A1BGF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O35 | C34 | sing | 1.43Å | 1.36Å | |
| N33 | N32 | doub | 1.29Å | 1.25Å | Aromatic |
| N33 | N15 | sing | 1.29Å | 1.35Å | Aromatic |
| N32 | C17 | sing | 1.34Å | 1.39Å | Aromatic |
| N15 | C14 | sing | 1.47Å | 1.48Å | |
| N15 | C16 | sing | 1.35Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.53Å | 1.54Å | |
| C13 | C34 | sing | 1.54Å | 1.57Å | |
| C13 | O12 | sing | 1.45Å | 1.28Å | |
| C17 | C16 | doub | 1.35Å | 1.40Å | Aromatic |
| C17 | C18 | sing | 1.51Å | 1.51Å | |
| C34 | C36 | sing | 1.54Å | 1.51Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| O37 | C36 | sing | 1.43Å | 1.38Å | |
| O12 | C11 | sing | 1.44Å | 1.39Å | |
| C36 | C11 | sing | 1.54Å | 1.58Å | |
| C19 | C20 | sing | 1.53Å | 1.57Å | |
| C11 | N07 | sing | 1.47Å | 1.48Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| N07 | C06 | sing | 1.37Å | 1.36Å | Aromatic |
| N07 | C08 | sing | 1.36Å | 1.44Å | Aromatic |
| N05 | C06 | doub | 1.33Å | 1.34Å | Aromatic |
| N05 | C04 | sing | 1.32Å | 1.34Å | Aromatic |
| C21 | C22 | sing | 1.53Å | 1.57Å | |
| C06 | C10 | sing | 1.41Å | 1.45Å | Aromatic |
| C08 | N09 | doub | 1.30Å | 1.34Å | Aromatic |
| C04 | N03 | doub | 1.32Å | 1.36Å | Aromatic |
| C22 | C23 | sing | 1.53Å | 1.55Å | |
| C10 | N09 | sing | 1.35Å | 1.42Å | Aromatic |
| C10 | C02 | doub | 1.41Å | 1.42Å | Aromatic |
| N30 | C31 | sing | 1.47Å | 1.47Å | |
| N30 | C28 | sing | 1.34Å | 1.41Å | |
| N03 | C02 | sing | 1.33Å | 1.35Å | Aromatic |
| C31 | C23 | sing | 1.54Å | 1.53Å | |
| C31 | C26 | sing | 1.53Å | 1.60Å | |
| C23 | S24 | sing | 1.84Å | 1.79Å | |
| C02 | N01 | sing | 1.38Å | 1.40Å | |
| O29 | C28 | doub | 1.22Å | 1.24Å | |
| C28 | N27 | sing | 1.34Å | 1.39Å | |
| C26 | N27 | sing | 1.47Å | 1.47Å | |
| C26 | C25 | sing | 1.54Å | 1.49Å | |
| S24 | C25 | sing | 1.84Å | 1.80Å | |
| C18 | H1 | sing | 1.09Å | 1.10Å | |
| C18 | H2 | sing | 1.09Å | 1.10Å | |
| C16 | H3 | sing | 1.08Å | 1.08Å | |
| C14 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C23 | H12 | sing | 1.09Å | 1.10Å | |
| C25 | H13 | sing | 1.09Å | 1.10Å | |
| C25 | H14 | sing | 1.09Å | 1.10Å | |
| C26 | H15 | sing | 1.09Å | 1.10Å | |
| N30 | H16 | sing | 0.97Å | 1.00Å | |
| C31 | H17 | sing | 1.09Å | 1.10Å | |
| C04 | H18 | sing | 1.08Å | 1.08Å | |
| C08 | H19 | sing | 1.08Å | 1.08Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C34 | H22 | sing | 1.09Å | 1.10Å | |
| C36 | H23 | sing | 1.09Å | 1.10Å | |
