E0M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N16 | N15 | sing | 1.41Å | 1.36Å | Aromatic |
| N16 | N17 | doub | 1.29Å | 1.31Å | Aromatic |
| N15 | C14 | sing | 1.36Å | 1.38Å | Aromatic |
| N17 | N18 | sing | 1.28Å | 1.37Å | Aromatic |
| N12 | C11 | sing | 1.38Å | 1.40Å | |
| C14 | N18 | doub | 1.32Å | 1.42Å | Aromatic |
| C14 | C13 | sing | 1.48Å | 1.45Å | |
| C11 | C13 | doub | 1.41Å | 1.44Å | Aromatic |
| C11 | N10 | sing | 1.32Å | 1.41Å | Aromatic |
| C13 | C19 | sing | 1.39Å | 1.41Å | Aromatic |
| N10 | C09 | doub | 1.33Å | 1.40Å | Aromatic |
| C19 | C20 | doub | 1.40Å | 1.41Å | Aromatic |
| C09 | C20 | sing | 1.41Å | 1.40Å | Aromatic |
| C09 | O08 | sing | 1.35Å | 1.41Å | |
| C20 | C21 | sing | 1.48Å | 1.47Å | |
| O08 | C07 | sing | 1.35Å | 1.42Å | |
| C21 | O22 | doub | 1.22Å | 1.26Å | |
| C21 | C23 | sing | 1.48Å | 1.47Å | |
| C07 | C23 | doub | 1.40Å | 1.39Å | Aromatic |
| C07 | C06 | sing | 1.39Å | 1.44Å | Aromatic |
| C23 | C24 | sing | 1.39Å | 1.43Å | Aromatic |
| C06 | C05 | doub | 1.38Å | 1.42Å | Aromatic |
| C24 | C04 | doub | 1.38Å | 1.41Å | Aromatic |
| C05 | C04 | sing | 1.39Å | 1.41Å | Aromatic |
| C04 | C02 | sing | 1.51Å | 1.57Å | |
| C02 | C03 | sing | 1.53Å | 1.55Å | |
| C02 | C01 | sing | 1.53Å | 1.55Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C03 | H7 | sing | 1.09Å | 1.10Å | |
| C05 | H8 | sing | 1.08Å | 1.08Å | |
| C06 | H9 | sing | 1.08Å | 1.08Å | |
| C19 | H10 | sing | 1.08Å | 1.08Å | |
| C24 | H11 | sing | 1.08Å | 1.08Å | |
| N12 | H12 | sing | 0.97Å | 1.00Å | |
| N12 | H13 | sing | 0.97Å | 1.00Å | |
| N15 | H14 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N15 | N16 | N17 | 112.2° | 106.9° |
| N16 | N15 | C14 | 107.6° | 105.2° |
| N16 | N15 | H14 | 126.2° | 127.4° |
| N16 | N17 | N18 | 106.3° | 110.4° |
| N15 | C14 | N18 | 104.6° | 107.0° |
| N15 | C14 | C13 | 131.0° | 126.4° |
| C14 | N15 | H14 | 126.2° | 127.4° |
| N17 | N18 | C14 | 109.4° | 110.5° |
| N12 | C11 | C13 | 118.8° | 119.3° |
| N12 | C11 | N10 | 119.8° | 119.4° |
| C11 | N12 | H12 | 109.5° | 120.0° |
| C11 | N12 | H13 | 109.5° | 120.0° |
| N18 | C14 | C13 | 124.4° | 126.5° |
| C14 | C13 | C11 | 122.5° | 120.6° |
| C14 | C13 | C19 | 121.0° | 120.6° |
| C13 | C11 | N10 | 121.4° | 121.3° |
| C11 | C13 | C19 | 116.5° | 118.8° |
| C11 | N10 | C09 | 118.5° | 122.1° |
| C13 | C19 | C20 | 123.5° | 118.0° |
| C13 | C19 | H10 | 118.3° | 121.0° |
| N10 | C09 | C20 | 122.8° | 119.6° |
| N10 | C09 | O08 | 116.8° | 119.6° |
| C19 | C20 | C09 | 117.3° | 120.3° |
| C19 | C20 | C21 | 127.1° | 121.1° |
| C20 | C19 | H10 | 118.3° | 121.0° |
| C20 | C09 | O08 | 120.4° | 120.8° |
| C09 | C20 | C21 | 115.6° | 118.6° |
| C09 | O08 | C07 | 122.5° | 122.1° |
| C20 | C21 | O22 | 117.0° | 122.1° |
| C20 | C21 | C23 | 125.5° | 115.7° |
| O08 | C07 | C23 | 122.6° | 121.2° |
| O08 | C07 | C06 | 121.4° | 120.0° |
| O22 | C21 | C23 | 117.5° | 122.2° |
