WCD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O11 | C19 | doub | 1.21Å | 1.23Å | |
| C13 | O12 | sing | 1.43Å | 1.43Å | |
| C13 | C16 | sing | 1.53Å | 1.53Å | |
| C19 | C18 | sing | 1.51Å | 1.54Å | |
| C19 | N20 | sing | 1.35Å | 1.34Å | |
| C18 | C16 | sing | 1.53Å | 1.54Å | |
| C18 | O17 | sing | 1.43Å | 1.43Å | |
| O10 | C23 | doub | 1.21Å | 1.23Å | |
| C21 | N20 | sing | 1.46Å | 1.47Å | |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| O08 | C02 | doub | 1.21Å | 1.23Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C16 | C14 | sing | 1.53Å | 1.53Å | |
| C02 | N03 | sing | 1.35Å | 1.33Å | |
| C02 | C01 | sing | 1.51Å | 1.41Å | |
| C05 | N03 | sing | 1.48Å | 1.46Å | |
| C05 | C06 | sing | 1.56Å | 1.56Å | |
| C05 | C09 | sing | 1.51Å | 1.55Å | |
| C23 | C22 | sing | 1.51Å | 1.53Å | |
| C23 | N27 | sing | 1.35Å | 1.34Å | |
| N03 | C04 | sing | 1.47Å | 1.46Å | |
| O29 | C09 | doub | 1.21Å | 1.25Å | |
| C07 | C06 | sing | 1.55Å | 1.55Å | |
| C07 | C04 | sing | 1.54Å | 1.51Å | |
| C06 | S25 | sing | 1.81Å | 1.78Å | |
| C01 | C04 | sing | 1.53Å | 1.52Å | |
| C09 | O28 | sing | 1.34Å | 1.25Å | |
| N27 | C26 | sing | 1.47Å | 1.47Å | |
| C26 | C24 | sing | 1.53Å | 1.53Å | |
| S25 | C24 | sing | 1.81Å | 1.83Å | |
| C13 | 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 | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C18 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C01 | H14 | sing | 1.09Å | 1.10Å | |
| C01 | H15 | sing | 1.09Å | 1.10Å | |
| C04 | H16 | sing | 1.09Å | 1.10Å | |
| C05 | H17 | sing | 1.09Å | 1.10Å | |
| C06 | H18 | sing | 1.09Å | 1.10Å | |
| C07 | H19 | sing | 1.09Å | 1.10Å | |
| C07 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| N20 | H25 | sing | 0.97Å | 1.00Å | |
| N27 | H26 | sing | 0.97Å | 1.00Å | |
| O12 | H27 | sing | 0.97Å | 0.95Å | |
| O17 | H28 | sing | 0.97Å | 0.95Å | |
| O28 | H29 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O11 | C19 | C18 | 121.9° | 120.1° |
| O11 | C19 | N20 | 123.3° | 120.0° |
| O12 | C13 | C16 | 110.3° | 109.5° |
| O12 | C13 | H1 | 109.3° | 109.5° |
| O12 | C13 | H2 | 109.3° | 109.5° |
| C13 | O12 | H27 | 109.5° | 114.0° |
| C13 | C16 | C18 | 109.9° | 109.5° |
| C13 | C16 | C15 | 108.9° | 109.5° |
| C13 | C16 | C14 | 109.4° | 109.5° |
| C16 | C13 | H1 | 109.3° | 109.5° |
| C16 | C13 | H2 | 109.3° | 109.5° |
| C18 | C19 | N20 | 114.8° | 120.0° |
| C19 | C18 | C16 | 111.3° | 109.5° |
| C19 | C18 | O17 | 108.3° | 109.4° |
| C19 | C18 | H9 | 109.0° | 109.5° |
| C19 | N20 | C21 | 121.9° | 120.0° |
| C19 | N20 | H25 | 119.0° | 120.0° |
| C16 | C18 | O17 | 108.7° | 109.5° |