| N01 | H24 | sing | 0.97Å | 1.00Å | |
| N01 | H25 | sing | 0.97Å | 1.00Å | |
| N27 | H26 | sing | 0.97Å | 1.00Å | |
| O35 | H27 | sing | 0.97Å | 0.95Å | |
| O37 | H28 | sing | 0.97Å | 0.95Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| C21 | H30 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O35 | C34 | C13 | 107.9° | 110.5° |
| O35 | C34 | C36 | 113.8° | 110.5° |
| O35 | C34 | H22 | 112.9° | 110.5° |
| C34 | O35 | H27 | 109.5° | 114.0° |
| N32 | N33 | N15 | 110.8° | 110.2° |
| N33 | N32 | C17 | 112.2° | 108.9° |
| N33 | N15 | C14 | 123.8° | 125.9° |
| N33 | N15 | C16 | 106.0° | 108.3° |
| N32 | C17 | C16 | 103.1° | 106.5° |
| N32 | C17 | C18 | 125.6° | 126.7° |
| C14 | N15 | C16 | 130.1° | 125.8° |
| N15 | C14 | C13 | 118.0° | 109.5° |
| N15 | C14 | H4 | 107.3° | 109.4° |
| N15 | C14 | H5 | 107.3° | 109.5° |
| N15 | C16 | C17 | 107.9° | 106.1° |
| N15 | C16 | H3 | 126.1° | 127.0° |
| C14 | C13 | C34 | 106.6° | 110.4° |
| C14 | C13 | O12 | 114.0° | 110.4° |
| C13 | C14 | H4 | 107.3° | 109.4° |
| C13 | C14 | H5 | 107.3° | 109.5° |
| C14 | C13 | H6 | 108.3° | 110.4° |
| C34 | C13 | O12 | 107.7° | 104.7° |
| C13 | C34 | C36 | 101.2° | 104.1° |
| C34 | C13 | H6 | 107.9° | 110.4° |
| C13 | C34 | H22 | 109.7° | 110.5° |
| C13 | O12 | C11 | 114.0° | 105.3° |
| O12 | C13 | H6 | 112.2° | 110.4° |
| C16 | C17 | C18 | 131.3° | 126.7° |
| C17 | C16 | H3 | 126.0° | 126.9° |
| C17 | C18 | C19 | 119.5° | 109.5° |
| C17 | C18 | H1 | 106.9° | 109.5° |
| C17 | C18 | H2 | 106.9° | 109.5° |
| C34 | C36 | O37 | 105.2° | 110.5° |
| C34 | C36 | C11 | 105.2° | 104.0° |
| C36 | C34 | H22 | 110.5° | 110.6° |
| C34 | C36 | H23 | 111.4° | 110.5° |
| C18 | C19 | C20 | 115.8° | 109.5° |
| C19 | C18 | H1 | 106.9° | 109.5° |
| C19 | C18 | H2 | 106.9° | 109.5° |
| C18 | C19 | H20 | 107.9° | 109.5° |
| C18 | C19 | H21 | 107.9° | 109.5° |
| O37 | C36 | C11 | 110.4° | 110.5° |
| O37 | C36 | H23 | 113.7° | 110.6° |
| C36 | O37 | H28 | 109.5° | 114.0° |
| O12 | C11 | C36 | 102.3° | 104.8° |
| O12 | C11 | N07 | 105.9° | 110.4° |
| O12 | C11 | H7 | 112.4° | 110.5° |
| C36 | C11 | N07 | 115.5° | 110.4° |
| C36 | C11 | H7 | 109.5° | 110.4° |
| C11 | C36 | H23 | 110.4° | 110.5° |
| C19 | C20 | C21 | 117.0° | 109.5° |
| C19 | C20 | H8 | 107.6° | 109.5° |
| C20 | C19 | H20 | 107.8° | 109.5° |
| C20 | C19 | H21 | 107.9° | 109.5° |
| C19 | C20 | H29 | 107.6° | 109.5° |
| C11 | N07 | C06 | 131.5° | 126.3° |
| C11 | N07 | C08 | 123.5° | 126.2° |
