 | sing | 1.09Å | 1.10Å | |
| C44 | H18 | sing | 1.08Å | 1.08Å | |
| C04 | H19 | sing | 1.09Å | 1.10Å | |
| C05 | H20 | sing | 1.09Å | 1.10Å | |
| C07 | H21 | sing | 1.09Å | 1.10Å | |
| C08 | H22 | sing | 1.09Å | 1.10Å | |
| C08 | H23 | sing | 1.09Å | 1.10Å | |
| N01 | H24 | sing | 0.97Å | 1.00Å | |
| N27 | H25 | sing | 0.97Å | 1.00Å | |
| N27 | H26 | sing | 0.97Å | 1.00Å | |
| N43 | H27 | sing | 1.01Å | 1.00Å | |
| N43 | H28 | sing | 1.01Å | 1.00Å | |
| O06 | H30 | sing | 0.97Å | 0.95Å | |
| O16 | H31 | sing | 0.97Å | 0.95Å | |
| O33 | H32 | sing | 0.97Å | 0.95Å | |
| O35 | H33 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N27 | C26 | N28 | 120.3° | 120.8° |
| N27 | C26 | C25 | 120.5° | 120.8° |
| C26 | N27 | H25 | 109.5° | 120.0° |
| C26 | N27 | H26 | 109.5° | 120.0° |
| C26 | N28 | C29 | 121.0° | 121.1° |
| N28 | C26 | C25 | 119.1° | 118.5° |
| N28 | C29 | N30 | 121.4° | 122.5° |
| N28 | C29 | H6 | 119.3° | 118.7° |
| C26 | C25 | N24 | 134.7° | 134.7° |
| C26 | C25 | C31 | 118.5° | 118.2° |
| C29 | N30 | C31 | 120.7° | 120.6° |
| N30 | C29 | H6 | 119.3° | 118.7° |
| N24 | C25 | C31 | 106.8° | 107.1° |
| C25 | N24 | C23 | 108.8° | 109.4° |
| C25 | C31 | N30 | 119.3° | 119.1° |
| C25 | C31 | N22 | 106.9° | 106.0° |
| N30 | C31 | N22 | 133.8° | 134.9° |
| N24 | C23 | N22 | 108.8° | 110.0° |
| N24 | C23 | H5 | 125.6° | 125.0° |
| C31 | N22 | C23 | 108.6° | 107.4° |
| C31 | N22 | C21 | 124.8° | 126.3° |
| C23 | N22 | C21 | 126.5° | 126.3° |
| N22 | C23 | H5 | 125.6° | 125.0° |
| N22 | C21 | O20 | 104.1° | 110.3° |
| N22 | C21 | C32 | 121.4° | 110.4° |
| N22 | C21 | H4 | 108.0° | 110.4° |
| O20 | C21 | C32 | 105.6° | 104.8° |
| C21 | O20 | C19 | 106.9° | 105.2° |
| O20 | C21 | H4 | 110.8° | 110.4° |
| C21 | C32 | O33 | 109.9° | 110.5° |
| C21 | C32 | C34 | 102.1° | 104.1° |
| C32 | C21 | H4 | 106.8° | 110.4° |
| C21 | C32 | H7 | 109.9° | 110.5° |
| O20 | C19 | C18 | 108.8° | 110.3° |
| O20 | C19 | C34 | 107.5° | 104.8° |
| O20 | C19 | H3 | 108.5° | 110.5° |
| O15 | P14 | O17 | 110.5° | 109.5° |
| O15 | P14 | O13 | 109.5° | 109.5° |
| O15 | P14 | O16 | 110.2° | 109.5° |
| O33 | C32 | C34 | 111.3° | 110.5° |
| O33 | C32 | H7 | 112.1° | 110.4° |
| C32 | O33 | H32 | 109.5° | 114.0° |
| C32 | C34 | C19 | 105.6° | 104.1° |
| C32 | C34 | O35 | 109.6° | 110.5° |
| C34 | C32 | H7 | 111.0° | 110.7° |