| C18 | C16 | C15 | 109.7° | 109.5° |
| C18 | C16 | C14 | 109.7° | 109.5° |
| C16 | C18 | H9 | 109.0° | 109.5° |
| O17 | C18 | H9 | 110.5° | 109.4° |
| C18 | O17 | H28 | 109.5° | 113.9° |
| O10 | C23 | C22 | 121.1° | 120.0° |
| O10 | C23 | N27 | 123.9° | 120.0° |
| N20 | C21 | C22 | 107.0° | 109.4° |
| N20 | C21 | H10 | 110.1° | 109.5° |
| N20 | C21 | H11 | 110.1° | 109.5° |
| C21 | N20 | H25 | 119.0° | 120.1° |
| C21 | C22 | C23 | 111.5° | 109.4° |
| C22 | C21 | H10 | 110.1° | 109.5° |
| C22 | C21 | H11 | 110.1° | 109.5° |
| C21 | C22 | H12 | 109.0° | 109.5° |
| C21 | C22 | H13 | 109.0° | 109.5° |
| O08 | C02 | N03 | 131.6° | 131.8° |
| O08 | C02 | C01 | 134.8° | 131.8° |
| C15 | C16 | C14 | 109.2° | 109.5° |
| C16 | C15 | H6 | 109.5° | 109.5° |
| C16 | C15 | H7 | 109.5° | 109.5° |
| C16 | C15 | H8 | 109.5° | 109.5° |
| C16 | C14 | H3 | 109.5° | 109.5° |
| C16 | C14 | H4 | 109.4° | 109.5° |
| C16 | C14 | H5 | 109.4° | 109.5° |
| N03 | C02 | C01 | 93.5° | 96.5° |
| C02 | N03 | C05 | 160.6° | 118.8° |
| C02 | N03 | C04 | 93.8° | 90.4° |
| C02 | C01 | C04 | 88.4° | 82.5° |
| C02 | C01 | H14 | 114.4° | 114.4° |
| C02 | C01 | H15 | 114.5° | 114.4° |
| N03 | C05 | C06 | 101.1° | 104.5° |
| N03 | C05 | C09 | 115.3° | 110.4° |
| C05 | N03 | C04 | 105.4° | 108.5° |
| N03 | C05 | H17 | 109.2° | 110.4° |
| C06 | C05 | C09 | 114.8° | 110.3° |
| C05 | C06 | C07 | 100.2° | 101.5° |
| C05 | C06 | S25 | 110.7° | 111.0° |
| C06 | C05 | H17 | 108.0° | 110.6° |
| C05 | C06 | H18 | 111.9° | 111.0° |
| C05 | C09 | O29 | 116.1° | 120.0° |
| C05 | C09 | O28 | 118.3° | 120.0° |
| C09 | C05 | H17 | 108.1° | 110.5° |
| C22 | C23 | N27 | 114.9° | 119.9° |
| C23 | C22 | H12 | 109.0° | 109.5° |
| C23 | C22 | H13 | 109.0° | 109.5° |
| C23 | N27 | C26 | 121.7° | 120.0° |
| C23 | N27 | H26 | 119.2° | 120.0° |
| N03 | C04 | C07 | 93.2° | 107.7° |
| N03 | C04 | C01 | 84.2° | 90.6° |
| N03 | C04 | H16 | 118.7° | 114.5° |
| O29 | C09 | O28 | 125.6° | 120.0° |
| C06 | C07 | C04 | 94.7° | 103.1° |
| C07 | C06 | S25 | 112.8° | 111.1° |
| C07 | C06 | H18 | 112.1° | 110.9° |
| C06 | C07 | H19 | 113.0° | 110.7° |
| C06 | C07 | H20 | 113.0° | 110.6° |
| C07 | C04 | C01 | 117.7° | 114.0° |
| C07 | C04 | H16 | 117.7° | 113.6° |
| C04 | C07 | H19 | 113.1° | 110.7° |
| C04 | C07 | H20 | 113.0° | 110.6° |
| C06 | S25 | C24 | 102.0° | 103.0° |
| S25 | C06 | H18 | 109.0° | 110.9° |
| C04 | C01 | H14 | 114.5° | 114.4° |
| C04 | C01 | H15 | 114.4° | 114.3° |
| C01 | C04 | H16 | 117.5° | 114.3° |
| C09 | O28 | H29 | 109.5° | 117.0° |
| N27 | C26 | C24 | 110.6° | 109.5° |
| N27 | C26 | H23 | 109.2° | 109.4° |