| N07 | C11 | H7 | 110.9° | 110.3° |
| C20 | C21 | C22 | 117.3° | 109.5° |
| C21 | C20 | H8 | 107.6° | 109.4° |
| C20 | C21 | H9 | 107.5° | 109.5° |
| C21 | C20 | H29 | 107.5° | 109.5° |
| C20 | C21 | H30 | 107.5° | 109.4° |
| C06 | N07 | C08 | 105.0° | 107.5° |
| N07 | C06 | N05 | 129.4° | 134.9° |
| N07 | C06 | C10 | 107.5° | 106.0° |
| N07 | C08 | N09 | 114.2° | 110.0° |
| N07 | C08 | H19 | 122.9° | 125.1° |
| C06 | N05 | C04 | 113.0° | 120.6° |
| N05 | C06 | C10 | 123.0° | 119.1° |
| N05 | C04 | N03 | 129.8° | 122.5° |
| N05 | C04 | H18 | 115.1° | 118.8° |
| C21 | C22 | C23 | 114.4° | 109.5° |
| C22 | C21 | H9 | 107.5° | 109.5° |
| C21 | C22 | H10 | 108.2° | 109.5° |
| C21 | C22 | H11 | 108.3° | 109.5° |
| C22 | C21 | H30 | 107.5° | 109.5° |
| C06 | C10 | N09 | 109.3° | 107.1° |
| C06 | C10 | C02 | 118.4° | 118.2° |
| C08 | N09 | C10 | 104.0° | 109.5° |
| N09 | C08 | H19 | 122.9° | 125.0° |
| C04 | N03 | C02 | 117.9° | 121.2° |
| N03 | C04 | H18 | 115.1° | 118.7° |
| C22 | C23 | C31 | 117.8° | 110.8° |
| C22 | C23 | S24 | 106.3° | 110.8° |
| C23 | C22 | H10 | 108.2° | 109.4° |
| C23 | C22 | H11 | 108.2° | 109.5° |
| C22 | C23 | H12 | 109.3° | 110.7° |
| N09 | C10 | C02 | 132.2° | 134.7° |
| C10 | C02 | N03 | 117.7° | 118.5° |
| C10 | C02 | N01 | 124.5° | 120.7° |
| C31 | N30 | C28 | 111.4° | 109.0° |
| N30 | C31 | C23 | 115.4° | 109.2° |
| N30 | C31 | C26 | 104.2° | 104.0° |
| C31 | N30 | H16 | 124.3° | 125.5° |
| N30 | C31 | H17 | 110.5° | 110.3° |
| N30 | C28 | O29 | 123.9° | 123.1° |
| N30 | C28 | N27 | 108.9° | 113.9° |
| C28 | N30 | H16 | 124.3° | 125.4° |
| N03 | C02 | N01 | 117.8° | 120.8° |
| C23 | C31 | C26 | 107.9° | 112.4° |
| C31 | C23 | S24 | 106.9° | 102.7° |
| C31 | C23 | H12 | 109.5° | 110.9° |
| C23 | C31 | H17 | 109.7° | 110.2° |
| C31 | C26 | N27 | 102.8° | 104.0° |
| C31 | C26 | C25 | 105.8° | 112.4° |
| C31 | C26 | H15 | 109.6° | 110.6° |
| C26 | C31 | H17 | 108.9° | 110.5° |
| C23 | S24 | C25 | 87.1° | 94.8° |
| S24 | C23 | H12 | 106.6° | 110.8° |
| C02 | N01 | H24 | 109.5° | 120.0° |
| C02 | N01 | H25 | 109.4° | 120.0° |
| O29 | C28 | N27 | 127.3° | 123.1° |
| C28 | N27 | C26 | 112.8° | 109.1° |
| C28 | N27 | H26 | 123.6° | 125.4° |
| N27 | C26 | C25 | 115.7° | 109.2° |
| N27 | C26 | H15 | 111.3° | 110.2° |
| C26 | N27 | H26 | 123.6° | 125.5° |
| C26 | C25 | S24 | 109.4° | 102.7° |
| C26 | C25 | H13 | 109.5° | 110.8° |
| C26 | C25 | H14 | 109.5° | 110.8° |
| C25 | C26 | H15 | 111.0° | 110.3° |
