EDV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C29 | C28 | trip | 1.17Å | 1.11Å | |
| C28 | C25 | sing | 1.43Å | 1.39Å | |
| C25 | C26 | doub | 1.37Å | 1.40Å | |
| C25 | C23 | sing | 1.47Å | 1.38Å | |
| O24 | C23 | doub | 1.22Å | 1.24Å | |
| C03 | O01 | sing | 1.43Å | 1.43Å | |
| C03 | C06 | sing | 1.53Å | 1.55Å | |
| C26 | N18 | sing | 1.36Å | 1.42Å | |
| C23 | N21 | sing | 1.35Å | 1.41Å | |
| O08 | C06 | sing | 1.44Å | 1.44Å | |
| O08 | C16 | sing | 1.44Å | 1.48Å | |
| C06 | C09 | sing | 1.54Å | 1.59Å | |
| N21 | C19 | sing | 1.34Å | 1.41Å | |
| N18 | C19 | sing | 1.34Å | 1.35Å | |
| N18 | C16 | sing | 1.46Å | 1.51Å | |
| C19 | O20 | doub | 1.22Å | 1.23Å | |
| C16 | C13 | sing | 1.54Å | 1.57Å | |
| C09 | O11 | sing | 1.43Å | 1.42Å | |
| C09 | C13 | sing | 1.54Å | 1.53Å | |
| C13 | C15 | sing | 1.53Å | 1.51Å | |
| O01 | H1 | sing | 0.97Å | 0.95Å | |
| C03 | H2 | sing | 1.09Å | 1.10Å | |
| C03 | H3 | sing | 1.09Å | 1.10Å | |
| C06 | H4 | sing | 1.09Å | 1.10Å | |
| C09 | H5 | sing | 1.09Å | 1.10Å | |
| O11 | H6 | sing | 0.97Å | 0.95Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| N21 | H12 | sing | 0.97Å | 1.00Å | |
| C26 | H13 | sing | 1.08Å | 1.08Å | |
| C29 | H14 | sing | 1.05Å | 1.06Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C29 | C28 | C25 | 178.9° | 180.0° |
| C28 | C29 | H14 | 180.0° | 180.0° |
| C28 | C25 | C26 | 122.9° | 120.8° |
| C28 | C25 | C23 | 116.5° | 120.9° |
| C26 | C25 | C23 | 120.6° | 118.3° |
| C25 | C26 | N18 | 120.3° | 119.4° |
| C25 | C26 | H13 | 119.8° | 120.3° |
| C25 | C23 | O24 | 120.0° | 120.7° |
| C25 | C23 | N21 | 118.7° | 118.7° |
| O24 | C23 | N21 | 121.3° | 120.7° |
| O01 | C03 | C06 | 112.1° | 109.5° |
| C03 | O01 | H1 | 109.5° | 114.0° |
| O01 | C03 | H2 | 108.8° | 109.4° |
| O01 | C03 | H3 | 108.8° | 109.5° |
| C03 | C06 | O08 | 101.0° | 110.4° |
| C03 | C06 | C09 | 119.5° | 110.4° |
| C06 | C03 | H2 | 108.8° | 109.5° |
| C06 | C03 | H3 | 108.8° | 109.5° |
| C03 | C06 | H4 | 110.1° | 110.3° |
| C26 | N18 | C19 | 119.1° | 121.4° |
| C26 | N18 | C16 | 120.0° | 119.3° |
| N18 | C26 | H13 | 119.9° | 120.3° |
| C23 | N21 | C19 | 120.5° | 120.3° |
| C23 | N21 | H12 | 119.7° | 119.8° |
| C06 | O08 | C16 | 109.0° | 105.3° |
| O08 | C06 | C09 | 104.4° | 104.8° |
| O08 | C06 | H4 | 111.8° | 110.5° |
| O08 | C16 | N18 | 107.1° | 110.4° |
| O08 | C16 | C13 | 108.9° | 104.8° |
| O08 | C16 | H11 | 107.2° | 110.3° |
| C06 | C09 | O11 | 109.0° | 110.5° |
| C06 | C09 | C13 | 105.6° | 104.0° |
| C09 | C06 | H4 | 109.5° | 110.4° |
| C06 | C09 | H5 | 110.5° | 110.5° |
| N21 | C19 | N18 | 120.7° | 121.9° |
| N21 | C19 | O20 | 118.4° | 119.0° |
| C19 | N21 | H12 | 119.8° | 119.8° |
| C19 | N18 | C16 | 120.8° | 119.3° |
| N18 | C19 | O20 | 120.9° | 119.1° |
| N18 | C16 | C13 | 119.8° | 110.4° |
| N18 | C16 | H11 | 106.9° | 110.4° |
| C16 | C13 | C09 | 97.9° | 104.1° |