| N27 | C26 | H24 | 109.2° | 109.4° |
| C26 | N27 | H26 | 119.1° | 120.0° |
| C26 | C24 | S25 | 113.2° | 109.4° |
| C26 | C24 | H21 | 108.5° | 109.5° |
| C26 | C24 | H22 | 108.5° | 109.4° |
| C24 | C26 | H23 | 109.2° | 109.5° |
| C24 | C26 | H24 | 109.2° | 109.5° |
| S25 | C24 | H21 | 108.5° | 109.5° |
| S25 | C24 | H22 | 108.5° | 109.5° |
| H1 | C13 | H2 | 109.5° | 109.4° |
| H3 | C14 | H4 | 109.5° | 109.5° |
| H3 | C14 | H5 | 109.4° | 109.5° |
| H4 | C14 | H5 | 109.5° | 109.5° |
| H6 | C15 | H7 | 109.5° | 109.5° |
| H6 | C15 | H8 | 109.5° | 109.4° |
| H7 | C15 | H8 | 109.5° | 109.5° |
| H10 | C21 | H11 | 109.5° | 109.5° |
| H12 | C22 | H13 | 109.5° | 109.5° |
| H14 | C01 | H15 | 109.5° | 113.4° |
| H19 | C07 | H20 | 109.4° | 110.8° |
| H21 | C24 | H22 | 109.5° | 109.5° |
| H23 | C26 | H24 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O11 | C19 | C18 | N20 | 179.5° | 179.9° |
| O11 | C19 | C18 | C16 | 59.1° | 111.8° |
| O11 | C19 | C18 | O17 | 178.6° | 8.2° |
| O11 | C19 | N20 | C21 | 2.1° | 4.4° |
| O11 | C19 | C18 | H9 | 61.1° | 128.2° |
| O11 | C19 | N20 | H25 | 177.9° | 175.6° |
| O12 | C13 | C16 | H1 | 120.1° | 120.0° |
| O12 | C13 | C16 | H2 | 120.1° | 120.0° |
| O12 | C13 | C16 | C18 | 177.5° | 180.0° |
| O12 | C13 | C16 | C15 | 57.3° | 60.0° |
| O12 | C13 | C16 | C14 | 62.0° | 60.0° |
| O12 | C13 | H1 | H2 | 119.6° | 120.0° |
| C13 | C16 | C18 | C19 | 73.7° | 54.3° |
| C13 | C16 | C18 | C15 | 119.7° | 120.0° |
| C13 | C16 | C18 | C14 | 120.3° | 120.0° |
| C13 | C16 | C18 | O17 | 167.0° | 65.7° |
| C13 | C16 | C15 | C14 | 119.4° | 120.0° |
| C16 | C13 | H1 | H2 | 119.6° | 120.0° |
| C13 | C16 | C14 | H3 | 180.0° | 66.4° |
| C13 | C16 | C14 | H4 | 60.0° | 173.6° |
| C13 | C16 | C14 | H5 | 60.0° | 53.6° |
| C13 | C16 | C15 | H6 | 180.0° | 63.4° |
| C13 | C16 | C15 | H7 | 60.0° | 176.6° |
| C13 | C16 | C15 | H8 | 60.0° | 56.6° |
| C13 | C16 | C18 | H9 | 46.5° | 174.3° |
| C16 | C13 | O12 | H27 | 180.0° | 180.0° |
| C19 | C18 | C16 | O17 | 119.2° | 120.0° |
| C19 | C18 | C16 | H9 | 120.2° | 120.0° |
| C19 | C18 | O17 | H9 | 119.4° | 120.0° |
| C18 | C19 | N20 | C21 | 178.4° | 175.6° |
| C19 | C18 | C16 | C15 | 166.5° | 174.3° |
| C19 | C18 | C16 | C14 | 46.6° | 65.7° |
| C18 | C19 | N20 | H25 | 1.6° | 4.5° |
| C19 | C18 | O17 | H28 | 180.0° | 60.0° |
| N20 | C19 | C18 | C16 | 121.4° | 68.1° |
| N20 | C19 | C18 | O17 | 1.9° | 171.8° |
| C19 | N20 | C21 | H25 | 180.0° | 180.0° |
| C19 | N20 | C21 | C22 | 100.9° | 180.0° |
| N20 | C19 | C18 | H9 | 118.4° | 51.9° |
| C19 | N20 | C21 | H10 | 18.7° | 60.0° |
| C19 | N20 | C21 | H11 | 139.5° | 60.0° |