| C32 | C34 | H8 | 109.5° | 110.5° |
| C02 | O03 | C04 | 104.6° | 106.3° |
| O03 | C02 | N01 | 125.5° | 124.8° |
| O03 | C02 | N38 | 110.1° | 110.4° |
| O03 | C04 | C37 | 103.6° | 103.0° |
| O03 | C04 | C05 | 116.4° | 111.2° |
| O03 | C04 | H19 | 111.4° | 112.7° |
| C18 | C19 | C34 | 111.2° | 110.4° |
| C19 | C18 | O17 | 107.3° | 109.5° |
| C19 | C18 | H1 | 110.0° | 109.5° |
| C19 | C18 | H2 | 110.0° | 109.4° |
| C18 | C19 | H3 | 108.6° | 110.3° |
| C19 | C34 | O35 | 109.2° | 110.5° |
| C34 | C19 | H3 | 112.3° | 110.4° |
| C19 | C34 | H8 | 111.8° | 110.6° |
| C18 | O17 | P14 | 117.7° | 123.0° |
| O17 | C18 | H1 | 110.0° | 109.5° |
| O17 | C18 | H2 | 110.0° | 109.5° |
| N01 | C02 | N38 | 124.3° | 124.8° |
| C02 | N01 | H24 | 112.0° | 120.0° |
| C02 | N38 | C37 | 109.2° | 107.3° |
| C02 | N38 | C39 | 125.7° | 126.3° |
| C37 | C04 | C05 | 103.7° | 104.5° |
| C04 | C37 | N38 | 104.3° | 102.3° |
| C04 | C37 | O36 | 105.6° | 105.8° |
| C04 | C37 | H9 | 107.6° | 114.0° |
| C37 | C04 | H19 | 110.4° | 112.4° |
| C04 | C05 | C07 | 106.0° | 105.2° |
| C04 | C05 | O06 | 109.6° | 110.3° |
| C05 | C04 | H19 | 110.8° | 112.2° |
| C04 | C05 | H20 | 108.8° | 110.3° |
| O35 | C34 | H8 | 111.0° | 110.6° |
| C34 | O35 | H33 | 109.5° | 114.0° |
| N38 | C37 | O36 | 118.0° | 107.3° |
| C37 | N38 | C39 | 125.1° | 126.3° |
| N38 | C37 | H9 | 109.7° | 113.3° |
| C37 | O36 | C07 | 107.5° | 110.0° |
| O36 | C37 | H9 | 110.8° | 113.2° |
| O17 | P14 | O13 | 105.3° | 109.4° |
| O17 | P14 | O16 | 110.0° | 109.4° |
| O13 | P14 | O16 | 111.3° | 109.5° |
| P14 | O13 | P10 | 125.5° | 134.0° |
| P14 | O16 | H31 | 109.5° | 114.0° |
| N38 | C39 | C40 | 110.1° | 109.5° |
| N38 | C39 | H10 | 109.3° | 109.5° |
| N38 | C39 | H11 | 109.3° | 109.5° |
| O13 | P10 | O11 | 106.7° | 109.5° |
| O13 | P10 | O09 | 108.2° | 109.5° |
| O13 | P10 | O12 | 110.3° | 109.5° |
| C39 | C40 | C41 | 109.0° | 109.5° |
| C40 | C39 | H10 | 109.3° | 109.5° |
| C40 | C39 | H11 | 109.3° | 109.4° |
| C39 | C40 | H13 | 109.6° | 109.4° |
| C39 | C40 | H14 | 109.6° | 109.5° |
| O36 | C07 | C05 | 108.0° | 108.1° |
| O36 | C07 | C08 | 109.1° | 109.7° |
| O36 | C07 | H21 | 108.5° | 109.7° |
| C07 | C05 | O06 | 109.8° | 110.3° |
| C05 | C07 | C08 | 110.0° | 109.8° |
| C07 | C05 | H20 | 111.3° | 110.3° |
| C05 | C07 | H21 | 112.1° | 109.8° |