| S24 | C25 | H13 | 109.5° | 110.7° |
| S24 | C25 | H14 | 109.5° | 110.9° |
| H1 | C18 | H2 | 109.4° | 109.4° |
| H4 | C14 | H5 | 109.5° | 109.5° |
| H8 | C20 | H29 | 109.5° | 109.5° |
| H9 | C21 | H30 | 109.5° | 109.5° |
| H10 | C22 | H11 | 109.4° | 109.5° |
| H13 | C25 | H14 | 109.5° | 110.7° |
| H20 | C19 | H21 | 109.5° | 109.4° |
| H24 | N01 | H25 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O35 | C34 | C13 | C14 | 98.7° | 98.6° |
| O35 | C34 | C13 | C36 | 119.8° | 118.6° |
| O35 | C34 | C13 | H22 | 123.4° | 122.7° |
| O35 | C34 | C13 | O12 | 138.6° | 142.6° |
| O35 | C34 | C36 | H22 | 128.3° | 122.7° |
| O35 | C34 | C36 | O37 | 0.5° | 0.0° |
| O35 | C34 | C36 | C11 | 116.1° | 118.7° |
| O35 | C34 | C13 | H6 | 17.4° | 23.8° |
| O35 | C34 | C36 | H23 | 124.2° | 122.7° |
| N32 | N33 | N15 | C14 | 178.3° | 179.7° |
| N32 | N33 | N15 | C16 | 0.4° | 0.3° |
| N33 | N32 | C17 | C16 | 0.2° | 0.5° |
| N33 | N32 | C17 | C18 | 179.7° | 179.8° |
| N15 | N33 | N32 | C17 | 0.4° | 0.5° |
| N33 | N15 | C14 | C16 | 177.3° | 180.0° |
| N33 | N15 | C14 | C13 | 151.4° | 55.0° |
| N33 | N15 | C16 | C17 | 0.3° | 0.0° |
| N33 | N15 | C16 | H3 | 179.7° | 180.0° |
| N33 | N15 | C14 | H4 | 87.3° | 175.0° |
| N33 | N15 | C14 | H5 | 30.2° | 65.0° |
| N32 | C17 | C16 | N15 | 0.0° | 0.3° |
| N32 | C17 | C16 | C18 | 179.4° | 179.7° |
| N32 | C17 | C18 | C19 | 61.1° | 55.3° |
| N32 | C17 | C18 | H1 | 177.5° | 64.7° |
| N32 | C17 | C18 | H2 | 60.4° | 175.4° |
| N32 | C17 | C16 | H3 | 180.0° | 179.7° |
| N15 | C14 | C13 | H4 | 121.2° | 119.9° |
| N15 | C14 | C13 | H5 | 121.2° | 120.1° |
| N15 | C14 | C13 | C34 | 176.1° | 175.0° |
| N15 | C14 | C13 | O12 | 57.5° | 69.7° |
| C14 | N15 | C16 | C17 | 177.9° | 180.0° |
| C14 | N15 | C16 | H3 | 2.1° | 0.0° |
| N15 | C14 | H4 | H5 | 116.1° | 120.0° |
| N15 | C14 | C13 | H6 | 68.1° | 52.7° |
| C16 | N15 | C14 | C13 | 31.3° | 125.0° |
| N15 | C16 | C17 | H3 | 180.0° | 180.0° |
| N15 | C16 | C17 | C18 | 179.3° | 180.0° |
| C16 | N15 | C14 | H4 | 89.9° | 5.1° |
| C16 | N15 | C14 | H5 | 152.5° | 114.9° |
| C14 | C13 | C34 | O12 | 122.7° | 118.8° |
| C14 | C13 | C34 | H6 | 116.1° | 122.3° |
| C14 | C13 | O12 | H6 | 123.5° | 122.3° |
| C14 | C13 | C34 | C36 | 141.5° | 142.8° |
| C14 | C13 | O12 | C11 | 151.1° | 159.3° |
| C13 | C14 | H4 | H5 | 116.2° | 120.0° |
| C14 | C13 | C34 | H22 | 24.7° | 24.1° |
| C34 | C13 | O12 | H6 | 118.5° | 118.8° |
| C13 | C34 | C36 | H22 | 116.2° | 118.7° |