| C16 | C18 | O17 | H9 | 119.6° | 120.0° |
| C18 | C16 | C15 | C14 | 120.3° | 120.0° |
| C18 | C16 | C13 | H1 | 62.4° | 60.0° |
| C18 | C16 | C13 | H2 | 57.4° | 60.0° |
| C18 | C16 | C14 | H3 | 59.3° | 173.6° |
| C18 | C16 | C14 | H4 | 179.4° | 53.6° |
| C18 | C16 | C14 | H5 | 60.6° | 66.4° |
| C18 | C16 | C15 | H6 | 59.7° | 56.6° |
| C18 | C16 | C15 | H7 | 60.3° | 63.4° |
| C18 | C16 | C15 | H8 | 179.7° | 176.5° |
| C16 | C18 | O17 | H28 | 58.9° | 60.0° |
| O17 | C18 | C16 | C15 | 47.3° | 54.2° |
| O17 | C18 | C16 | C14 | 72.7° | 174.2° |
| O10 | C23 | C22 | C21 | 18.7° | 0.0° |
| O10 | C23 | C22 | N27 | 179.4° | 180.0° |
| O10 | C23 | N27 | C26 | 1.0° | 0.0° |
| O10 | C23 | C22 | H12 | 139.0° | 120.0° |
| O10 | C23 | C22 | H13 | 101.6° | 120.0° |
| O10 | C23 | N27 | H26 | 179.0° | 180.0° |
| N20 | C21 | C22 | H10 | 119.6° | 120.0° |
| N20 | C21 | C22 | H11 | 119.6° | 120.0° |
| N20 | C21 | C22 | C23 | 173.5° | 180.0° |
| N20 | C21 | H10 | H11 | 121.2° | 120.0° |
| N20 | C21 | C22 | H12 | 66.2° | 60.0° |
| N20 | C21 | C22 | H13 | 53.2° | 60.0° |
| C21 | C22 | C23 | H12 | 120.3° | 120.0° |
| C21 | C22 | C23 | H13 | 120.3° | 120.0° |
| C21 | C22 | C23 | N27 | 161.9° | 180.0° |
| C22 | C21 | H10 | H11 | 121.1° | 120.0° |
| C21 | C22 | H12 | H13 | 119.1° | 120.0° |
| C22 | C21 | N20 | H25 | 79.1° | 0.0° |
| O08 | C02 | N03 | C01 | 176.3° | 179.9° |
| O08 | C02 | N03 | C05 | 7.2° | 70.3° |
| O08 | C02 | N03 | C04 | 178.9° | 178.2° |
| O08 | C02 | C01 | C04 | 178.5° | 178.3° |
| O08 | C02 | C01 | H14 | 62.3° | 68.3° |
| O08 | C02 | C01 | H15 | 65.2° | 64.9° |
| C15 | C16 | C13 | H1 | 177.4° | 180.0° |
| C15 | C16 | C13 | H2 | 62.8° | 60.0° |
| C15 | C16 | C14 | H3 | 60.9° | 53.6° |
| C15 | C16 | C14 | H4 | 59.1° | 66.4° |
| C15 | C16 | C14 | H5 | 179.1° | 173.6° |
| C16 | C15 | H6 | H7 | 120.0° | 120.0° |
| C16 | C15 | H6 | H8 | 120.0° | 120.0° |
| C16 | C15 | H7 | H8 | 120.0° | 120.0° |
| C15 | C16 | C18 | H9 | 73.2° | 65.7° |
| C14 | C16 | C13 | H1 | 58.1° | 60.0° |
| C14 | C16 | C13 | H2 | 177.9° | 180.0° |
| C16 | C14 | H3 | H4 | 120.0° | 120.0° |
| C16 | C14 | H3 | H5 | 120.0° | 120.0° |
| C16 | C14 | H4 | H5 | 120.0° | 120.0° |
| C14 | C16 | C15 | H6 | 60.6° | 176.6° |
| C14 | C16 | C15 | H7 | 179.4° | 56.6° |
| C14 | C16 | C15 | H8 | 59.4° | 63.4° |
| C14 | C16 | C18 | H9 | 166.8° | 54.3° |
| C02 | N03 | C05 | C04 | 171.4° | 101.1° |
| C02 | N03 | C05 | C06 | 146.0° | 75.2° |
| C02 | N03 | C05 | C09 | 89.5° | 166.2° |
| C02 | N03 | C04 | C07 | 120.0° | 117.3° |
| N03 | C02 | C01 | C04 | 2.5° | 1.8° |
| N03 | C02 | C01 | H14 | 113.8° | 111.6° |
| N03 | C02 | C01 | H15 | 118.7° | 115.2° |