| C16 | C13 | C15 | 115.1° | 110.5° |
| C16 | C13 | H7 | 110.6° | 110.7° |
| C13 | C16 | H11 | 106.3° | 110.4° |
| O11 | C09 | C13 | 106.9° | 110.6° |
| O11 | C09 | H5 | 113.1° | 110.5° |
| C09 | O11 | H6 | 109.5° | 114.0° |
| C09 | C13 | C15 | 110.1° | 110.5° |
| C13 | C09 | H5 | 111.4° | 110.7° |
| C09 | C13 | H7 | 111.2° | 110.5° |
| C15 | C13 | H7 | 111.4° | 110.5° |
| C13 | C15 | H8 | 109.5° | 109.5° |
| C13 | C15 | H9 | 109.5° | 109.5° |
| C13 | C15 | H10 | 109.5° | 109.5° |
| H2 | C03 | H3 | 109.4° | 109.5° |
| H8 | C15 | H9 | 109.5° | 109.5° |
| H8 | C15 | H10 | 109.4° | 109.5° |
| H9 | C15 | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C29 | C28 | C25 | C26 | 177.4° | 104.5° |
| C29 | C28 | C25 | C23 | 2.7° | 76.1° |
| C28 | C25 | C26 | C23 | 179.9° | 179.5° |
| C28 | C25 | C23 | O24 | 0.1° | 0.2° |
| C28 | C25 | C26 | N18 | 179.1° | 180.0° |
| C28 | C25 | C23 | N21 | 179.7° | 179.8° |
| C28 | C25 | C26 | H13 | 0.9° | 0.5° |
| C25 | C28 | C29 | H14 | 16.4° | 71.9° |
| C26 | C25 | C23 | O24 | 179.9° | 179.7° |
| C25 | C26 | N18 | H13 | 180.0° | 179.4° |
| C26 | C25 | C23 | N21 | 0.2° | 0.3° |
| C25 | C26 | N18 | C19 | 1.4° | 0.6° |
| C25 | C26 | N18 | C16 | 178.1° | 179.8° |
| C25 | C23 | O24 | N21 | 179.7° | 180.0° |
| C23 | C25 | C26 | N18 | 0.8° | 0.6° |
| C25 | C23 | N21 | C19 | 0.1° | 0.0° |
| C25 | C23 | N21 | H12 | 179.9° | 180.0° |
| C23 | C25 | C26 | H13 | 179.2° | 180.0° |
| O24 | C23 | N21 | C19 | 179.8° | 180.0° |
| O24 | C23 | N21 | H12 | 0.2° | 0.0° |
| O01 | C03 | C06 | H2 | 120.4° | 119.9° |
| O01 | C03 | C06 | H3 | 120.4° | 120.0° |
| O01 | C03 | C06 | O08 | 161.3° | 69.6° |
| O01 | C03 | C06 | C09 | 47.6° | 175.0° |
| O01 | C03 | H2 | H3 | 118.8° | 119.9° |
| O01 | C03 | C06 | H4 | 80.4° | 52.8° |
| C03 | C06 | O08 | C09 | 124.6° | 118.8° |
| C03 | C06 | O08 | H4 | 117.1° | 122.2° |
| C03 | C06 | O08 | C16 | 114.3° | 159.3° |
| C03 | C06 | C09 | H4 | 128.3° | 122.2° |
| C03 | C06 | C09 | O11 | 164.8° | 98.5° |
| C03 | C06 | C09 | C13 | 80.6° | 142.8° |
| C06 | C03 | O01 | H1 | 180.0° | 180.0° |
| C06 | C03 | H2 | H3 | 118.8° | 120.1° |
| C03 | C06 | C09 | H5 | 40.0° | 24.0° |
| C26 | N18 | C16 | O08 | 36.2° | 20.5° |
| C26 | N18 | C19 | N21 | 1.3° | 0.3° |
| C26 | N18 | C19 | C16 | 176.7° | 179.7° |
| C26 | N18 | C19 | O20 | 179.0° | 179.7° |
| C26 | N18 | C16 | C13 | 88.3° | 94.9° |
| C26 | N18 | C16 | H11 | 150.9° | 142.7° |
| C23 | N21 | C19 | H12 | 180.0° | 180.0° |
| C23 | N21 | C19 | N18 | 0.7° | 0.0° |
| C23 | N21 | C19 | O20 | 179.6° | 180.0° |
| O08 | C06 | C09 | H4 | 119.9° | 119.0° |
| C06 | O08 | C16 | N18 | 144.4° | 159.3° |
| C06 | O08 | C16 | C13 | 13.4° | 40.5° |
| O08 | C06 | C09 | O11 | 83.3° | 142.6° |
| O08 | C06 | C09 | C13 | 31.3° | 24.0° |
| O08 | C06 | C03 | H2 | 78.3° | 50.4° |
| O08 | C06 | C03 | H3 | 40.9° | 170.4° |
| O08 | C06 | C09 | H5 | 151.9° | 94.8° |