| C13 | C34 | C36 | O37 | 116.0° | 118.6° |
| C34 | C13 | O12 | C11 | 33.1° | 40.5° |
| C13 | C34 | C36 | C11 | 0.6° | 0.0° |
| C34 | C13 | C14 | H4 | 54.9° | 55.1° |
| C34 | C13 | C14 | H5 | 62.6° | 64.9° |
| C13 | C34 | C36 | H23 | 120.3° | 118.7° |
| C13 | C34 | O35 | H27 | 180.0° | 180.0° |
| O12 | C13 | C34 | C36 | 18.8° | 24.0° |
| C13 | O12 | C11 | C36 | 31.3° | 40.5° |
| C13 | O12 | C11 | N07 | 152.7° | 159.4° |
| O12 | C13 | C14 | H4 | 63.7° | 170.4° |
| O12 | C13 | C14 | H5 | 178.7° | 50.4° |
| C13 | O12 | C11 | H7 | 86.0° | 78.4° |
| O12 | C13 | C34 | H22 | 98.0° | 94.7° |
| C16 | C17 | C18 | C19 | 119.7° | 125.0° |
| C16 | C17 | C18 | H1 | 1.8° | 115.0° |
| C16 | C17 | C18 | H2 | 118.9° | 5.0° |
| C17 | C18 | C19 | H1 | 121.5° | 120.0° |
| C17 | C18 | C19 | H2 | 121.4° | 120.0° |
| C17 | C18 | C19 | C20 | 60.9° | 180.0° |
| C17 | C18 | H1 | H2 | 115.4° | 120.0° |
| C18 | C17 | C16 | H3 | 0.7° | 0.0° |
| C17 | C18 | C19 | H20 | 178.2° | 60.0° |
| C17 | C18 | C19 | H21 | 60.1° | 60.0° |
| C34 | C36 | O37 | C11 | 113.1° | 114.6° |
| C34 | C36 | O37 | H23 | 122.2° | 122.7° |
| C34 | C36 | C11 | O12 | 15.9° | 24.0° |
| C34 | C36 | C11 | H23 | 120.4° | 118.6° |
| C34 | C36 | C11 | N07 | 130.4° | 142.8° |
| C36 | C34 | C13 | H6 | 102.4° | 94.9° |
| C34 | C36 | C11 | H7 | 103.5° | 95.0° |
| C36 | C34 | O35 | H27 | 68.5° | 65.4° |
| C34 | C36 | O37 | H28 | 180.0° | 61.5° |
| C18 | C19 | C20 | H20 | 120.9° | 120.0° |
| C18 | C19 | C20 | H21 | 120.9° | 120.0° |
| C18 | C19 | C20 | C21 | 156.4° | 179.9° |
| C19 | C18 | H1 | H2 | 115.4° | 120.0° |
| C18 | C19 | C20 | H8 | 82.5° | 60.0° |
| C18 | C19 | H20 | H21 | 117.1° | 120.0° |
| C18 | C19 | C20 | H29 | 35.4° | 60.0° |
| O37 | C36 | C11 | O12 | 129.0° | 142.6° |
| O37 | C36 | C11 | H23 | 126.6° | 122.7° |
| O37 | C36 | C11 | N07 | 116.5° | 98.5° |
| O37 | C36 | C11 | H7 | 9.5° | 23.7° |
| O37 | C36 | C34 | H22 | 127.8° | 122.7° |
| O12 | C11 | C36 | N07 | 114.5° | 118.9° |
| O12 | C11 | C36 | H7 | 119.4° | 118.9° |
| O12 | C11 | N07 | H7 | 122.3° | 122.3° |
| O12 | C11 | N07 | C06 | 100.4° | 158.1° |
| O12 | C11 | N07 | C08 | 79.4° | 21.9° |
| C11 | O12 | C13 | H6 | 85.4° | 78.3° |
| O12 | C11 | C36 | H23 | 104.5° | 94.7° |
| C36 | C11 | N07 | H7 | 125.4° | 122.2° |
| C36 | C11 | N07 | C06 | 147.2° | 86.5° |
| C36 | C11 | N07 | C08 | 33.0° | 93.5° |
| C11 | C36 | C34 | H22 | 115.6° | 118.6° |
| C11 | C36 | O37 | H28 | 67.0° | 176.1° |