| O06 | C05 | H20 | 111.1° | 110.4° |
| C05 | O06 | H30 | 109.5° | 114.0° |
| C07 | C08 | O09 | 107.7° | 109.5° |
| C08 | C07 | H21 | 109.1° | 109.7° |
| C07 | C08 | H22 | 109.9° | 109.4° |
| C07 | C08 | H23 | 109.9° | 109.5° |
| C08 | O09 | P10 | 118.4° | 123.0° |
| O09 | C08 | H22 | 109.9° | 109.5° |
| O09 | C08 | H23 | 109.9° | 109.5° |
| O11 | P10 | O09 | 110.0° | 109.5° |
| O11 | P10 | O12 | 111.0° | 109.5° |
| O09 | P10 | O12 | 110.6° | 109.5° |
| P10 | O12 | H12 | 109.5° | 114.0° |
| C40 | C41 | C42 | 113.9° | 109.5° |
| C41 | C40 | H13 | 109.6° | 109.5° |
| C41 | C40 | H14 | 109.6° | 109.5° |
| C40 | C41 | H15 | 108.4° | 109.4° |
| C40 | C41 | H16 | 108.3° | 109.5° |
| C41 | C42 | N43 | 108.7° | 109.5° |
| C41 | C42 | C44 | 110.6° | 109.5° |
| C42 | C41 | H15 | 108.3° | 109.5° |
| C42 | C41 | H16 | 108.4° | 109.4° |
| C41 | C42 | H17 | 108.4° | 109.5° |
| N43 | C42 | C44 | 110.1° | 109.5° |
| N43 | C42 | H17 | 110.2° | 109.5° |
| C42 | N43 | H27 | 109.5° | 111.0° |
| C42 | N43 | H28 | 109.5° | 111.0° |
| C42 | C44 | O45 | 119.6° | 120.1° |
| C44 | C42 | H17 | 108.7° | 109.5° |
| C42 | C44 | H18 | 120.2° | 120.0° |
| O45 | C44 | H18 | 120.2° | 120.0° |
| H1 | C18 | H2 | 109.5° | 109.5° |
| H10 | C39 | H11 | 109.5° | 109.4° |
| H13 | C40 | H14 | 109.5° | 109.5° |
| H15 | C41 | H16 | 109.5° | 109.5° |
| H22 | C08 | H23 | 109.4° | 109.4° |
| H25 | N27 | H26 | 109.4° | 120.0° |
| H27 | N43 | H28 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N27 | C26 | N28 | C25 | 180.0° | 180.0° |
| N27 | C26 | N28 | C29 | 179.8° | 180.0° |
| N27 | C26 | C25 | N24 | 0.1° | 0.1° |
| N27 | C26 | C25 | C31 | 180.0° | 179.7° |
| C26 | N27 | H25 | H26 | 120.0° | 179.9° |
| C26 | N28 | C29 | N30 | 0.2° | 0.4° |
| N28 | C26 | C25 | N24 | 179.8° | 180.0° |
| N28 | C26 | C25 | C31 | 0.1° | 0.3° |
| C26 | N28 | C29 | H6 | 179.8° | 179.9° |
| N28 | C26 | N27 | H25 | 0.0° | 179.9° |
| N28 | C26 | N27 | H26 | 120.0° | 0.0° |
| C29 | N28 | C26 | C25 | 0.2° | 0.0° |
| N28 | C29 | N30 | H6 | 180.0° | 179.5° |
| N28 | C29 | N30 | C31 | 0.1° | 0.5° |
| C26 | C25 | N24 | C31 | 179.9° | 179.8° |
| C26 | C25 | C31 | N30 | 0.1° | 0.2° |
| C26 | C25 | N24 | C23 | 179.9° | 179.9° |
| C26 | C25 | C31 | N22 | 179.9° | 179.7° |
| C25 | C26 | N27 | H25 | 180.0° | 0.1° |
| C25 | C26 | N27 | H26 | 60.0° | 180.0° |