| C21 | C23 | C07 | 113.4° | 118.4° |
| C21 | C23 | C24 | 126.1° | 121.0° |
| C23 | C07 | C06 | 116.0° | 118.9° |
| C07 | C23 | C24 | 120.5° | 120.6° |
| C07 | C06 | C05 | 121.7° | 120.1° |
| C07 | C06 | H9 | 119.2° | 119.9° |
| C23 | C24 | C04 | 125.2° | 119.5° |
| C23 | C24 | H11 | 117.4° | 120.2° |
| C06 | C05 | C04 | 123.3° | 120.8° |
| C06 | C05 | H8 | 118.3° | 119.6° |
| C05 | C06 | H9 | 119.2° | 120.0° |
| C24 | C04 | C05 | 113.4° | 120.1° |
| C24 | C04 | C02 | 123.8° | 119.9° |
| C04 | C24 | H11 | 117.4° | 120.3° |
| C05 | C04 | C02 | 122.8° | 120.0° |
| C04 | C05 | H8 | 118.4° | 119.6° |
| C04 | C02 | C03 | 114.6° | 109.5° |
| C04 | C02 | C01 | 114.2° | 109.5° |
| C04 | C02 | H4 | 106.3° | 109.5° |
| C03 | C02 | C01 | 108.0° | 109.5° |
| C03 | C02 | H4 | 106.5° | 109.5° |
| C02 | C03 | H5 | 109.5° | 109.4° |
| C02 | C03 | H6 | 109.5° | 109.5° |
| C02 | C03 | H7 | 109.5° | 109.5° |
| C02 | C01 | H1 | 109.5° | 109.4° |
| C02 | C01 | H2 | 109.5° | 109.4° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C01 | C02 | H4 | 106.6° | 109.4° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H5 | C03 | H6 | 109.5° | 109.5° |
| H5 | C03 | H7 | 109.4° | 109.5° |
| H6 | C03 | H7 | 109.5° | 109.5° |
| H12 | N12 | H13 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N16 | N15 | C14 | H14 | 180.0° | 179.9° |
| N15 | N16 | N17 | N18 | 0.4° | 0.0° |
| N16 | N15 | C14 | N18 | 0.2° | 0.0° |
| N16 | N15 | C14 | C13 | 178.9° | 179.7° |
| N17 | N16 | N15 | C14 | 0.1° | 0.1° |
| N16 | N17 | N18 | C14 | 0.5° | 0.0° |
| N17 | N16 | N15 | H14 | 179.9° | 180.0° |
| N15 | C14 | N18 | N17 | 0.5° | 0.0° |
| N15 | C14 | N18 | C13 | 178.8° | 179.7° |
| N15 | C14 | C13 | C11 | 1.0° | 173.6° |
| N15 | C14 | C13 | C19 | 179.6° | 6.7° |
| N17 | N18 | C14 | C13 | 179.2° | 179.7° |
| N12 | C11 | C13 | C14 | 1.1° | 0.7° |
| N12 | C11 | C13 | N10 | 179.6° | 179.7° |
| N12 | C11 | C13 | C19 | 179.8° | 179.6° |
| N12 | C11 | N10 | C09 | 179.9° | 179.7° |
| C11 | N12 | H12 | H13 | 120.0° | 180.0° |
| N18 | C14 | C13 | C11 | 177.4° | 6.0° |
| N18 | C14 | C13 | C19 | 1.2° | 173.7° |
| N18 | C14 | N15 | H14 | 179.8° | 179.9° |
| C14 | C13 | C11 | C19 | 178.7° | 179.7° |
| C14 | C13 | C11 | N10 | 179.3° | 179.6° |
| C14 | C13 | C19 | C20 | 179.3° | 179.9° |
| C14 | C13 | C19 | H10 | 0.7° | 0.4° |
| C13 | C14 | N15 | H14 | 1.1° | 0.4° |
| C13 | C11 | N10 | C09 | 0.3° | 0.0° |
| C11 | C13 | C19 | C20 | 0.6° | 0.4° |
| C11 | C13 | C19 | H10 | 179.4° | 179.9° |
| C13 | C11 | N12 | H12 | 179.6° | 5.6° |
| C13 | C11 | N12 | H13 | 60.4° | 174.4° |
| N10 | C11 | C13 | C19 | 0.6° | 0.1° |
| C11 | N10 | C09 | C20 | 0.0° | 0.5° |
| C11 | N10 | C09 | O08 | 179.9° | 179.5° |
| N10 | C11 | N12 | H12 | 0.0° | 174.7° |
| N10 | C11 | N12 | H13 | 120.0° | 5.3° |
| C13 | C19 | C20 | H10 | 180.0° | 179.5° |
| C13 | C19 | C20 | C09 | 0.3° | 0.9° |
| C13 | C19 | C20 | C21 | 179.6° | 178.9° |
| N10 | C09 | C20 | C19 | 0.0° | 1.0° |
