9B7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C02 | doub | 1.22Å | 1.18Å | |
| N03 | C02 | sing | 1.35Å | 1.44Å | |
| N03 | C04 | doub | 1.30Å | 1.45Å | |
| O36 | C35 | doub | 1.22Å | 1.18Å | |
| C02 | C07 | sing | 1.47Å | 1.53Å | |
| N34 | C35 | sing | 1.35Å | 1.44Å | |
| N34 | C33 | doub | 1.30Å | 1.45Å | |
| C35 | C37 | sing | 1.46Å | 1.53Å | |
| C04 | N05 | sing | 1.34Å | 1.47Å | |
| C33 | N32 | sing | 1.34Å | 1.47Å | |
| C07 | N08 | sing | 1.35Å | 1.34Å | Aromatic |
| C07 | C06 | doub | 1.39Å | 1.38Å | Aromatic |
| N08 | C09 | doub | 1.30Å | 1.32Å | Aromatic |
| C37 | N38 | sing | 1.35Å | 1.34Å | Aromatic |
| C37 | C31 | doub | 1.39Å | 1.39Å | Aromatic |
| N05 | C06 | sing | 1.37Å | 1.49Å | |
| N32 | C31 | sing | 1.37Å | 1.49Å | |
| C06 | N10 | sing | 1.36Å | 1.34Å | Aromatic |
| N38 | C39 | doub | 1.30Å | 1.33Å | Aromatic |
| C31 | N30 | sing | 1.36Å | 1.34Å | Aromatic |
| C09 | N10 | sing | 1.36Å | 1.32Å | Aromatic |
| N10 | C11 | sing | 1.47Å | 1.32Å | |
| C39 | N30 | sing | 1.36Å | 1.32Å | Aromatic |
| N30 | C29 | sing | 1.46Å | 1.50Å | |
| C11 | C43 | sing | 1.54Å | 1.57Å | |
| C11 | O12 | sing | 1.43Å | 1.56Å | |
| O17 | P16 | doub | 1.48Å | 1.51Å | |
| C29 | C27 | sing | 1.54Å | 1.55Å | |
| C29 | O40 | sing | 1.43Å | 1.29Å | |
| C43 | O44 | sing | 1.43Å | 1.50Å | |
| C43 | C19 | sing | 1.54Å | 1.27Å | |
| O12 | C13 | sing | 1.43Å | 1.28Å | |
| C27 | O28 | sing | 1.43Å | 1.36Å | |
| C27 | C25 | sing | 1.54Å | 1.52Å | |
| C19 | C13 | sing | 1.54Å | 1.67Å | |
| C19 | O20 | sing | 1.43Å | 1.45Å | |
| O40 | C24 | sing | 1.43Å | 1.63Å | |
| O42 | P21 | doub | 1.48Å | 1.51Å | |
| O15 | P16 | sing | 1.61Å | 1.66Å | |
| O15 | C14 | sing | 1.43Å | 1.40Å | |
| C25 | C24 | sing | 1.54Å | 1.29Å | |
| C25 | O26 | sing | 1.43Å | 1.51Å | |
| P16 | O26 | sing | 1.61Å | 1.66Å | |
| P16 | O18 | sing | 1.61Å | 1.51Å | |
| C13 | C14 | sing | 1.53Å | 1.51Å | |
| O22 | P21 | sing | 1.61Å | 1.67Å | |
| O22 | C23 | sing | 1.43Å | 1.42Å | |
| C24 | C23 | sing | 1.53Å | 1.52Å | |
| O20 | P21 | sing | 1.61Å | 1.66Å | |
| P21 | O41 | sing | 1.61Å | 1.51Å | |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C14 | H4 | sing | 1.09Å | 1.10Å | |
| C19 | H5 | sing | 1.09Å | 1.10Å | |
| C23 | H6 | sing | 1.09Å | 1.10Å | |
| C23 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C25 | H9 | sing | 1.09Å | 1.10Å | |