| C29 | N30 | C31 | C25 | 0.1° | 0.2° |
| C29 | N30 | C31 | N22 | 179.8° | 179.2° |
| N24 | C25 | C31 | N30 | 180.0° | 180.0° |
| N24 | C25 | C31 | N22 | 0.2° | 0.4° |
| C25 | N24 | C23 | N22 | 0.2° | 0.0° |
| C25 | N24 | C23 | H5 | 179.8° | 179.7° |
| C25 | C31 | N30 | N22 | 179.7° | 179.4° |
| C31 | C25 | N24 | C23 | 0.0° | 0.3° |
| C25 | C31 | N22 | C23 | 0.3° | 0.4° |
| C25 | C31 | N22 | C21 | 179.4° | 179.6° |
| N30 | C31 | N22 | C23 | 179.9° | 179.9° |
| N30 | C31 | N22 | C21 | 0.8° | 0.2° |
| C31 | N30 | C29 | H6 | 179.9° | 180.0° |
| N24 | C23 | N22 | C31 | 0.4° | 0.3° |
| N24 | C23 | N22 | H5 | 180.0° | 179.7° |
| N24 | C23 | N22 | C21 | 179.4° | 179.8° |
| C31 | N22 | C23 | C21 | 179.1° | 179.9° |
| C31 | N22 | C21 | O20 | 71.3° | 156.5° |
| C31 | N22 | C21 | C32 | 170.2° | 88.1° |
| C31 | N22 | C21 | H4 | 46.6° | 34.2° |
| C31 | N22 | C23 | H5 | 179.7° | 180.0° |
| C23 | N22 | C21 | O20 | 109.8° | 23.6° |
| C23 | N22 | C21 | C32 | 8.7° | 91.8° |
| C23 | N22 | C21 | H4 | 132.4° | 145.9° |
| N22 | C21 | O20 | C32 | 128.8° | 118.8° |
| N22 | C21 | O20 | H4 | 115.8° | 122.3° |
| N22 | C21 | C32 | H4 | 124.2° | 122.3° |
| N22 | C21 | O20 | C19 | 152.1° | 159.4° |
| N22 | C21 | C32 | O33 | 89.1° | 98.6° |
| N22 | C21 | C32 | C34 | 152.7° | 142.8° |
| C21 | N22 | C23 | H5 | 0.6° | 0.1° |
| N22 | C21 | C32 | H7 | 34.8° | 24.0° |
| O20 | C21 | C32 | H4 | 118.0° | 118.9° |
| O20 | C21 | C32 | O33 | 153.1° | 142.6° |
| O20 | C21 | C32 | C34 | 34.9° | 24.0° |
| C21 | O20 | C19 | C18 | 123.9° | 159.4° |
| C21 | O20 | C19 | C34 | 3.5° | 40.6° |
| C21 | O20 | C19 | H3 | 118.1° | 78.3° |
| O20 | C21 | C32 | H7 | 83.0° | 94.8° |
| C32 | C21 | O20 | C19 | 23.3° | 40.6° |
| C21 | C32 | O33 | C34 | 112.3° | 114.6° |
| C21 | C32 | O33 | H7 | 122.6° | 122.6° |
| C21 | C32 | C34 | H7 | 117.1° | 118.8° |
| C21 | C32 | C34 | C19 | 32.0° | 0.0° |
| C21 | C32 | C34 | O35 | 85.5° | 118.6° |
| C21 | C32 | C34 | H8 | 152.6° | 118.7° |
| C21 | C32 | O33 | H32 | 180.0° | 180.0° |
| O20 | C19 | C34 | C32 | 19.3° | 24.0° |
| O20 | C19 | C18 | C34 | 118.1° | 115.3° |
| O20 | C19 | C18 | H3 | 117.8° | 122.4° |
| O20 | C19 | C34 | H3 | 119.2° | 119.0° |
| O20 | C19 | C18 | O17 | 95.9° | 69.6° |
| O20 | C19 | C34 | O35 | 98.5° | 142.6° |
| O20 | C19 | C18 | H1 | 23.8° | 170.4° |
| O20 | C19 | C18 | H2 | 144.4° | 50.3° |