| C02 | N03 | C04 | H16 | 115.9° | 115.3° |
| C02 | N03 | C05 | H17 | 32.4° | 43.7° |
| C01 | C02 | N03 | C05 | 169.0° | 109.6° |
| C02 | C01 | C04 | C07 | 92.9° | 111.3° |
| C02 | C01 | C04 | H14 | 116.2° | 113.5° |
| C02 | C01 | C04 | H15 | 116.2° | 113.4° |
| C02 | C01 | H14 | H15 | 130.0° | 133.6° |
| C02 | C01 | C04 | H16 | 117.2° | 115.7° |
| N03 | C05 | C06 | C09 | 124.7° | 118.7° |
| N03 | C05 | C06 | H17 | 114.6° | 118.8° |
| N03 | C05 | C09 | H17 | 122.5° | 122.4° |
| N03 | C05 | C09 | O29 | 141.0° | 18.6° |
| N03 | C05 | C06 | C07 | 15.8° | 37.6° |
| C05 | N03 | C04 | C07 | 57.1° | 3.4° |
| N03 | C05 | C06 | S25 | 103.4° | 155.8° |
| C05 | N03 | C04 | C01 | 174.7° | 118.9° |
| N03 | C05 | C09 | O28 | 36.6° | 161.5° |
| C05 | N03 | C04 | H16 | 67.0° | 124.0° |
| N03 | C05 | C06 | H18 | 134.7° | 80.4° |
| C06 | C05 | C09 | H17 | 120.6° | 122.6° |
| C06 | C05 | N03 | C04 | 25.3° | 25.9° |
| C06 | C05 | C09 | O29 | 102.1° | 96.4° |
| C05 | C06 | C07 | S25 | 117.7° | 118.1° |
| C05 | C06 | C07 | H18 | 118.8° | 118.0° |
| C05 | C06 | C07 | C04 | 49.3° | 34.7° |
| C05 | C06 | S25 | H18 | 123.5° | 123.9° |
| C06 | C05 | C09 | O28 | 80.4° | 83.6° |
| C05 | C06 | S25 | C24 | 170.3° | 175.0° |
| C05 | C06 | C07 | H19 | 166.8° | 153.2° |
| C05 | C06 | C07 | H20 | 68.2° | 83.6° |
| C09 | C05 | N03 | C04 | 99.1° | 92.7° |
| C05 | C09 | O29 | O28 | 177.3° | 180.0° |
| C09 | C05 | C06 | C07 | 140.6° | 81.1° |
| C09 | C05 | C06 | S25 | 21.3° | 37.1° |
| C09 | C05 | C06 | H18 | 100.5° | 161.0° |
| C05 | C09 | O28 | H29 | 177.3° | 179.9° |
| C22 | C23 | N27 | C26 | 178.4° | 180.0° |
| C23 | C22 | C21 | H10 | 53.8° | 60.0° |
| C23 | C22 | C21 | H11 | 66.9° | 60.0° |
| C23 | C22 | H12 | H13 | 119.1° | 120.0° |
| C22 | C23 | N27 | H26 | 1.6° | 0.0° |
| C23 | N27 | C26 | H26 | 180.0° | 180.0° |
| C23 | N27 | C26 | C24 | 134.4° | 180.0° |
| N27 | C23 | C22 | H12 | 41.6° | 60.0° |
| N27 | C23 | C22 | H13 | 77.8° | 60.0° |
| C23 | N27 | C26 | H23 | 105.4° | 60.0° |
| C23 | N27 | C26 | H24 | 14.2° | 60.0° |
| N03 | C04 | C07 | C06 | 63.6° | 20.4° |
| N03 | C04 | C07 | C01 | 85.2° | 98.8° |
| N03 | C04 | C07 | H16 | 124.9° | 127.9° |
| N03 | C04 | C01 | H16 | 119.5° | 117.3° |
| N03 | C04 | C01 | H14 | 113.9° | 111.8° |
| N03 | C04 | C01 | H15 | 118.5° | 115.1° |
| C04 | N03 | C05 | H17 | 139.0° | 144.8° |
| N03 | C04 | C07 | H19 | 178.9° | 138.9° |
| N03 | C04 | C07 | H20 | 53.9° | 97.9° |
| O29 | C09 | C05 | H17 | 18.5° | 141.0° |
| O29 | C09 | O28 | H29 | 0.0° | 0.0° |
| C06 | C07 | C04 | H19 | 117.5° | 118.5° |
| C06 | C07 | C04 | H20 | 117.5° | 118.3° |
