9BG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O18 | C17 | sing | 1.43Å | 1.43Å | |
| C15 | C14 | sing | 1.53Å | 1.51Å | |
| C15 | O16 | sing | 1.43Å | 1.45Å | |
| C14 | C17 | sing | 1.54Å | 1.68Å | |
| C14 | O13 | sing | 1.44Å | 1.28Å | |
| C17 | C19 | sing | 1.54Å | 1.30Å | |
| O13 | C12 | sing | 1.44Å | 1.59Å | |
| C19 | O20 | sing | 1.43Å | 1.53Å | |
| C19 | C12 | sing | 1.54Å | 1.55Å | |
| O20 | P21 | sing | 1.61Å | 1.67Å | |
| C12 | N11 | sing | 1.47Å | 1.32Å | |
| O45 | P21 | doub | 1.48Å | 1.46Å | |
| P21 | O46 | sing | 1.61Å | 1.56Å | |
| P21 | O22 | sing | 1.61Å | 1.67Å | |
| N11 | C10 | sing | 1.36Å | 1.36Å | Aromatic |
| N11 | C07 | sing | 1.36Å | 1.35Å | Aromatic |
| C10 | N09 | doub | 1.30Å | 1.38Å | Aromatic |
| O22 | C23 | sing | 1.43Å | 1.41Å | |
| N06 | C07 | sing | 1.37Å | 1.48Å | |
| N06 | C04 | sing | 1.36Å | 1.48Å | |
| C07 | C08 | doub | 1.39Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| N05 | C04 | sing | 1.37Å | 1.42Å | |
| N09 | C08 | sing | 1.35Å | 1.35Å | Aromatic |
| C04 | N03 | doub | 1.32Å | 1.46Å | |
| C08 | C02 | sing | 1.47Å | 1.53Å | |
| O28 | P27 | doub | 1.48Å | 1.51Å | |
| C24 | O44 | sing | 1.44Å | 1.29Å | |
| C24 | C25 | sing | 1.54Å | 1.67Å | |
| O44 | C33 | sing | 1.44Å | 1.55Å | |
| C43 | N42 | doub | 1.30Å | 1.37Å | Aromatic |
| C43 | N34 | sing | 1.36Å | 1.29Å | Aromatic |
| N03 | C02 | sing | 1.34Å | 1.43Å | |
| N42 | C41 | sing | 1.35Å | 1.34Å | Aromatic |
| O30 | P27 | sing | 1.61Å | 1.53Å | |
| C02 | O01 | doub | 1.22Å | 1.19Å | |
| P27 | O29 | sing | 1.61Å | 1.49Å | |
| P27 | O26 | sing | 1.61Å | 1.73Å | |
| C25 | O26 | sing | 1.43Å | 1.49Å | |
| C25 | C31 | sing | 1.55Å | 1.28Å | |
| N34 | C33 | sing | 1.47Å | 1.33Å | |
| N34 | C35 | sing | 1.37Å | 1.39Å | Aromatic |
| C33 | C31 | sing | 1.55Å | 1.58Å | |
| C41 | C35 | doub | 1.40Å | 1.35Å | Aromatic |
| C41 | C39 | sing | 1.41Å | 1.40Å | Aromatic |
| N40 | C39 | sing | 1.38Å | 1.47Å | |
| C31 | O32 | sing | 1.43Å | 1.52Å | |
| C35 | N36 | sing | 1.33Å | 1.38Å | Aromatic |
| C39 | N38 | doub | 1.33Å | 1.34Å | Aromatic |
| N36 | C37 | doub | 1.32Å | 1.30Å | Aromatic |
| N38 | C37 | sing | 1.32Å | 1.31Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C24 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C19 | H6 | sing | 1.09Å | 1.10Å | |
| C23 | H7 | sing | 1.09Å | 1.10Å | |
| C23 | H8 | sing | 1.09Å | 1.10Å | |
| C25 | H9 | sing | 1.09Å | 1.10Å | |