| C19 | O20 | C21 | H4 | 92.0° | 78.3° |
| O20 | C19 | C34 | H8 | 138.3° | 94.6° |
| O15 | P14 | O17 | C18 | 81.2° | 55.0° |
| O15 | P14 | O17 | O13 | 118.1° | 120.0° |
| O15 | P14 | O17 | O16 | 121.8° | 120.0° |
| O15 | P14 | O13 | O16 | 122.0° | 120.1° |
| O15 | P14 | O13 | P10 | 137.1° | 40.0° |
| O15 | P14 | O16 | H31 | 0.0° | 180.0° |
| O33 | C32 | C34 | H7 | 125.7° | 122.6° |
| O33 | C32 | C34 | C19 | 149.2° | 118.6° |
| O33 | C32 | C34 | O35 | 31.7° | 0.0° |
| O33 | C32 | C21 | H4 | 35.1° | 23.7° |
| O33 | C32 | C34 | H8 | 90.2° | 122.7° |
| C32 | C34 | C19 | C18 | 99.7° | 142.8° |
| C32 | C34 | C19 | O35 | 117.8° | 118.6° |
| C32 | C34 | C19 | H8 | 119.0° | 118.6° |
| C32 | C34 | O35 | H8 | 121.0° | 122.6° |
| C32 | C34 | C19 | H3 | 138.4° | 95.0° |
| C34 | C32 | C21 | H4 | 83.1° | 94.9° |
| C34 | C32 | O33 | H32 | 67.7° | 65.3° |
| C32 | C34 | O35 | H33 | 180.0° | 65.4° |
| O03 | C02 | N01 | N38 | 179.6° | 180.0° |
| C02 | O03 | C04 | C37 | 27.1° | 31.2° |
| C02 | O03 | C04 | C05 | 86.0° | 142.7° |
| O03 | C02 | N38 | C37 | 0.2° | 20.0° |
| O03 | C02 | N38 | C39 | 180.0° | 160.0° |
| C02 | O03 | C04 | H19 | 145.8° | 90.2° |
| O03 | C02 | N01 | H24 | 0.0° | 0.1° |
| C04 | O03 | C02 | N01 | 161.7° | 146.7° |
| C04 | O03 | C02 | N38 | 18.0° | 33.3° |
| O03 | C04 | C37 | C05 | 122.0° | 116.3° |
| O03 | C04 | C37 | H19 | 119.3° | 121.6° |
| O03 | C04 | C05 | H19 | 128.5° | 127.3° |
| O03 | C04 | C37 | N38 | 27.2° | 18.7° |
| O03 | C04 | C37 | O36 | 152.3° | 93.5° |
| O03 | C04 | C05 | C07 | 140.6° | 98.7° |
| O03 | C04 | C05 | O06 | 22.2° | 20.2° |
| O03 | C04 | C37 | H9 | 89.3° | 141.4° |
| O03 | C04 | C05 | H20 | 99.5° | 142.4° |
| C18 | C19 | C34 | H3 | 121.9° | 122.2° |
| C19 | C18 | O17 | H1 | 119.7° | 120.0° |
| C19 | C18 | O17 | H2 | 119.7° | 119.9° |
| C18 | C19 | C34 | O35 | 142.6° | 98.6° |
| C19 | C18 | O17 | P14 | 163.0° | 180.0° |
| C19 | C18 | H1 | H2 | 121.0° | 120.0° |
| C18 | C19 | C34 | H8 | 19.4° | 24.2° |
| C34 | C19 | C18 | O17 | 22.2° | 175.0° |
| C19 | C34 | O35 | H8 | 123.7° | 122.8° |
| C34 | C19 | C18 | H1 | 141.9° | 55.0° |
| C34 | C19 | C18 | H2 | 97.4° | 65.0° |
| C19 | C34 | C32 | H7 | 85.1° | 118.8° |
| C19 | C34 | O35 | H33 | 64.8° | 180.0° |
| C18 | O17 | P14 | O13 | 36.9° | 175.0° |
| C18 | O17 | P14 | O16 | 157.0° | 65.0° |
| O17 | C18 | H1 | H2 | 121.0° | 120.0° |