| C19 | C20 | C21 | H8 | 121.1° | 120.0° |
| C19 | C20 | C21 | H29 | 121.1° | 120.0° |
| C19 | C20 | C21 | C22 | 161.5° | NaN° |
| C20 | C19 | C18 | H1 | 60.6° | 60.0° |
| C20 | C19 | C18 | H2 | 177.7° | 60.0° |
| C19 | C20 | H8 | H29 | 116.6° | 120.0° |
| C19 | C20 | C21 | H9 | 40.4° | 60.0° |
| C20 | C19 | H20 | H21 | 117.1° | 120.0° |
| C19 | C20 | C21 | H30 | 77.3° | 60.0° |
| C11 | N07 | C06 | C08 | 179.8° | 180.0° |
| C11 | N07 | C06 | N05 | 0.5° | 0.1° |
| C11 | N07 | C06 | C10 | 179.6° | 180.0° |
| C11 | N07 | C08 | N09 | 179.9° | 180.0° |
| C11 | N07 | C08 | H19 | 0.1° | 0.0° |
| N07 | C11 | C36 | H23 | 10.0° | 24.2° |
| C20 | C21 | C22 | H9 | 121.1° | 120.0° |
| C20 | C21 | C22 | H30 | 121.1° | 120.0° |
| C20 | C21 | C22 | C23 | 178.6° | 179.9° |
| C21 | C20 | H8 | H29 | 116.6° | 120.0° |
| C20 | C21 | H9 | H30 | 116.4° | 120.0° |
| C20 | C21 | C22 | H10 | 57.8° | 60.0° |
| C20 | C21 | C22 | H11 | 60.7° | 60.0° |
| C21 | C20 | C19 | H20 | 35.5° | 60.0° |
| C21 | C20 | C19 | H21 | 82.6° | 60.0° |
| N07 | C06 | N05 | C10 | 179.0° | 179.9° |
| N07 | C06 | N05 | C04 | 179.1° | 179.8° |
| C06 | N07 | C08 | N09 | 0.1° | 0.0° |
| N07 | C06 | C10 | N09 | 0.5° | 0.1° |
| N07 | C06 | C10 | C02 | 179.3° | 179.8° |
| C06 | N07 | C11 | H7 | 21.8° | 35.7° |
| C06 | N07 | C08 | H19 | 179.9° | 180.0° |
| C08 | N07 | C06 | N05 | 179.3° | 179.9° |
| C08 | N07 | C06 | C10 | 0.2° | 0.0° |
| N07 | C08 | N09 | H19 | 180.0° | 180.0° |
| N07 | C08 | N09 | C10 | 0.4° | 0.1° |
| C08 | N07 | C11 | H7 | 158.4° | 144.3° |
| C06 | N05 | C04 | N03 | 0.4° | 0.6° |
| N05 | C06 | C10 | N09 | 179.6° | 180.0° |
| N05 | C06 | C10 | C02 | 0.1° | 0.1° |
| C06 | N05 | C04 | H18 | 179.6° | 179.9° |
| C04 | N05 | C06 | C10 | 0.1° | 0.3° |
| N05 | C04 | N03 | H18 | 180.0° | 179.5° |
| N05 | C04 | N03 | C02 | 0.8° | 0.5° |
| C21 | C22 | C23 | H10 | 120.8° | 120.0° |
| C21 | C22 | C23 | H11 | 120.7° | 120.0° |
| C21 | C22 | C23 | C31 | 69.7° | 179.7° |
| C21 | C22 | C23 | S24 | 170.6° | 66.4° |
| C22 | C21 | C20 | H8 | 77.4° | 60.0° |
| C22 | C21 | H9 | H30 | 116.4° | 120.0° |
| C21 | C22 | H10 | H11 | 117.8° | 120.0° |
| C21 | C22 | C23 | H12 | 56.0° | 56.8° |
| C22 | C21 | C20 | H29 | 40.4° | 60.0° |
| C06 | C10 | N09 | C08 | 0.5° | 0.1° |
| C06 | C10 | N09 | C02 | 179.7° | 179.8° |
| C06 | C10 | C02 | N03 | 0.3° | 0.2° |
| C06 | C10 | C02 | N01 | 179.9° | 179.7° |
| C08 | N09 | C10 | C02 | 179.2° | 179.8° |
| C04 | N03 | C02 | C10 | 0.7° | 0.0° |