| N05 | H10 | sing | 0.97Å | 1.00Å | |
| N05 | H11 | sing | 0.97Å | 1.00Å | |
| N06 | H12 | sing | 0.97Å | 1.00Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| O16 | H15 | sing | 0.97Å | 0.95Å | |
| O18 | H16 | sing | 0.97Å | 0.95Å | |
| O29 | H17 | sing | 0.97Å | 0.95Å | |
| O30 | H18 | sing | 0.97Å | 0.95Å | |
| C31 | H19 | sing | 1.09Å | 1.10Å | |
| O32 | H20 | sing | 0.97Å | 0.95Å | |
| C33 | H21 | sing | 1.09Å | 1.10Å | |
| C37 | H22 | sing | 1.08Å | 1.08Å | |
| N40 | H23 | sing | 0.97Å | 1.00Å | |
| N40 | H24 | sing | 0.97Å | 1.00Å | |
| C43 | H25 | sing | 1.08Å | 1.08Å | |
| O46 | H26 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O18 | C17 | C14 | 110.0° | 110.6° |
| O18 | C17 | C19 | 110.0° | 110.5° |
| O18 | C17 | H2 | 110.2° | 110.4° |
| C17 | O18 | H16 | 109.5° | 114.0° |
| C14 | C15 | O16 | 108.2° | 109.4° |
| C15 | C14 | C17 | 110.5° | 110.3° |
| C15 | C14 | O13 | 109.7° | 110.4° |
| C15 | C14 | H5 | 109.0° | 110.4° |
| C14 | C15 | H13 | 109.8° | 109.4° |
| C14 | C15 | H14 | 109.8° | 109.4° |
| O16 | C15 | H13 | 109.8° | 109.5° |
| O16 | C15 | H14 | 109.8° | 109.5° |
| C15 | O16 | H15 | 109.5° | 114.0° |
| C17 | C14 | O13 | 108.1° | 104.8° |
| C14 | C17 | C19 | 107.1° | 104.1° |
| C14 | C17 | H2 | 107.1° | 110.6° |
| C17 | C14 | H5 | 107.0° | 110.4° |
| C14 | O13 | C12 | 106.3° | 105.3° |
| O13 | C14 | H5 | 112.7° | 110.4° |
| C17 | C19 | O20 | 110.4° | 110.5° |
| C17 | C19 | C12 | 104.8° | 104.1° |
| C19 | C17 | H2 | 112.3° | 110.5° |
| C17 | C19 | H6 | 113.2° | 110.5° |
| O13 | C12 | C19 | 103.9° | 104.8° |
| O13 | C12 | N11 | 110.8° | 110.3° |
| O13 | C12 | H4 | 108.6° | 110.5° |
| O20 | C19 | C12 | 109.4° | 110.5° |
| C19 | O20 | P21 | 117.2° | 123.0° |
| O20 | C19 | H6 | 109.6° | 110.5° |
| C19 | C12 | N11 | 111.5° | 110.4° |
| C19 | C12 | H4 | 109.2° | 110.4° |
| C12 | C19 | H6 | 109.3° | 110.6° |
| O20 | P21 | O45 | 109.2° | 109.5° |
| O20 | P21 | O46 | 108.9° | 109.5° |
| O20 | P21 | O22 | 109.8° | 109.5° |
| C12 | N11 | C10 | 125.6° | 126.2° |
| C12 | N11 | C07 | 126.1° | 126.2° |
| N11 | C12 | H4 | 112.5° | 110.3° |
| O45 | P21 | O46 | 109.6° | 109.5° |
| O45 | P21 | O22 | 110.1° | 109.5° |
| O46 | P21 | O22 | 109.2° | 109.5° |
| P21 | O46 | H26 | 109.5° | 114.0° |
| P21 | O22 | C23 | 118.1° | 123.0° |
| C10 | N11 | C07 | 108.4° | 107.5° |
| N11 | C10 | N09 | 107.9° | 109.5° |
| N11 | C10 | H1 | 126.1° | 125.2° |
| N11 | C07 | N06 | 132.3° | 134.7° |