| O17 | C18 | C19 | H3 | 146.3° | 52.8° |
| N01 | C02 | N38 | C37 | 179.5° | 160.0° |
| N01 | C02 | N38 | C39 | 0.3° | 20.0° |
| C02 | N38 | C37 | C04 | 16.9° | 0.4° |
| C02 | N38 | C37 | C39 | 179.8° | 180.0° |
| C02 | N38 | C37 | O36 | 133.7° | 110.8° |
| C02 | N38 | C39 | C40 | 74.7° | 90.0° |
| C02 | N38 | C37 | H9 | 98.1° | 123.6° |
| C02 | N38 | C39 | H10 | 165.2° | 150.0° |
| C02 | N38 | C39 | H11 | 45.4° | 30.0° |
| N38 | C02 | N01 | H24 | 179.6° | 180.0° |
| C37 | C04 | C05 | H19 | 118.4° | 122.2° |
| C04 | C37 | N38 | O36 | 116.8° | 111.1° |
| C04 | C37 | N38 | H9 | 115.0° | 123.2° |
| C04 | C37 | O36 | H9 | 116.3° | 125.6° |
| C04 | C37 | N38 | C39 | 162.9° | 179.6° |
| C04 | C37 | O36 | C07 | 21.1° | 26.0° |
| C37 | C04 | C05 | C07 | 27.6° | 11.8° |
| C37 | C04 | C05 | O06 | 90.9° | 130.7° |
| C37 | C04 | C05 | H20 | 147.4° | 107.1° |
| C05 | C04 | C37 | N38 | 94.7° | 135.0° |
| C05 | C04 | C37 | O36 | 30.4° | 22.8° |
| C04 | C05 | C07 | O36 | 15.5° | 3.1° |
| C04 | C05 | C07 | O06 | 118.3° | 118.9° |
| C04 | C05 | C07 | H20 | 118.1° | 118.9° |
| C04 | C05 | O06 | H20 | 120.3° | 122.1° |
| C04 | C05 | C07 | C08 | 103.5° | 116.5° |
| C05 | C04 | C37 | H9 | 148.8° | 102.3° |
| C04 | C05 | C07 | H21 | 135.0° | 122.8° |
| C04 | C05 | O06 | H30 | 180.0° | 180.0° |
| O35 | C34 | C19 | H3 | 20.7° | 23.6° |
| O35 | C34 | C32 | H7 | 157.4° | 122.6° |
| N38 | C37 | O36 | H9 | 127.7° | 125.7° |
| C37 | N38 | C39 | C40 | 105.0° | 90.0° |
| N38 | C37 | O36 | C07 | 95.0° | 134.8° |
| C37 | N38 | C39 | H10 | 15.1° | 30.0° |
| C37 | N38 | C39 | H11 | 134.9° | 150.0° |
| N38 | C37 | C04 | H19 | 146.6° | 102.9° |
| O36 | C37 | N38 | C39 | 46.1° | 69.2° |
| C37 | O36 | C07 | C05 | 4.0° | 18.6° |
| C37 | O36 | C07 | C08 | 123.5° | 101.1° |
| O36 | C37 | C04 | H19 | 88.3° | 144.9° |
| C37 | O36 | C07 | H21 | 117.8° | 138.3° |
| O17 | P14 | O13 | O16 | 119.2° | 120.0° |
| O17 | P14 | O13 | P10 | 104.1° | 160.0° |
| P14 | O17 | C18 | H1 | 43.3° | 60.0° |
| P14 | O17 | C18 | H2 | 77.4° | 60.1° |
| O17 | P14 | O16 | H31 | 122.0° | 60.0° |
| P14 | O13 | P10 | O11 | 172.8° | 40.0° |
| P14 | O13 | P10 | O09 | 68.9° | 160.0° |
| P14 | O13 | P10 | O12 | 52.2° | 80.0° |
| O13 | P14 | O16 | H31 | 121.6° | 60.0° |
| O16 | P14 | O13 | P10 | 15.1° | 80.0° |
| N38 | C39 | C40 | H10 | 120.1° | 120.1° |