| C27 | H10 | sing | 1.09Å | 1.10Å | |
| C29 | H11 | sing | 1.09Å | 1.10Å | |
| C39 | H12 | sing | 1.08Å | 1.08Å | |
| C04 | H13 | sing | 1.08Å | 1.08Å | |
| N05 | H14 | sing | 0.97Å | 1.00Å | |
| C09 | H15 | sing | 1.08Å | 1.08Å | |
| O18 | H16 | sing | 0.97Å | 0.95Å | |
| O28 | H17 | sing | 0.97Å | 0.95Å | |
| N32 | H18 | sing | 0.97Å | 1.00Å | |
| C33 | H19 | sing | 1.08Å | 1.08Å | |
| O41 | H20 | sing | 0.97Å | 0.95Å | |
| C43 | H21 | sing | 1.09Å | 1.10Å | |
| O44 | H22 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | N03 | 120.0° | 120.9° |
| O01 | C02 | C07 | 120.0° | 120.9° |
| C02 | N03 | C04 | 119.7° | 121.4° |
| N03 | C02 | C07 | 120.0° | 118.2° |
| N03 | C04 | N05 | 120.0° | 122.9° |
| N03 | C04 | H13 | 120.0° | 118.5° |
| O36 | C35 | N34 | 120.0° | 120.9° |
| O36 | C35 | C37 | 120.0° | 120.8° |
| C02 | C07 | N08 | 133.2° | 134.7° |
| C02 | C07 | C06 | 120.1° | 117.9° |
| C35 | N34 | C33 | 119.8° | 121.3° |
| N34 | C35 | C37 | 120.0° | 118.3° |
| N34 | C33 | N32 | 120.1° | 123.0° |
| N34 | C33 | H19 | 120.0° | 118.4° |
| C35 | C37 | N38 | 132.9° | 134.7° |
| C35 | C37 | C31 | 119.9° | 117.9° |
| C04 | N05 | C06 | 120.2° | 120.7° |
| N05 | C04 | H13 | 120.0° | 118.5° |
| C04 | N05 | H14 | 119.9° | 119.6° |
| C33 | N32 | C31 | 120.0° | 120.7° |
| C33 | N32 | H18 | 120.0° | 119.6° |
| N32 | C33 | H19 | 120.0° | 118.6° |
| N08 | C07 | C06 | 106.7° | 107.4° |
| C07 | N08 | C09 | 108.6° | 109.2° |
| C07 | C06 | N05 | 120.1° | 118.8° |
| C07 | C06 | N10 | 107.0° | 106.3° |
| N08 | C09 | N10 | 109.3° | 109.6° |
| N08 | C09 | H15 | 125.4° | 125.3° |
| N38 | C37 | C31 | 107.2° | 107.4° |
| C37 | N38 | C39 | 108.1° | 109.1° |
| C37 | C31 | N32 | 120.2° | 118.8° |
| C37 | C31 | N30 | 106.8° | 106.4° |
| N05 | C06 | N10 | 132.9° | 134.9° |
| C06 | N05 | H14 | 119.9° | 119.6° |
| N32 | C31 | N30 | 133.0° | 134.9° |
| C31 | N32 | H18 | 120.0° | 119.7° |
| C06 | N10 | C09 | 108.4° | 107.6° |
| C06 | N10 | C11 | 125.7° | 126.2° |
| N38 | C39 | N30 | 109.7° | 109.6° |
| N38 | C39 | H12 | 125.2° | 125.2° |
| C31 | N30 | C39 | 108.3° | 107.5° |
| C31 | N30 | C29 | 125.6° | 126.3° |
| C09 | N10 | C11 | 125.9° | 126.2° |
| N10 | C09 | H15 | 125.3° | 125.2° |
| N10 | C11 | C43 | 110.2° | 109.8° |
| N10 | C11 | O12 | 110.7° | 109.7° |
| N10 | C11 | H1 | 112.8° | 109.6° |
| C39 | N30 | C29 | 126.1° | 126.2° |