| N11 | C07 | C08 | 107.9° | 106.4° |
| C10 | N09 | C08 | 108.3° | 109.1° |
| N09 | C10 | H1 | 126.1° | 125.2° |
| O22 | C23 | C24 | 109.8° | 109.4° |
| O22 | C23 | H7 | 109.4° | 109.5° |
| O22 | C23 | H8 | 109.4° | 109.5° |
| C07 | N06 | C04 | 120.2° | 120.5° |
| N06 | C07 | C08 | 119.8° | 118.9° |
| C07 | N06 | H12 | 119.9° | 119.7° |
| N06 | C04 | N05 | 119.7° | 118.7° |
| N06 | C04 | N03 | 120.1° | 122.5° |
| C04 | N06 | H12 | 119.9° | 119.8° |
| C07 | C08 | N09 | 107.6° | 107.4° |
| C07 | C08 | C02 | 120.5° | 118.1° |
| C23 | C24 | O44 | 109.7° | 109.9° |
| C23 | C24 | C25 | 110.2° | 109.9° |
| C23 | C24 | H3 | 109.3° | 110.0° |
| C24 | C23 | H7 | 109.4° | 109.5° |
| C24 | C23 | H8 | 109.4° | 109.4° |
| N05 | C04 | N03 | 120.2° | 118.8° |
| C04 | N05 | H10 | 120.0° | 120.0° |
| C04 | N05 | H11 | 120.0° | 120.0° |
| N09 | C08 | C02 | 131.9° | 134.5° |
| C04 | N03 | C02 | 119.7° | 121.4° |
| C08 | C02 | N03 | 119.7° | 118.6° |
| C08 | C02 | O01 | 120.2° | 120.7° |
| O28 | P27 | O30 | 109.3° | 109.5° |
| O28 | P27 | O29 | 109.2° | 109.5° |
| O28 | P27 | O26 | 110.3° | 109.5° |
| O44 | C24 | C25 | 107.2° | 107.3° |
| C24 | O44 | C33 | 106.7° | 106.9° |
| O44 | C24 | H3 | 112.9° | 109.9° |
| C24 | C25 | O26 | 111.1° | 110.5° |
| C24 | C25 | C31 | 107.4° | 104.2° |
| C25 | C24 | H3 | 107.4° | 109.8° |
| C24 | C25 | H9 | 106.9° | 110.5° |
| O44 | C33 | N34 | 109.8° | 110.5° |
| O44 | C33 | C31 | 106.2° | 103.5° |
| O44 | C33 | H21 | 108.9° | 110.8° |
| N42 | C43 | N34 | 108.7° | 110.0° |
| C43 | N42 | C41 | 108.3° | 109.4° |
| N42 | C43 | H25 | 125.6° | 125.0° |
| C43 | N34 | C33 | 125.6° | 126.3° |
| C43 | N34 | C35 | 108.4° | 107.5° |
| N34 | C43 | H25 | 125.6° | 125.0° |
| N03 | C02 | O01 | 120.1° | 120.7° |
| N42 | C41 | C35 | 107.6° | 107.2° |
| N42 | C41 | C39 | 134.0° | 134.6° |
| O30 | P27 | O29 | 109.3° | 109.5° |
| O30 | P27 | O26 | 109.7° | 109.4° |
| P27 | O30 | H18 | 109.5° | 114.0° |
| O29 | P27 | O26 | 109.0° | 109.5° |
| P27 | O29 | H17 | 109.5° | 114.0° |
| P27 | O26 | C25 | 120.6° | 123.0° |
| O26 | C25 | C31 | 109.8° | 110.5° |
| O26 | C25 | H9 | 109.2° | 110.4° |
| C25 | C31 | C33 | 106.5° | 102.1° |
| C25 | C31 | O32 | 110.8° | 110.9° |
| C31 | C25 | H9 | 112.4° | 110.6° |
| C25 | C31 | H19 | 112.7° | 110.9° |
| C33 | N34 | C35 | 126.0° | 126.2° |
| N34 | C33 | C31 | 111.1° | 110.6° |
| N34 | C33 | H21 | 112.1° | 110.6° |
| N34 | C35 | C41 | 107.0° | 106.0° |