| N38 | C39 | C40 | H11 | 120.1° | 120.0° |
| N38 | C39 | C40 | C41 | 152.4° | 180.0° |
| C39 | N38 | C37 | H9 | 82.1° | 56.4° |
| N38 | C39 | H10 | H11 | 119.6° | 120.0° |
| N38 | C39 | C40 | H13 | 87.7° | 60.0° |
| N38 | C39 | C40 | H14 | 32.5° | 60.0° |
| O13 | P10 | O09 | C08 | 84.8° | 175.0° |
| O13 | P10 | O11 | O09 | 117.1° | 120.0° |
| O13 | P10 | O11 | O12 | 120.2° | 120.0° |
| O13 | P10 | O09 | O12 | 120.9° | 120.0° |
| O13 | P10 | O12 | H12 | 118.1° | 60.0° |
| C39 | C40 | C41 | H13 | 119.9° | 120.0° |
| C39 | C40 | C41 | H14 | 119.9° | 120.0° |
| C39 | C40 | C41 | C42 | 107.8° | 180.0° |
| C40 | C39 | H10 | H11 | 119.7° | 119.9° |
| C39 | C40 | H13 | H14 | 120.2° | 120.0° |
| C39 | C40 | C41 | H15 | 131.6° | 60.0° |
| C39 | C40 | C41 | H16 | 12.8° | 60.0° |
| O36 | C07 | C05 | C08 | 119.0° | 119.6° |
| O36 | C07 | C05 | H21 | 119.4° | 119.7° |
| O36 | C07 | C05 | O06 | 102.8° | 115.7° |
| O36 | C07 | C08 | H21 | 118.3° | 120.6° |
| O36 | C07 | C08 | O09 | 52.6° | 66.4° |
| C07 | O36 | C37 | H9 | 137.4° | 99.6° |
| O36 | C07 | C05 | H20 | 133.7° | 122.0° |
| O36 | C07 | C08 | H22 | 172.3° | 173.6° |
| O36 | C07 | C08 | H23 | 67.2° | 53.7° |
| C07 | C05 | O06 | H20 | 123.7° | 122.1° |
| C05 | C07 | C08 | H21 | 123.4° | 120.8° |
| C05 | C07 | C08 | O09 | 170.9° | 175.0° |
| C07 | C05 | C04 | H19 | 90.8° | 134.0° |
| C05 | C07 | C08 | H22 | 69.4° | 55.0° |
| C05 | C07 | C08 | H23 | 51.1° | 64.9° |
| C07 | C05 | O06 | H30 | 63.9° | 64.3° |
| O06 | C05 | C07 | C08 | 138.2° | 124.6° |
| O06 | C05 | C04 | H19 | 150.7° | 107.1° |
| O06 | C05 | C07 | H21 | 16.6° | 3.9° |
| C07 | C08 | O09 | H22 | 119.8° | 120.0° |
| C07 | C08 | O09 | H23 | 119.7° | 120.1° |
| C07 | C08 | O09 | P10 | 164.6° | 180.0° |
| C08 | C07 | C05 | H20 | 14.7° | 2.4° |
| C07 | C08 | H22 | H23 | 120.8° | 120.0° |
| C08 | O09 | P10 | O11 | 31.4° | 55.0° |
| C08 | O09 | P10 | O12 | 154.3° | 65.0° |
| O09 | C08 | C07 | H21 | 65.7° | 54.2° |
| O09 | C08 | H22 | H23 | 120.8° | 120.0° |
| O11 | P10 | O09 | O12 | 122.9° | 120.0° |
| O11 | P10 | O12 | H12 | 0.0° | 180.0° |
| O09 | P10 | O12 | H12 | 122.3° | 60.0° |
| P10 | O09 | C08 | H22 | 75.6° | 60.0° |
| P10 | O09 | C08 | H23 | 44.9° | 59.9° |
| C40 | C41 | C42 | H15 | 120.6° | 120.0° |
| C40 | C41 | C42 | H16 | 120.6° | 120.0° |
| C40 | C41 | C42 | N43 | 44.3° | 65.0° |