| N30 | C39 | H12 | 125.2° | 125.2° |
| N30 | C29 | C27 | 108.0° | 109.7° |
| N30 | C29 | O40 | 110.6° | 109.7° |
| N30 | C29 | H11 | 109.9° | 109.6° |
| C43 | C11 | O12 | 104.7° | 108.2° |
| C11 | C43 | O44 | 110.2° | 110.4° |
| C11 | C43 | C19 | 103.7° | 105.0° |
| C43 | C11 | H1 | 109.0° | 109.7° |
| C11 | C43 | H21 | 109.0° | 110.3° |
| C11 | O12 | C13 | 104.9° | 109.6° |
| O12 | C11 | H1 | 109.1° | 109.8° |
| O17 | P16 | O15 | 113.4° | 109.4° |
| O17 | P16 | O26 | 113.5° | 109.4° |
| O17 | P16 | O18 | 104.8° | 109.4° |
| C27 | C29 | O40 | 105.5° | 108.5° |
| C29 | C27 | O28 | 110.5° | 110.4° |
| C29 | C27 | C25 | 101.1° | 104.8° |
| C29 | C27 | H10 | 110.2° | 110.4° |
| C27 | C29 | H11 | 109.2° | 109.6° |
| C29 | O40 | C24 | 106.8° | 109.7° |
| O40 | C29 | H11 | 113.4° | 109.7° |
| O44 | C43 | C19 | 110.1° | 110.4° |
| O44 | C43 | H21 | 109.9° | 110.4° |
| C43 | O44 | H22 | 109.5° | 114.0° |
| C43 | C19 | C13 | 103.4° | 104.9° |
| C43 | C19 | O20 | 110.8° | 110.4° |
| C43 | C19 | H5 | 113.4° | 110.3° |
| C19 | C43 | H21 | 113.8° | 110.3° |
| O12 | C13 | C19 | 104.3° | 107.6° |
| O12 | C13 | C14 | 110.7° | 109.9° |
| O12 | C13 | H2 | 113.4° | 109.9° |
| O28 | C27 | C25 | 110.4° | 110.3° |
| O28 | C27 | H10 | 113.2° | 110.4° |
| C27 | O28 | H17 | 109.5° | 114.0° |
| C27 | C25 | C24 | 101.1° | 104.8° |
| C27 | C25 | O26 | 111.2° | 110.7° |
| C27 | C25 | H9 | 109.4° | 110.0° |
| C25 | C27 | H10 | 110.7° | 110.4° |
| C13 | C19 | O20 | 111.1° | 110.4° |
| C19 | C13 | C14 | 110.5° | 109.9° |
| C19 | C13 | H2 | 107.8° | 109.5° |
| C13 | C19 | H5 | 107.6° | 110.4° |
| C19 | O20 | P21 | 117.6° | 123.0° |
| O20 | C19 | H5 | 110.3° | 110.3° |
| O40 | C24 | C25 | 103.6° | 107.4° |
| O40 | C24 | C23 | 111.5° | 109.8° |
| O40 | C24 | H8 | 108.1° | 109.9° |
| O42 | P21 | O22 | 104.7° | 109.5° |
| O42 | P21 | O20 | 104.8° | 109.5° |
| O42 | P21 | O41 | 104.8° | 109.5° |
| P16 | O15 | C14 | 119.0° | 123.2° |
| O15 | P16 | O26 | 114.1° | 109.8° |
| O15 | P16 | O18 | 104.8° | 109.4° |
| O15 | C14 | C13 | 108.1° | 109.4° |
| O15 | C14 | H3 | 109.8° | 109.5° |
| O15 | C14 | H4 | 109.8° | 109.5° |
| C24 | C25 | O26 | 112.2° | 110.7° |
| C25 | C24 | C23 | 110.9° | 109.9° |
| C25 | C24 | H8 | 113.1° | 109.8° |
| C24 | C25 | H9 | 113.0° | 110.2° |
| C25 | O26 | P16 | 117.1° | 123.3° |