| N34 | C35 | N36 | 133.1° | 134.9° |
| C33 | C31 | O32 | 109.7° | 110.9° |
| C33 | C31 | H19 | 108.2° | 111.0° |
| C31 | C33 | H21 | 108.5° | 110.7° |
| C35 | C41 | C39 | 118.3° | 118.2° |
| C41 | C35 | N36 | 119.9° | 119.1° |
| C41 | C39 | N40 | 120.6° | 120.8° |
| C41 | C39 | N38 | 118.6° | 118.5° |
| N40 | C39 | N38 | 120.7° | 120.7° |
| C39 | N40 | H23 | 109.5° | 120.0° |
| C39 | N40 | H24 | 109.5° | 120.0° |
| O32 | C31 | H19 | 108.9° | 110.9° |
| C31 | O32 | H20 | 109.5° | 114.0° |
| C35 | N36 | C37 | 119.7° | 120.7° |
| C39 | N38 | C37 | 121.5° | 121.2° |
| N36 | C37 | N38 | 122.0° | 122.4° |
| N36 | C37 | H22 | 119.0° | 118.8° |
| N38 | C37 | H22 | 119.0° | 118.8° |
| H7 | C23 | H8 | 109.5° | 109.5° |
| H10 | N05 | H11 | 120.0° | 120.1° |
| H13 | C15 | H14 | 109.5° | 109.5° |
| H23 | N40 | H24 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O18 | C17 | C14 | C15 | 131.7° | 98.5° |
| O18 | C17 | C14 | C19 | 119.5° | 118.6° |
| O18 | C17 | C14 | H2 | 119.8° | 122.7° |
| O18 | C17 | C14 | O13 | 108.3° | 142.7° |
| O18 | C17 | C19 | H2 | 123.1° | 122.6° |
| O18 | C17 | C19 | O20 | 24.3° | 0.1° |
| O18 | C17 | C19 | C12 | 93.4° | 118.8° |
| O18 | C17 | C14 | H5 | 13.2° | 23.8° |
| O18 | C17 | C19 | H6 | 147.5° | 122.5° |
| C14 | C15 | O16 | H13 | 119.8° | 119.9° |
| C14 | C15 | O16 | H14 | 119.8° | 120.0° |
| C15 | C14 | C17 | O13 | 120.0° | 118.8° |
| C15 | C14 | C17 | H5 | 118.5° | 122.3° |
| C15 | C14 | O13 | H5 | 121.6° | 122.3° |
| C15 | C14 | C17 | C19 | 108.8° | 142.8° |
| C15 | C14 | O13 | C12 | 130.1° | 159.3° |
| C15 | C14 | C17 | H2 | 11.9° | 24.1° |
| C14 | C15 | H13 | H14 | 120.6° | 120.0° |
| C14 | C15 | O16 | H15 | 180.0° | 180.0° |
| O16 | C15 | C14 | C17 | 99.4° | 175.0° |
| O16 | C15 | C14 | O13 | 19.6° | 69.7° |
| O16 | C15 | C14 | H5 | 143.4° | 52.7° |
| O16 | C15 | H13 | H14 | 120.5° | 120.1° |
| C17 | C14 | O13 | H5 | 118.0° | 118.9° |
| C14 | C17 | C19 | H2 | 117.3° | 118.7° |
| C17 | C14 | O13 | C12 | 9.6° | 40.5° |
| C14 | C17 | C19 | O20 | 143.9° | 118.6° |
| C14 | C17 | C19 | C12 | 26.1° | 0.0° |
| C14 | C17 | C19 | H6 | 92.9° | 118.8° |
| C17 | C14 | C15 | H13 | 140.9° | 55.0° |
| C17 | C14 | C15 | H14 | 20.4° | 65.0° |
| C14 | C17 | O18 | H16 | 180.0° | 65.3° |
| O13 | C14 | C17 | C19 | 11.2° | 24.0° |
| C14 | O13 | C12 | C19 | 24.7° | 40.5° |
| C14 | O13 | C12 | N11 | 144.6° | 159.4° |
| O13 | C14 | C17 | H2 | 131.9° | 94.7° |