| C06 | O08 | C16 | H11 | 101.2° | 78.4° |
| C16 | O08 | C06 | C09 | 10.4° | 40.5° |
| O08 | C16 | N18 | C19 | 140.4° | 159.2° |
| O08 | C16 | N18 | C13 | 124.6° | 115.4° |
| O08 | C16 | N18 | H11 | 114.7° | 122.3° |
| O08 | C16 | C13 | H11 | 115.2° | 118.8° |
| O08 | C16 | C13 | C09 | 31.4° | 24.0° |
| O08 | C16 | C13 | C15 | 85.2° | 94.7° |
| C16 | O08 | C06 | H4 | 128.7° | 78.4° |
| O08 | C16 | C13 | H7 | 147.6° | 142.7° |
| C06 | C09 | C13 | C16 | 36.6° | 0.0° |
| C06 | C09 | O11 | C13 | 113.7° | 114.6° |
| C06 | C09 | O11 | H5 | 123.3° | 122.5° |
| C06 | C09 | C13 | H5 | 120.0° | 118.7° |
| C06 | C09 | C13 | C15 | 83.8° | 118.7° |
| C09 | C06 | C03 | H2 | 168.0° | 65.1° |
| C09 | C06 | C03 | H3 | 72.8° | 55.0° |
| C06 | C09 | O11 | H6 | 180.0° | 61.4° |
| C06 | C09 | C13 | H7 | 152.3° | 118.8° |
| N21 | C19 | N18 | O20 | 179.7° | 180.0° |
| N21 | C19 | N18 | C16 | 178.0° | 179.9° |
| C19 | N18 | C16 | C13 | 95.0° | 85.4° |
| C19 | N18 | C16 | H11 | 25.8° | 37.0° |
| N18 | C19 | N21 | H12 | 179.3° | 180.0° |
| C19 | N18 | C26 | H13 | 178.6° | 180.0° |
| C16 | N18 | C19 | O20 | 2.3° | 0.0° |
| N18 | C16 | C13 | H11 | 121.0° | 122.4° |
| N18 | C16 | C13 | C09 | 155.1° | 142.8° |
| N18 | C16 | C13 | C15 | 38.5° | 24.2° |
| N18 | C16 | C13 | H7 | 88.7° | 98.5° |
| C16 | N18 | C26 | H13 | 1.9° | 0.3° |
| O20 | C19 | N21 | H12 | 0.4° | 0.0° |
| C16 | C13 | C09 | O11 | 79.4° | 118.6° |
| C16 | C13 | C09 | C15 | 120.4° | 118.6° |
| C16 | C13 | C09 | H7 | 115.7° | 118.8° |
| C16 | C13 | C15 | H7 | 126.8° | 122.8° |
| C16 | C13 | C09 | H5 | 156.6° | 118.7° |
| C16 | C13 | C15 | H8 | 180.0° | 175.0° |
| C16 | C13 | C15 | H9 | 60.0° | 65.0° |
| C16 | C13 | C15 | H10 | 60.0° | 55.0° |
| O11 | C09 | C13 | H5 | 124.0° | 122.7° |
| O11 | C09 | C13 | C15 | 160.2° | 122.7° |
| O11 | C09 | C06 | H4 | 36.6° | 23.7° |
| O11 | C09 | C13 | H7 | 36.3° | 0.2° |
| C09 | C13 | C15 | H7 | 123.8° | 122.6° |
| C13 | C09 | C06 | H4 | 151.1° | 95.0° |
| C13 | C09 | O11 | H6 | 66.3° | 176.1° |
| C09 | C13 | C15 | H8 | 70.6° | 60.3° |
| C09 | C13 | C15 | H9 | 169.4° | 179.7° |
| C09 | C13 | C15 | H10 | 49.4° | 59.7° |
| C09 | C13 | C16 | H11 | 83.9° | 94.8° |
| C15 | C13 | C09 | H5 | 36.2° | 0.0° |
| C13 | C15 | H8 | H9 | 120.0° | 120.0° |
| C13 | C15 | H8 | H10 | 120.0° | 120.0° |
| C13 | C15 | H9 | H10 | 120.0° | 120.0° |
| C15 | C13 | C16 | H11 | 159.5° | 146.5° |
| H1 | O01 | C03 | H2 | 59.6° | 60.0° |
| H1 | O01 | C03 | H3 | 59.6° | 59.9° |
| H2 | C03 | C06 | H4 | 40.0° | 172.7° |
| H3 | C03 | C06 | H4 | 159.2° | 67.2° |
| H4 | C06 | C09 | H5 | 88.3° | 146.2° |
| H5 | C09 | O11 | H6 | 56.7° | 61.1° |
| H5 | C09 | C13 | H7 | 87.7° | 122.5° |
| H7 | C13 | C15 | H8 | 53.2° | 62.2° |
| H7 | C13 | C15 | H9 | 66.8° | 57.8° |
| H7 | C13 | C15 | H10 | 173.2° | 177.8° |
| H7 | C13 | C16 | H11 | 32.3° | 23.9° |
| H8 | C15 | H9 | H10 | 120.0° | 120.0° |