| C07 | C06 | S25 | H18 | 125.1° | 123.9° |
| C06 | C07 | C04 | C01 | 148.8° | 78.4° |
| C07 | C06 | S25 | C24 | 58.9° | 72.8° |
| C06 | C07 | C04 | H16 | 61.3° | 148.3° |
| C07 | C06 | C05 | H17 | 98.8° | 156.4° |
| C06 | C07 | H19 | H20 | 126.9° | 123.2° |
| C04 | C07 | C06 | S25 | 68.5° | 152.9° |
| C07 | C04 | C01 | H16 | 149.9° | 133.0° |
| C07 | C04 | C01 | H14 | 23.3° | 2.1° |
| C07 | C04 | C01 | H15 | 150.8° | 135.2° |
| C04 | C07 | C06 | H18 | 168.1° | 83.3° |
| C04 | C07 | H19 | H20 | 127.0° | 123.1° |
| C06 | S25 | C24 | C26 | 45.7° | 180.0° |
| S25 | C06 | C05 | H17 | 142.0° | 85.4° |
| S25 | C06 | C07 | H19 | 49.0° | 88.7° |
| S25 | C06 | C07 | H20 | 174.0° | 34.6° |
| C06 | S25 | C24 | H21 | 166.2° | 60.0° |
| C06 | S25 | C24 | H22 | 74.8° | 60.1° |
| C04 | C01 | H14 | H15 | 130.0° | 133.6° |
| C01 | C04 | C07 | H19 | 93.7° | 40.1° |
| C01 | C04 | C07 | H20 | 31.3° | 163.3° |
| O28 | C09 | C05 | H17 | 159.0° | 39.0° |
| N27 | C26 | C24 | H23 | 120.2° | 120.0° |
| N27 | C26 | C24 | H24 | 120.2° | 120.0° |
| N27 | C26 | C24 | S25 | 78.7° | 180.0° |
| N27 | C26 | C24 | H21 | 41.8° | 60.0° |
| N27 | C26 | C24 | H22 | 160.7° | 60.0° |
| N27 | C26 | H23 | H24 | 119.5° | 120.0° |
| C26 | C24 | S25 | H21 | 120.5° | 120.0° |
| C26 | C24 | S25 | H22 | 120.5° | 119.9° |
| C26 | C24 | H21 | H22 | 118.3° | 119.9° |
| C24 | C26 | H23 | H24 | 119.5° | 120.0° |
| C24 | C26 | N27 | H26 | 45.6° | 0.0° |
| C24 | S25 | C06 | H18 | 66.2° | 51.1° |
| S25 | C24 | H21 | H22 | 118.3° | 120.1° |
| S25 | C24 | C26 | H23 | 161.1° | 60.0° |
| S25 | C24 | C26 | H24 | 41.4° | 60.0° |
| H1 | C13 | O12 | H27 | 59.8° | 60.0° |
| H2 | C13 | O12 | H27 | 59.9° | 60.0° |
| H3 | C14 | H4 | H5 | 120.0° | 120.0° |
| H6 | C15 | H7 | H8 | 120.0° | 119.9° |
| H9 | C18 | O17 | H28 | 60.6° | 180.0° |
| H10 | C21 | C22 | H12 | 174.1° | 59.9° |
| H10 | C21 | C22 | H13 | 66.5° | 180.0° |
| H10 | C21 | N20 | H25 | 161.3° | 120.0° |
| H11 | C21 | C22 | H12 | 53.4° | 180.0° |
| H11 | C21 | C22 | H13 | 172.8° | 60.0° |
| H11 | C21 | N20 | H25 | 40.5° | 120.0° |
| H14 | C01 | C04 | H16 | 126.6° | 130.8° |
| H15 | C01 | C04 | H16 | 0.9° | 2.3° |
| H16 | C04 | C07 | H19 | 56.1° | 93.2° |
| H16 | C04 | C07 | H20 | 178.8° | 30.0° |
| H17 | C05 | C06 | H18 | 20.2° | 38.4° |
| H18 | C06 | C07 | H19 | 74.4° | 35.1° |
| H18 | C06 | C07 | H20 | 50.6° | 158.4° |
| H21 | C24 | C26 | H23 | 78.4° | 60.0° |
| H21 | C24 | C26 | H24 | 162.0° | 179.9° |
| H22 | C24 | C26 | H23 | 40.5° | 180.0° |
| H22 | C24 | C26 | H24 | 79.1° | 60.0° |
| H23 | C26 | N27 | H26 | 74.5° | 120.0° |
| H24 | C26 | N27 | H26 | 165.8° | 120.0° |