| C14 | O13 | C12 | H4 | 91.4° | 78.4° |
| O13 | C14 | C15 | H13 | 100.2° | 170.4° |
| O13 | C14 | C15 | H14 | 139.4° | 50.4° |
| C17 | C19 | C12 | O13 | 31.9° | 24.0° |
| C17 | C19 | O20 | C12 | 114.9° | 114.6° |
| C17 | C19 | O20 | H6 | 125.3° | 122.6° |
| C17 | C19 | C12 | H6 | 121.6° | 118.7° |
| C17 | C19 | O20 | P21 | 123.4° | 121.4° |
| C17 | C19 | C12 | N11 | 151.3° | 142.8° |
| C17 | C19 | C12 | H4 | 83.8° | 95.0° |
| C19 | C17 | C14 | H5 | 132.7° | 94.8° |
| C19 | C17 | O18 | H16 | 62.2° | 180.0° |
| O13 | C12 | C19 | O20 | 150.3° | 142.6° |
| O13 | C12 | C19 | N11 | 119.3° | 118.8° |
| O13 | C12 | C19 | H4 | 115.7° | 119.0° |
| O13 | C12 | N11 | H4 | 121.7° | 122.3° |
| O13 | C12 | N11 | C10 | 29.3° | 22.0° |
| O13 | C12 | N11 | C07 | 149.9° | 158.0° |
| C12 | O13 | C14 | H5 | 108.3° | 78.4° |
| O13 | C12 | C19 | H6 | 89.7° | 94.7° |
| O20 | C19 | C12 | H6 | 120.0° | 122.7° |
| O20 | C19 | C12 | N11 | 90.4° | 98.5° |
| C19 | O20 | P21 | O45 | 122.8° | 55.0° |
| C19 | O20 | P21 | O46 | 3.1° | 65.0° |
| C19 | O20 | P21 | O22 | 116.4° | 175.0° |
| O20 | C19 | C17 | H2 | 98.8° | 122.7° |
| O20 | C19 | C12 | H4 | 34.6° | 23.7° |
| C12 | C19 | O20 | P21 | 121.8° | 123.9° |
| C19 | C12 | N11 | H4 | 123.1° | 122.3° |
| C19 | C12 | N11 | C10 | 85.9° | 93.4° |
| C19 | C12 | N11 | C07 | 94.9° | 86.5° |
| C12 | C19 | C17 | H2 | 143.4° | 118.7° |
| O20 | P21 | O45 | O46 | 119.3° | 120.0° |
| O20 | P21 | O45 | O22 | 120.6° | 120.0° |
| O20 | P21 | O46 | O22 | 119.9° | 120.0° |
| O20 | P21 | O22 | C23 | 173.2° | 175.0° |
| P21 | O20 | C19 | H6 | 1.9° | 1.1° |
| O20 | P21 | O46 | H26 | 119.4° | 60.0° |
| C12 | N11 | C10 | C07 | 179.3° | 180.0° |
| C12 | N11 | C10 | N09 | 179.6° | 179.9° |
| C12 | N11 | C07 | N06 | 0.6° | 0.3° |
| C12 | N11 | C07 | C08 | 179.5° | 179.8° |
| C12 | N11 | C10 | H1 | 0.4° | 0.2° |
| N11 | C12 | C19 | H6 | 29.7° | 24.1° |
| O45 | P21 | O46 | O22 | 120.7° | 120.0° |
| O45 | P21 | O22 | C23 | 52.9° | 55.0° |
| O45 | P21 | O46 | H26 | 0.0° | 180.0° |
| O46 | P21 | O22 | C23 | 67.5° | 65.0° |
| P21 | O22 | C23 | C24 | 131.7° | 180.0° |
| P21 | O22 | C23 | H7 | 11.6° | 60.0° |
| P21 | O22 | C23 | H8 | 108.3° | 60.0° |
| O22 | P21 | O46 | H26 | 120.7° | 60.0° |
| N11 | C10 | N09 | H1 | 180.0° | 179.7° |
| C10 | N11 | C07 | N06 | 179.9° | 179.7° |
| C10 | N11 | C07 | C08 | 0.2° | 0.3° |
| N11 | C10 | N09 | C08 | 0.2° | 0.3° |