| O26 | C25 | H9 | 109.6° | 110.4° |
| O26 | P16 | O18 | 104.9° | 109.4° |
| P16 | O18 | H16 | 109.5° | 114.0° |
| C14 | C13 | H2 | 109.9° | 110.0° |
| C13 | C14 | H3 | 109.8° | 109.4° |
| C13 | C14 | H4 | 109.8° | 109.5° |
| P21 | O22 | C23 | 117.8° | 123.4° |
| O22 | P21 | O20 | 113.5° | 109.4° |
| O22 | P21 | O41 | 113.9° | 109.5° |
| O22 | C23 | C24 | 108.9° | 109.2° |
| O22 | C23 | H6 | 109.6° | 109.5° |
| O22 | C23 | H7 | 109.6° | 109.6° |
| C24 | C23 | H6 | 109.6° | 109.5° |
| C24 | C23 | H7 | 109.6° | 109.5° |
| C23 | C24 | H8 | 109.5° | 110.1° |
| O20 | P21 | O41 | 113.8° | 109.4° |
| P21 | O41 | H20 | 109.5° | 113.9° |
| H3 | C14 | H4 | 109.5° | 109.5° |
| H6 | C23 | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | N03 | C07 | 179.9° | 179.7° |
| O01 | C02 | N03 | C04 | 180.0° | 180.0° |
| O01 | C02 | C07 | N08 | 0.1° | 0.0° |
| O01 | C02 | C07 | C06 | 180.0° | 179.8° |
| C02 | N03 | C04 | N05 | 0.0° | 0.1° |
| N03 | C02 | C07 | N08 | 180.0° | 179.7° |
| N03 | C02 | C07 | C06 | 0.1° | 0.5° |
| C02 | N03 | C04 | H13 | 179.9° | 180.0° |
| C04 | N03 | C02 | C07 | 0.1° | 0.3° |
| N03 | C04 | N05 | H13 | 180.0° | 179.9° |
| N03 | C04 | N05 | C06 | 0.0° | 0.1° |
| N03 | C04 | N05 | H14 | 180.0° | 180.0° |
| O36 | C35 | N34 | C37 | 179.9° | 179.9° |
| O36 | C35 | N34 | C33 | 180.0° | 179.6° |
| O36 | C35 | C37 | N38 | 0.0° | 0.1° |
| O36 | C35 | C37 | C31 | 180.0° | 180.0° |
| C02 | C07 | N08 | C06 | 179.9° | 179.7° |
| C02 | C07 | N08 | C09 | 179.9° | 180.0° |
| C02 | C07 | C06 | N05 | 0.0° | 0.5° |
| C02 | C07 | C06 | N10 | 179.9° | 179.7° |
| C35 | N34 | C33 | N32 | 0.0° | 0.4° |
| N34 | C35 | C37 | N38 | 180.0° | 179.8° |
| N34 | C35 | C37 | C31 | 0.1° | 0.1° |
| C35 | N34 | C33 | H19 | 180.0° | 179.6° |
| C33 | N34 | C35 | C37 | 0.0° | 0.5° |
| N34 | C33 | N32 | H19 | 180.0° | 179.9° |
| N34 | C33 | N32 | C31 | 0.0° | 0.0° |
| N34 | C33 | N32 | H18 | 180.0° | 180.0° |
| C35 | C37 | N38 | C31 | 180.0° | 179.9° |
| C35 | C37 | C31 | N32 | 0.1° | 0.3° |
| C35 | C37 | N38 | C39 | 180.0° | 179.9° |
| C35 | C37 | C31 | N30 | 179.8° | 180.0° |
| C04 | N05 | C06 | C07 | 0.1° | 0.3° |
| C04 | N05 | C06 | H14 | 180.0° | 179.9° |
| C04 | N05 | C06 | N10 | 179.9° | 180.0° |
| C33 | N32 | C31 | C37 | 0.0° | 0.4° |
| C33 | N32 | C31 | H18 | 180.0° | 180.0° |
| C33 | N32 | C31 | N30 | 179.8° | 180.0° |