| C04 | N03 | C02 | N01 | 179.7° | 180.0° |
| C22 | C23 | C31 | N30 | 35.3° | 28.0° |
| C22 | C23 | C31 | S24 | 119.4° | 118.3° |
| C22 | C23 | C31 | H12 | 125.6° | 123.3° |
| C22 | C23 | C31 | C26 | 151.3° | 142.9° |
| C22 | C23 | S24 | H12 | 116.4° | 123.2° |
| C22 | C23 | S24 | C25 | 169.1° | 153.0° |
| C23 | C22 | C21 | H9 | 60.3° | 60.0° |
| C23 | C22 | H10 | H11 | 117.7° | 120.0° |
| C22 | C23 | C31 | H17 | 90.2° | 93.3° |
| C23 | C22 | C21 | H30 | 57.4° | 60.0° |
| N09 | C10 | C02 | N03 | 180.0° | 179.9° |
| N09 | C10 | C02 | N01 | 0.5° | 0.1° |
| C10 | N09 | C08 | H19 | 179.6° | 180.0° |
| C10 | C02 | N03 | N01 | 179.6° | 180.0° |
| C10 | C02 | N01 | H24 | 179.6° | 0.1° |
| C10 | C02 | N01 | H25 | 60.4° | 180.0° |
| C31 | N30 | C28 | H16 | 180.0° | 179.9° |
| N30 | C31 | C23 | C26 | 116.0° | 114.9° |
| N30 | C31 | C23 | H17 | 125.6° | 121.3° |
| N30 | C31 | C26 | H17 | 117.9° | 118.3° |
| N30 | C31 | C23 | S24 | 84.1° | 90.3° |
| C31 | N30 | C28 | O29 | 179.8° | 179.9° |
| C31 | N30 | C28 | N27 | 0.2° | 0.0° |
| N30 | C31 | C26 | N27 | 0.0° | 0.0° |
| N30 | C31 | C26 | C25 | 121.9° | 118.0° |
| N30 | C31 | C23 | H12 | 160.9° | 151.3° |
| N30 | C31 | C26 | H15 | 118.4° | 118.3° |
| C28 | N30 | C31 | C23 | 118.1° | 120.2° |
| C28 | N30 | C31 | C26 | 0.1° | 0.0° |
| N30 | C28 | O29 | N27 | 180.0° | 179.9° |
| N30 | C28 | N27 | C26 | 0.2° | 0.0° |
| C28 | N30 | C31 | H17 | 116.7° | 118.5° |
| N30 | C28 | N27 | H26 | 179.8° | 179.9° |
| C02 | N03 | C04 | H18 | 179.2° | 180.0° |
| N03 | C02 | N01 | H24 | 0.0° | 180.0° |
| N03 | C02 | N01 | H25 | 120.0° | 0.1° |
| C23 | C31 | C26 | H17 | 119.0° | 123.6° |
| C31 | C23 | S24 | H12 | 117.0° | 118.5° |
| C23 | C31 | C26 | N27 | 123.0° | 118.0° |
| C23 | C31 | C26 | C25 | 1.2° | 0.0° |
| C31 | C23 | S24 | C25 | 42.5° | 34.7° |
| C31 | C23 | C22 | H10 | 51.1° | 60.3° |
| C31 | C23 | C22 | H11 | 169.6° | 59.7° |
| C23 | C31 | C26 | H15 | 118.5° | 123.7° |
| C23 | C31 | N30 | H16 | 61.9° | 59.8° |
| C26 | C31 | C23 | S24 | 31.9° | 24.6° |
| C31 | C26 | N27 | C28 | 0.2° | 0.0° |
| C31 | C26 | N27 | C25 | 114.8° | 120.2° |
| C31 | C26 | N27 | H15 | 117.3° | 118.5° |
| C31 | C26 | C25 | H15 | 118.8° | 123.8° |
| C31 | C26 | C25 | S24 | 30.1° | 24.6° |
| C26 | C31 | C23 | H12 | 83.2° | 93.7° |
| C31 | C26 | C25 | H13 | 89.8° | 93.7° |
| C31 | C26 | C25 | H14 | 150.1° | 143.1° |
| C26 | C31 | N30 | H16 | 179.9° | 180.0° |
| C31 | C26 | N27 | H26 | 179.8° | 180.0° |