| C40 | C41 | C42 | C44 | 165.4° | 175.0° |
| C41 | C40 | C39 | H10 | 32.3° | 59.9° |
| C41 | C40 | C39 | H11 | 87.5° | 60.0° |
| C41 | C40 | H13 | H14 | 120.2° | 120.0° |
| C40 | C41 | H15 | H16 | 118.0° | 120.0° |
| C40 | C41 | C42 | H17 | 75.5° | 55.0° |
| C41 | C42 | N43 | C44 | 121.4° | 120.0° |
| C41 | C42 | N43 | H17 | 118.7° | 120.0° |
| C41 | C42 | C44 | H17 | 119.0° | 120.0° |
| C41 | C42 | C44 | O45 | 46.9° | 120.0° |
| C42 | C41 | C40 | H13 | 12.1° | 60.0° |
| C42 | C41 | C40 | H14 | 132.3° | 60.0° |
| C42 | C41 | H15 | H16 | 118.0° | 120.0° |
| C41 | C42 | C44 | H18 | 133.1° | 60.1° |
| C41 | C42 | N43 | H27 | 180.0° | 64.0° |
| C41 | C42 | N43 | H28 | 60.0° | 60.0° |
| N43 | C42 | C44 | H17 | 120.8° | 120.0° |
| N43 | C42 | C44 | O45 | 73.3° | 0.0° |
| N43 | C42 | C41 | H15 | 76.3° | 55.0° |
| N43 | C42 | C41 | H16 | 164.9° | 175.0° |
| N43 | C42 | C44 | H18 | 106.7° | 179.9° |
| C42 | N43 | H27 | H28 | 120.0° | 124.0° |
| C42 | C44 | O45 | H18 | 180.0° | 179.9° |
| C44 | C42 | C41 | H15 | 44.7° | 65.0° |
| C44 | C42 | C41 | H16 | 74.0° | 55.0° |
| C44 | C42 | N43 | H27 | 58.6° | 176.0° |
| C44 | C42 | N43 | H28 | 178.6° | 60.0° |
| O45 | C44 | C42 | H17 | 165.9° | 120.0° |
| H1 | C18 | C19 | H3 | 94.1° | 67.3° |
| H2 | C18 | C19 | H3 | 26.6° | 172.7° |
| H3 | C19 | C34 | H8 | 102.5° | 146.4° |
| H4 | C21 | C32 | H7 | 159.0° | 146.3° |
| H7 | C32 | C34 | H8 | 35.5° | 0.1° |
| H7 | C32 | O33 | H32 | 57.4° | 57.4° |
| H8 | C34 | O35 | H33 | 59.0° | 57.3° |
| H9 | C37 | C04 | H19 | 30.1° | 19.8° |
| H10 | C39 | C40 | H13 | 152.2° | 60.1° |
| H10 | C39 | C40 | H14 | 87.6° | 180.0° |
| H11 | C39 | C40 | H13 | 32.4° | NaN° |
| H11 | C39 | C40 | H14 | 152.6° | 60.0° |
| H13 | C40 | C41 | H15 | 108.5° | 180.0° |
| H13 | C40 | C41 | H16 | 132.8° | 60.0° |
| H14 | C40 | C41 | H15 | 11.6° | 60.0° |
| H14 | C40 | C41 | H16 | 107.1° | 180.0° |
| H15 | C41 | C42 | H17 | 163.9° | 175.0° |
| H16 | C41 | C42 | H17 | 45.2° | 65.0° |
| H17 | C42 | C44 | H18 | 14.1° | 59.9° |
| H17 | C42 | N43 | H27 | 61.3° | 56.0° |
| H17 | C42 | N43 | H28 | 58.7° | 180.0° |
| H19 | C04 | C05 | H20 | 29.0° | 15.1° |
| H20 | C05 | C07 | H21 | 106.9° | 118.3° |
| H20 | C05 | O06 | H30 | 59.7° | 57.8° |
| H21 | C07 | C08 | H22 | 54.0° | 65.8° |
| H21 | C07 | C08 | H23 | 174.5° | 174.3° |