| N08 | C07 | C06 | N05 | 179.9° | 179.7° |
| N08 | C07 | C06 | N10 | 0.0° | 0.1° |
| C07 | N08 | C09 | N10 | 0.0° | 0.6° |
| C07 | N08 | C09 | H15 | 180.0° | 180.0° |
| C06 | C07 | N08 | C09 | 0.0° | 0.3° |
| C07 | C06 | N05 | N10 | 179.9° | 179.7° |
| C07 | C06 | N10 | C09 | 0.0° | 0.4° |
| C07 | C06 | N10 | C11 | 179.9° | 179.8° |
| C07 | C06 | N05 | H14 | 179.9° | 179.8° |
| N08 | C09 | N10 | C06 | 0.0° | 0.6° |
| N08 | C09 | N10 | H15 | 180.0° | 179.4° |
| N08 | C09 | N10 | C11 | 179.9° | 180.0° |
| N38 | C37 | C31 | N32 | 180.0° | 179.8° |
| N38 | C37 | C31 | N30 | 0.1° | 0.0° |
| C37 | N38 | C39 | N30 | 0.2° | 0.0° |
| C37 | N38 | C39 | H12 | 179.8° | 179.9° |
| C37 | C31 | N32 | N30 | 179.9° | 179.6° |
| C31 | C37 | N38 | C39 | 0.0° | 0.0° |
| C37 | C31 | N30 | C39 | 0.3° | 0.1° |
| C37 | C31 | N30 | C29 | 179.6° | 180.0° |
| C37 | C31 | N32 | H18 | 180.0° | 179.6° |
| N05 | C06 | N10 | C09 | 179.9° | 179.3° |
| N05 | C06 | N10 | C11 | 0.2° | 0.0° |
| C06 | N05 | C04 | H13 | 180.0° | 180.0° |
| N32 | C31 | N30 | C39 | 179.9° | 179.7° |
| N32 | C31 | N30 | C29 | 0.5° | 0.3° |
| C31 | N32 | C33 | H19 | 180.0° | 179.9° |
| C06 | N10 | C09 | C11 | 179.9° | 179.3° |
| C06 | N10 | C11 | C43 | 79.2° | 84.9° |
| C06 | N10 | C11 | O12 | 165.4° | 156.3° |
| C06 | N10 | C11 | H1 | 42.8° | 35.7° |
| N10 | C06 | N05 | H14 | 0.1° | 0.1° |
| C06 | N10 | C09 | H15 | 180.0° | 180.0° |
| N38 | C39 | N30 | C31 | 0.3° | 0.1° |
| N38 | C39 | N30 | H12 | 180.0° | 179.9° |
| N38 | C39 | N30 | C29 | 179.6° | 180.0° |
| C31 | N30 | C39 | C29 | 179.3° | 180.0° |
| C31 | N30 | C29 | C27 | 66.4° | 85.0° |
| C31 | N30 | C29 | O40 | 178.6° | 155.9° |
| C31 | N30 | C29 | H11 | 52.6° | 35.4° |
| C31 | N30 | C39 | H12 | 179.7° | 179.9° |
| N30 | C31 | N32 | H18 | 0.1° | 0.0° |
| C09 | N10 | C11 | C43 | 100.7° | 94.3° |
| C09 | N10 | C11 | O12 | 14.7° | 24.5° |
| C09 | N10 | C11 | H1 | 137.3° | 145.1° |
| N10 | C11 | C43 | O12 | 119.1° | 119.7° |
| N10 | C11 | C43 | H1 | 124.3° | 120.5° |
| N10 | C11 | O12 | H1 | 124.7° | 120.5° |
| N10 | C11 | C43 | O44 | 144.5° | 112.6° |
| N10 | C11 | C43 | C19 | 97.7° | 128.4° |
| N10 | C11 | O12 | C13 | 128.3° | 139.6° |
| C11 | N10 | C09 | H15 | 0.1° | 0.6° |
| N10 | C11 | C43 | H21 | 23.9° | 9.6° |
| C39 | N30 | C29 | C27 | 112.8° | 95.0° |
| C39 | N30 | C29 | O40 | 2.2° | 24.1° |