| C10 | N11 | C12 | H4 | 151.1° | 144.3° |
| C07 | N11 | C10 | N09 | 0.2° | 0.0° |
| N11 | C07 | N06 | C08 | 179.9° | 179.4° |
| N11 | C07 | N06 | C04 | 179.8° | 179.4° |
| N11 | C07 | C08 | N09 | 0.1° | 0.5° |
| N11 | C07 | C08 | C02 | 179.9° | 179.6° |
| C07 | N11 | C10 | H1 | 179.8° | 179.7° |
| C07 | N11 | C12 | H4 | 28.1° | 35.7° |
| N11 | C07 | N06 | H12 | 0.1° | 0.5° |
| C10 | N09 | C08 | C07 | 0.0° | 0.5° |
| C10 | N09 | C08 | C02 | 180.0° | 179.6° |
| O22 | C23 | C24 | H7 | 120.0° | 120.0° |
| O22 | C23 | C24 | H8 | 120.1° | 120.0° |
| O22 | C23 | C24 | O44 | 28.1° | 66.4° |
| O22 | C23 | C24 | C25 | 146.0° | 175.7° |
| O22 | C23 | C24 | H3 | 96.2° | 54.7° |
| O22 | C23 | H7 | H8 | 119.8° | 120.0° |
| C07 | N06 | C04 | H12 | 180.0° | 180.0° |
| C07 | N06 | C04 | N05 | 180.0° | 180.0° |
| N06 | C07 | C08 | N09 | 180.0° | 180.0° |
| C07 | N06 | C04 | N03 | 0.0° | 0.0° |
| N06 | C07 | C08 | C02 | 0.0° | 0.1° |
| C04 | N06 | C07 | C08 | 0.0° | 0.0° |
| N06 | C04 | N05 | N03 | 180.0° | 180.0° |
| N06 | C04 | N03 | C02 | 0.1° | 0.0° |
| N06 | C04 | N05 | H10 | 180.0° | 180.0° |
| N06 | C04 | N05 | H11 | 0.0° | 0.0° |
| C07 | C08 | N09 | C02 | 180.0° | 179.9° |
| C07 | C08 | C02 | N03 | 0.0° | 0.1° |
| C07 | C08 | C02 | O01 | 180.0° | 180.0° |
| C08 | C07 | N06 | H12 | 180.0° | 179.9° |
| C23 | C24 | O44 | C25 | 119.6° | 119.4° |
| C23 | C24 | O44 | H3 | 122.2° | 121.2° |
| C23 | C24 | C25 | H3 | 119.0° | 121.2° |
| C23 | C24 | O44 | C33 | 139.7° | 145.9° |
| C23 | C24 | C25 | O26 | 93.9° | 119.9° |
| C23 | C24 | C25 | C31 | 146.0° | 121.5° |
| C24 | C23 | H7 | H8 | 119.8° | 120.0° |
| C23 | C24 | C25 | H9 | 25.1° | 2.6° |
| N05 | C04 | N03 | C02 | 180.0° | 180.0° |
| C04 | N05 | H10 | H11 | 180.0° | 180.0° |
| N05 | C04 | N06 | H12 | 0.0° | 0.1° |
| N09 | C08 | C02 | N03 | 179.9° | 179.9° |
| N09 | C08 | C02 | O01 | 0.1° | 0.1° |
| C08 | N09 | C10 | H1 | 179.8° | 180.0° |
| C04 | N03 | C02 | C08 | 0.1° | 0.0° |
| C04 | N03 | C02 | O01 | 179.9° | 180.0° |
| N03 | C04 | N05 | H10 | 0.0° | 0.1° |
| N03 | C04 | N05 | H11 | 180.0° | 180.0° |
| N03 | C04 | N06 | H12 | 179.9° | 180.0° |
| C08 | C02 | N03 | O01 | 180.0° | 180.0° |
| O28 | P27 | O30 | O29 | 119.4° | 120.0° |
| O28 | P27 | O30 | O26 | 121.0° | 120.0° |
| O28 | P27 | O29 | O26 | 120.5° | 120.0° |
| O28 | P27 | O26 | C25 | 33.1° | 54.9° |
| O28 | P27 | O29 | H17 | 0.0° | 60.0° |
| O28 | P27 | O30 | H18 | 0.0° | 180.0° |