| C23 | S24 | C25 | C26 | 43.3° | 34.7° |
| S24 | C23 | C22 | H10 | 68.6° | 173.6° |
| S24 | C23 | C22 | H11 | 49.9° | 53.6° |
| C23 | S24 | C25 | H13 | 76.7° | 83.7° |
| C23 | S24 | C25 | H14 | 163.2° | 153.0° |
| S24 | C23 | C31 | H17 | 150.4° | 148.4° |
| C02 | N01 | H24 | H25 | 120.0° | 179.9° |
| O29 | C28 | N27 | C26 | 179.8° | 179.9° |
| O29 | C28 | N30 | H16 | 0.2° | 0.1° |
| O29 | C28 | N27 | H26 | 0.3° | 0.0° |
| C28 | N27 | C26 | H26 | 180.0° | 180.0° |
| C28 | N27 | C26 | C25 | 115.0° | 120.2° |
| C28 | N27 | C26 | H15 | 117.1° | 118.5° |
| N27 | C28 | N30 | H16 | 179.8° | 180.0° |
| N27 | C26 | C25 | H15 | 128.0° | 121.3° |
| N27 | C26 | C25 | S24 | 83.0° | 90.3° |
| N27 | C26 | C25 | H13 | 157.0° | 151.4° |
| N27 | C26 | C25 | H14 | 37.0° | 28.2° |
| N27 | C26 | C31 | H17 | 118.0° | 118.3° |
| C26 | C25 | S24 | H13 | 120.0° | 118.3° |
| C26 | C25 | S24 | H14 | 120.0° | 118.4° |
| C26 | C25 | H13 | H14 | 120.0° | 123.3° |
| C25 | C26 | C31 | H17 | 120.2° | 123.6° |
| C25 | C26 | N27 | H26 | 65.0° | 59.8° |
| C25 | S24 | C23 | H12 | 74.5° | 83.8° |
| S24 | C25 | H13 | H14 | 120.0° | 123.4° |
| S24 | C25 | C26 | H15 | 149.0° | 148.5° |
| H1 | C18 | C19 | H20 | 60.3° | 180.0° |
| H1 | C18 | C19 | H21 | 178.4° | 60.0° |
| H2 | C18 | C19 | H20 | 56.8° | 60.0° |
| H2 | C18 | C19 | H21 | 61.3° | 180.0° |
| H4 | C14 | C13 | H6 | 170.7° | 67.2° |
| H5 | C14 | C13 | H6 | 53.2° | 172.7° |
| H6 | C13 | C34 | H22 | 140.8° | 146.4° |
| H7 | C11 | C36 | H23 | 136.1° | 146.4° |
| H8 | C20 | C21 | H9 | 161.5° | 60.0° |
| H8 | C20 | C19 | H20 | 156.6° | 60.0° |
| H8 | C20 | C19 | H21 | 38.5° | 180.0° |
| H8 | C20 | C21 | H30 | 43.8° | 180.0° |
| H9 | C21 | C22 | H10 | 178.9° | 179.9° |
| H9 | C21 | C22 | H11 | 60.4° | 60.0° |
| H9 | C21 | C20 | H29 | 80.7° | NaN° |
| H10 | C22 | C23 | H12 | 176.8° | 63.2° |
| H10 | C22 | C21 | H30 | 63.3° | 60.0° |
| H11 | C22 | C23 | H12 | 64.7° | 176.8° |
| H11 | C22 | C21 | H30 | 178.1° | 180.0° |
| H12 | C23 | C31 | H17 | 35.3° | 30.0° |
| H13 | C25 | C26 | H15 | 29.0° | 30.2° |
| H14 | C25 | C26 | H15 | 91.0° | 93.1° |
| H15 | C26 | C31 | H17 | 0.5° | 0.0° |
| H15 | C26 | N27 | H26 | 62.9° | 61.5° |
| H16 | N30 | C31 | H17 | 63.3° | 61.5° |
| H20 | C19 | C20 | H29 | 85.6° | 180.0° |
| H21 | C19 | C20 | H29 | 156.3° | 60.0° |
| H22 | C34 | C36 | H23 | 4.1° | 0.0° |
| H22 | C34 | O35 | H27 | 58.5° | 57.3° |
| H23 | C36 | O37 | H28 | 57.8° | 61.2° |
| H29 | C20 | C21 | H30 | 161.6° | 60.0° |