| C39 | N30 | C29 | H11 | 128.2° | 144.6° |
| N30 | C29 | C27 | O40 | 118.2° | 119.8° |
| N30 | C29 | C27 | H11 | 119.5° | 120.3° |
| N30 | C29 | O40 | H11 | 124.0° | 120.4° |
| N30 | C29 | C27 | O28 | 153.6° | 116.2° |
| N30 | C29 | C27 | C25 | 89.5° | 125.0° |
| N30 | C29 | O40 | C24 | 112.1° | 137.6° |
| N30 | C29 | C27 | H10 | 27.7° | 6.2° |
| C29 | N30 | C39 | H12 | 0.4° | 0.1° |
| C43 | C11 | O12 | H1 | 116.5° | 119.7° |
| C11 | C43 | O44 | C19 | 113.8° | 115.6° |
| C11 | C43 | O44 | H21 | 120.1° | 122.2° |
| C11 | C43 | C19 | H21 | 118.2° | 118.8° |
| C43 | C11 | O12 | C13 | 9.5° | 19.9° |
| C11 | C43 | C19 | C13 | 36.8° | 4.6° |
| C11 | C43 | C19 | O20 | 155.9° | 123.5° |
| C11 | C43 | C19 | H5 | 79.5° | 114.3° |
| C11 | C43 | O44 | H22 | 180.0° | 61.5° |
| O12 | C11 | C43 | O44 | 96.4° | 127.6° |
| O12 | C11 | C43 | C19 | 21.4° | 8.7° |
| C11 | O12 | C13 | C19 | 29.3° | 22.9° |
| C11 | O12 | C13 | C14 | 148.2° | 142.6° |
| C11 | O12 | C13 | H2 | 87.7° | 96.3° |
| O12 | C11 | C43 | H21 | 142.9° | 110.2° |
| O17 | P16 | O15 | O26 | 132.1° | 120.1° |
| O17 | P16 | O15 | O18 | 113.8° | 119.8° |
| O17 | P16 | O15 | C14 | 148.4° | 8.8° |
| O17 | P16 | O26 | C25 | 55.7° | 4.5° |
| O17 | P16 | O26 | O18 | 113.8° | 119.8° |
| O17 | P16 | O18 | H16 | 0.0° | 60.0° |
| C27 | C29 | O40 | H11 | 119.5° | 119.8° |
| C29 | C27 | O28 | C25 | 111.0° | 115.4° |
| C29 | C27 | O28 | H10 | 124.2° | 122.4° |
| C29 | C27 | C25 | H10 | 116.8° | 118.9° |
| C27 | C29 | O40 | C24 | 4.4° | 17.8° |
| C29 | C27 | C25 | C24 | 45.9° | 8.1° |
| C29 | C27 | C25 | O26 | 165.3° | 127.4° |
| C29 | C27 | C25 | H9 | 73.5° | 110.3° |
| C29 | C27 | O28 | H17 | 180.0° | 64.6° |
| O40 | C29 | C27 | O28 | 88.1° | 124.0° |
| O40 | C29 | C27 | C25 | 28.8° | 5.2° |
| C29 | O40 | C24 | C25 | 26.1° | 23.1° |
| C29 | O40 | C24 | C23 | 145.5° | 142.6° |
| C29 | O40 | C24 | H8 | 94.1° | 96.2° |
| O40 | C29 | C27 | H10 | 146.0° | 113.7° |
| O44 | C43 | C19 | H21 | 123.9° | 122.2° |
| O44 | C43 | C19 | C13 | 81.0° | 114.3° |
| O44 | C43 | C19 | O20 | 38.0° | 4.6° |
| O44 | C43 | C11 | H1 | 20.2° | 7.9° |
| O44 | C43 | C19 | H5 | 162.7° | 126.8° |
| C43 | C19 | C13 | O12 | 46.6° | 16.4° |
| C43 | C19 | C13 | O20 | 118.9° | 119.0° |
| C43 | C19 | C13 | H5 | 120.3° | 118.8° |
| C43 | C19 | O20 | H5 | 126.4° | 122.2° |
| C43 | C19 | C13 | C14 | 165.7° | 136.1° |