| O44 | C24 | C25 | H3 | 121.7° | 119.4° |
| O44 | C24 | C25 | O26 | 146.7° | 120.7° |
| O44 | C24 | C25 | C31 | 26.6° | 2.0° |
| C24 | O44 | C33 | N34 | 130.5° | 158.6° |
| C24 | O44 | C33 | C31 | 10.3° | 40.1° |
| O44 | C24 | C23 | H7 | 91.9° | 173.5° |
| O44 | C24 | C23 | H8 | 148.2° | 53.5° |
| O44 | C24 | C25 | H9 | 94.3° | 116.8° |
| C24 | O44 | C33 | H21 | 106.4° | 78.5° |
| C25 | C24 | O44 | C33 | 20.0° | 26.5° |
| C24 | C25 | O26 | P27 | 57.3° | 120.0° |
| C24 | C25 | O26 | C31 | 118.7° | 114.8° |
| C24 | C25 | O26 | H9 | 117.7° | 122.6° |
| C24 | C25 | C31 | H9 | 117.4° | 118.8° |
| C24 | C25 | C31 | C33 | 18.2° | 20.9° |
| C24 | C25 | C31 | O32 | 101.0° | 139.0° |
| C25 | C24 | C23 | H7 | 25.9° | 55.7° |
| C25 | C24 | C23 | H8 | 94.0° | 64.3° |
| C24 | C25 | C31 | H19 | 136.7° | 97.3° |
| O44 | C33 | N34 | C43 | 26.2° | 18.8° |
| O44 | C33 | C31 | C25 | 7.4° | 37.1° |
| O44 | C33 | N34 | C31 | 117.2° | 114.0° |
| O44 | C33 | N34 | H21 | 121.2° | 123.0° |
| O44 | C33 | N34 | C35 | 153.0° | 161.0° |
| O44 | C33 | C31 | H21 | 116.9° | 118.7° |
| O44 | C33 | C31 | O32 | 112.5° | 155.2° |
| C33 | O44 | C24 | H3 | 98.1° | 92.8° |
| O44 | C33 | C31 | H19 | 128.8° | 81.1° |
| N42 | C43 | N34 | H25 | 180.0° | 179.6° |
| N42 | C43 | N34 | C33 | 179.5° | 179.8° |
| N42 | C43 | N34 | C35 | 0.2° | 0.4° |
| C43 | N42 | C41 | C35 | 0.0° | 0.2° |
| C43 | N42 | C41 | C39 | 180.0° | 179.7° |
| N34 | C43 | N42 | C41 | 0.1° | 0.4° |
| C43 | N34 | C33 | C35 | 179.2° | 179.7° |
| C43 | N34 | C33 | C31 | 90.9° | 95.2° |
| C43 | N34 | C35 | C41 | 0.2° | 0.2° |
| C43 | N34 | C35 | N36 | 180.0° | 179.8° |
| C43 | N34 | C33 | H21 | 147.4° | 141.8° |
| N42 | C41 | C35 | N34 | 0.1° | 0.0° |
| N42 | C41 | C35 | C39 | 180.0° | 180.0° |
| N42 | C41 | C39 | N40 | 0.0° | 0.1° |
| N42 | C41 | C35 | N36 | 180.0° | 180.0° |
| N42 | C41 | C39 | N38 | 180.0° | 180.0° |
| C41 | N42 | C43 | H25 | 179.9° | 180.0° |
| O30 | P27 | O29 | O26 | 120.0° | 120.0° |
| O30 | P27 | O26 | C25 | 87.3° | 65.1° |
| O30 | P27 | O29 | H17 | 119.5° | 60.0° |
| O29 | P27 | O26 | C25 | 152.9° | 175.0° |
| O29 | P27 | O30 | H18 | 119.5° | 60.0° |
| P27 | O26 | C25 | C31 | 175.9° | 125.2° |
| P27 | O26 | C25 | H9 | 60.4° | 2.6° |
| O26 | P27 | O29 | H17 | 120.5° | 180.0° |
| O26 | P27 | O30 | H18 | 121.0° | 60.0° |
| O26 | C25 | C31 | H9 | 121.8° | 122.5° |
| O26 | C25 | C31 | C33 | 139.1° | 97.8° |
| O26 | C25 | C31 | O32 | 19.9° | 20.3° |