| C43 | C19 | O20 | P21 | 112.9° | 135.5° |
| C19 | C43 | C11 | H1 | 138.0° | 111.0° |
| C43 | C19 | C13 | H2 | 74.2° | 102.9° |
| C19 | C43 | O44 | H22 | 66.2° | 177.1° |
| O12 | C13 | C19 | C14 | 119.0° | 119.7° |
| O12 | C13 | C19 | H2 | 120.8° | 119.4° |
| O12 | C13 | C19 | O20 | 165.5° | 135.4° |
| O12 | C13 | C14 | O15 | 4.0° | 122.0° |
| O12 | C13 | C14 | H2 | 126.1° | 121.1° |
| C13 | O12 | C11 | H1 | 107.0° | 99.8° |
| O12 | C13 | C14 | H3 | 123.8° | 118.0° |
| O12 | C13 | C14 | H4 | 115.8° | 2.0° |
| O12 | C13 | C19 | H5 | 73.7° | 102.4° |
| O28 | C27 | C25 | H10 | 126.2° | 122.3° |
| O28 | C27 | C25 | C24 | 71.0° | 110.7° |
| O28 | C27 | C25 | O26 | 48.3° | 8.6° |
| O28 | C27 | C25 | H9 | 169.5° | 130.8° |
| O28 | C27 | C29 | H11 | 34.1° | 4.2° |
| C27 | C25 | C24 | O40 | 42.6° | 18.9° |
| C27 | C25 | C24 | O26 | 118.6° | 119.3° |
| C27 | C25 | C24 | H9 | 116.9° | 118.3° |
| C27 | C25 | O26 | H9 | 121.1° | 122.0° |
| C27 | C25 | O26 | P16 | 85.5° | 110.2° |
| C27 | C25 | C24 | C23 | 162.4° | 138.3° |
| C27 | C25 | C24 | H8 | 74.1° | 100.6° |
| C25 | C27 | C29 | H11 | 151.0° | 114.6° |
| C25 | C27 | O28 | H17 | 69.0° | 180.0° |
| C13 | C19 | O20 | H5 | 119.2° | 122.3° |
| C19 | C13 | C14 | O15 | 111.0° | 119.8° |
| C19 | C13 | C14 | H2 | 118.9° | 120.7° |
| C13 | C19 | O20 | P21 | 132.8° | 109.0° |
| C19 | C13 | C14 | H3 | 8.8° | 0.2° |
| C19 | C13 | C14 | H4 | 129.2° | 120.2° |
| C13 | C19 | C43 | H21 | 155.1° | 123.4° |
| C19 | O20 | P21 | O42 | 76.0° | 29.5° |
| O20 | C19 | C13 | C14 | 75.4° | 104.9° |
| C19 | O20 | P21 | O22 | 37.6° | 90.5° |
| C19 | O20 | P21 | O41 | 170.1° | 149.6° |
| O20 | C19 | C13 | H2 | 44.7° | 16.0° |
| O20 | C19 | C43 | H21 | 85.9° | 117.6° |
| O40 | C24 | C25 | C23 | 119.8° | 119.4° |
| O40 | C24 | C25 | H8 | 116.7° | 119.4° |
| O40 | C24 | C25 | O26 | 161.2° | 138.2° |
| O40 | C24 | C23 | O22 | 39.1° | 175.0° |
| O40 | C24 | C23 | H8 | 119.6° | 121.1° |
| O40 | C24 | C23 | H6 | 159.0° | 55.1° |
| O40 | C24 | C23 | H7 | 80.8° | 65.0° |
| O40 | C24 | C25 | H9 | 74.3° | 99.5° |
| C24 | O40 | C29 | H11 | 123.9° | 102.0° |
| O42 | P21 | O22 | O20 | 113.7° | 120.0° |
| O42 | P21 | O22 | O41 | 113.9° | 120.1° |
| O42 | P21 | O22 | C23 | 165.4° | 70.2° |
| O42 | P21 | O20 | O41 | 113.8° | 120.0° |
| O42 | P21 | O41 | H20 | 0.0° | 60.0° |
| O15 | P16 | O26 | C25 | 76.3° | 115.6° |