| O26 | C25 | C24 | H3 | 25.0° | 1.3° |
| O26 | C25 | C31 | H19 | 102.5° | 144.0° |
| C25 | C31 | C33 | N34 | 111.9° | 155.5° |
| C25 | C31 | C33 | O32 | 119.9° | 118.2° |
| C25 | C31 | C33 | H19 | 121.4° | 118.2° |
| C25 | C31 | O32 | H19 | 124.5° | 123.6° |
| C31 | C25 | C24 | H3 | 95.0° | 117.4° |
| C25 | C31 | O32 | H20 | 180.0° | 180.0° |
| C25 | C31 | C33 | H21 | 124.3° | 81.6° |
| N34 | C33 | C31 | H21 | 123.7° | 122.9° |
| C33 | N34 | C35 | C41 | 179.5° | 180.0° |
| N34 | C33 | C31 | O32 | 128.1° | 86.4° |
| C33 | N34 | C35 | N36 | 0.7° | 0.0° |
| N34 | C33 | C31 | H19 | 9.4° | 37.3° |
| C33 | N34 | C43 | H25 | 0.5° | 0.2° |
| C35 | N34 | C33 | C31 | 89.9° | 85.0° |
| N34 | C35 | C41 | N36 | 179.9° | 180.0° |
| N34 | C35 | C41 | C39 | 179.9° | 180.0° |
| N34 | C35 | N36 | C37 | 179.9° | 179.9° |
| C35 | N34 | C33 | H21 | 31.8° | 37.9° |
| C35 | N34 | C43 | H25 | 179.8° | 180.0° |
| C33 | C31 | O32 | H19 | 118.2° | 123.7° |
| C33 | C31 | C25 | H9 | 99.2° | 139.7° |
| C33 | C31 | O32 | H20 | 62.7° | 67.3° |
| C35 | C41 | C39 | N40 | 180.0° | 180.0° |
| C35 | C41 | C39 | N38 | 0.0° | 0.0° |
| C41 | C35 | N36 | C37 | 0.1° | 0.1° |
| C41 | C39 | N40 | N38 | 180.0° | 180.0° |
| C39 | C41 | C35 | N36 | 0.0° | 0.0° |
| C41 | C39 | N38 | C37 | 0.0° | 0.1° |
| C41 | C39 | N40 | H23 | 180.0° | 180.0° |
| C41 | C39 | N40 | H24 | 60.0° | 0.0° |
| N40 | C39 | N38 | C37 | 180.0° | 180.0° |
| C39 | N40 | H23 | H24 | 120.0° | 180.0° |
| O32 | C31 | C25 | H9 | 141.6° | 102.2° |
| O32 | C31 | C33 | H21 | 4.4° | 36.5° |
| C35 | N36 | C37 | N38 | 0.1° | 0.1° |
| C35 | N36 | C37 | H22 | 179.9° | 180.0° |
| C39 | N38 | C37 | N36 | 0.0° | 0.1° |
| C39 | N38 | C37 | H22 | 179.9° | 180.0° |
| N38 | C39 | N40 | H23 | 0.0° | 0.0° |
| N38 | C39 | N40 | H24 | 120.0° | 180.0° |
| N36 | C37 | N38 | H22 | 180.0° | 179.9° |
| H2 | C17 | C14 | H5 | 106.6° | 146.4° |
| H2 | C17 | C19 | H6 | 24.4° | 0.1° |
| H2 | C17 | O18 | H16 | 62.2° | 57.4° |
| H3 | C24 | C23 | H7 | 143.7° | 65.3° |
| H3 | C24 | C23 | H8 | 23.8° | 174.7° |
| H3 | C24 | C25 | H9 | 144.0° | 123.8° |
| H4 | C12 | C19 | H6 | 154.6° | 146.3° |
| H5 | C14 | C15 | H13 | 23.6° | 67.3° |
| H5 | C14 | C15 | H14 | 96.8° | 172.7° |
| H9 | C25 | C31 | H19 | 19.3° | 21.4° |
| H13 | C15 | O16 | H15 | 60.2° | 60.1° |
| H14 | C15 | O16 | H15 | 60.2° | 60.0° |
| H19 | C31 | O32 | H20 | 55.5° | 56.4° |
| H19 | C31 | C33 | H21 | 114.3° | 160.2° |