| O15 | P16 | O26 | O18 | 114.1° | 120.1° |
| P16 | O15 | C14 | C13 | 151.3° | 152.2° |
| P16 | O15 | C14 | H3 | 31.5° | 32.3° |
| P16 | O15 | C14 | H4 | 88.9° | 87.8° |
| O15 | P16 | O18 | H16 | 119.7° | 59.9° |
| C14 | O15 | P16 | O26 | 16.3° | 128.9° |
| C14 | O15 | P16 | O18 | 97.9° | 111.1° |
| O15 | C14 | C13 | H3 | 119.8° | 120.0° |
| O15 | C14 | C13 | H4 | 119.8° | 120.0° |
| O15 | C14 | C13 | H2 | 130.1° | 0.9° |
| O15 | C14 | H3 | H4 | 120.6° | 120.1° |
| C24 | C25 | O26 | H9 | 126.4° | 122.3° |
| C24 | C25 | O26 | P16 | 162.1° | 134.1° |
| C25 | C24 | C23 | O22 | 75.8° | 67.1° |
| C25 | C24 | C23 | H8 | 125.5° | 121.0° |
| C25 | C24 | C23 | H6 | 44.1° | 173.0° |
| C25 | C24 | C23 | H7 | 164.3° | 52.9° |
| C24 | C25 | C27 | H10 | 162.8° | 127.0° |
| C25 | O26 | P16 | O18 | 169.5° | 124.3° |
| O26 | C25 | C24 | C23 | 79.0° | 102.4° |
| O26 | C25 | C24 | H8 | 44.4° | 18.8° |
| O26 | C25 | C27 | H10 | 77.9° | 113.7° |
| P16 | O26 | C25 | H9 | 35.6° | 11.8° |
| O26 | P16 | O18 | H16 | 119.8° | 179.8° |
| C13 | C14 | H3 | H4 | 120.6° | 120.0° |
| C14 | C13 | C19 | H5 | 45.4° | 17.3° |
| P21 | O22 | C23 | C24 | 171.1° | 179.8° |
| O22 | P21 | O20 | O41 | 132.5° | 120.0° |
| P21 | O22 | C23 | H6 | 51.2° | 59.9° |
| P21 | O22 | C23 | H7 | 69.0° | 60.2° |
| O22 | P21 | O41 | H20 | 113.9° | 60.0° |
| O22 | C23 | C24 | H6 | 119.9° | 119.9° |
| O22 | C23 | C24 | H7 | 119.9° | 120.0° |
| C23 | O22 | P21 | O20 | 80.9° | 169.8° |
| C23 | O22 | P21 | O41 | 51.6° | 49.8° |
| O22 | C23 | H6 | H7 | 120.2° | 120.2° |
| O22 | C23 | C24 | H8 | 158.7° | 53.9° |
| C24 | C23 | H6 | H7 | 120.3° | 120.1° |
| C23 | C24 | C25 | H9 | 45.5° | 20.0° |
| P21 | O20 | C19 | H5 | 13.6° | 13.3° |
| O20 | P21 | O41 | H20 | 113.8° | 180.0° |
| H1 | C11 | C43 | H21 | 100.4° | 130.1° |
| H2 | C13 | C14 | H3 | 110.1° | 120.9° |
| H2 | C13 | C14 | H4 | 10.3° | 119.1° |
| H2 | C13 | C19 | H5 | 165.5° | 138.2° |
| H5 | C19 | C43 | H21 | 38.8° | 4.5° |
| H6 | C23 | C24 | H8 | 81.4° | 66.0° |
| H7 | C23 | C24 | H8 | 38.8° | 173.9° |
| H8 | C24 | C25 | H9 | 169.0° | 141.1° |
| H9 | C25 | C27 | H10 | 43.3° | 8.6° |
| H10 | C27 | C29 | H11 | 91.8° | 126.5° |
| H10 | C27 | O28 | H17 | 55.8° | 57.7° |
| H13 | C04 | N05 | H14 | 0.0° | 0.1° |
| H18 | N32 | C33 | H19 | 0.0° | 0.1° |
| H21 | C43 | O44 | H22 | 59.9° | 60.7° |