| N10 | C09 | C20 | O08 | 179.9° | 180.0° |
| N10 | C09 | C20 | C21 | 180.0° | 178.9° |
| N10 | C09 | O08 | C07 | 179.4° | 163.7° |
| C19 | C20 | C09 | C21 | 180.0° | 179.9° |
| C19 | C20 | C09 | O08 | 179.9° | 179.0° |
| C19 | C20 | C21 | O22 | 0.6° | 12.6° |
| C19 | C20 | C21 | C23 | 179.3° | 167.0° |
| C20 | C09 | O08 | C07 | 0.8° | 16.3° |
| C09 | C20 | C21 | O22 | 179.4° | 167.5° |
| C09 | C20 | C21 | C23 | 0.7° | 12.9° |
| C09 | C20 | C19 | H10 | 179.7° | 179.5° |
| O08 | C09 | C20 | C21 | 0.1° | 1.1° |
| C09 | O08 | C07 | C23 | 0.6° | 16.1° |
| C09 | O08 | C07 | C06 | 179.3° | 164.1° |
| C20 | C21 | O22 | C23 | 179.9° | 179.6° |
| C20 | C21 | C23 | C07 | 0.9° | 13.1° |
| C20 | C21 | C23 | C24 | 179.3° | 166.9° |
| C21 | C20 | C19 | H10 | 0.3° | 0.6° |
| O08 | C07 | C23 | C21 | 0.2° | 0.7° |
| O08 | C07 | C23 | C06 | 179.8° | 179.8° |
| O08 | C07 | C23 | C24 | 180.0° | 179.3° |
| O08 | C07 | C06 | C05 | 180.0° | 179.6° |
| O08 | C07 | C06 | H9 | 0.0° | 0.4° |
| O22 | C21 | C23 | C07 | 179.3° | 167.3° |
| O22 | C21 | C23 | C24 | 0.5° | 12.7° |
| C21 | C23 | C07 | C24 | 179.8° | 180.0° |
| C21 | C23 | C07 | C06 | 179.9° | 179.6° |
| C21 | C23 | C24 | C04 | 179.9° | 179.3° |
| C21 | C23 | C24 | H11 | 0.0° | 0.2° |
| C23 | C07 | C06 | C05 | 0.1° | 0.1° |
| C07 | C23 | C24 | C04 | 0.2° | 0.6° |
| C23 | C07 | C06 | H9 | 179.9° | 179.9° |
| C07 | C23 | C24 | H11 | 179.8° | 179.9° |
| C06 | C07 | C23 | C24 | 0.1° | 0.4° |
| C07 | C06 | C05 | H9 | 180.0° | 180.0° |
| C07 | C06 | C05 | C04 | 0.2° | 0.1° |
| C07 | C06 | C05 | H8 | 179.8° | 180.0° |
| C23 | C24 | C04 | H11 | 180.0° | 179.5° |
| C23 | C24 | C04 | C05 | 0.2° | 0.5° |
| C23 | C24 | C04 | C02 | 180.0° | 179.8° |
| C06 | C05 | C04 | C24 | 0.2° | 0.3° |
| C06 | C05 | C04 | H8 | 180.0° | 179.9° |
| C06 | C05 | C04 | C02 | 180.0° | 179.9° |
| C24 | C04 | C05 | C02 | 179.8° | 179.7° |
| C24 | C04 | C02 | C03 | 37.8° | 120.3° |
| C24 | C04 | C02 | C01 | 163.2° | 119.7° |
| C24 | C04 | C02 | H4 | 79.6° | 0.3° |
| C24 | C04 | C05 | H8 | 179.8° | 179.8° |
| C05 | C04 | C02 | C03 | 142.3° | 60.0° |
| C05 | C04 | C02 | C01 | 17.0° | 60.0° |
| C05 | C04 | C02 | H4 | 100.2° | 180.0° |
| C04 | C05 | C06 | H9 | 179.9° | 180.0° |
| C05 | C04 | C24 | H11 | 179.8° | 180.0° |
| C04 | C02 | C03 | C01 | 128.5° | 120.0° |
| C04 | C02 | C03 | H4 | 117.3° | 120.0° |
| C04 | C02 | C01 | H4 | 117.1° | 120.0° |
| C04 | C02 | C01 | H1 | 180.0° | 180.0° |
| C04 | C02 | C01 | H2 | 60.0° | 60.0° |
| C04 | C02 | C01 | H3 | 60.0° | 60.0° |
| C04 | C02 | C03 | H5 | 180.0° | 60.0° |
| C04 | C02 | C03 | H6 | 60.0° | 180.0° |
| C04 | C02 | C03 | H7 | 60.0° | 60.0° |
| C02 | C04 | C05 | H8 | 0.0° | 0.2° |
| C02 | C04 | C24 | H11 | 0.0° | 0.3° |
| C03 | C02 | C01 | H4 | 114.1° | 120.0° |
| C03 | C02 | C01 | H1 | 51.2° | 60.0° |
| C03 | C02 | C01 | H2 | 171.2° | 180.0° |
| C03 | C02 | C01 | H3 | 68.8° | 60.0° |
| C02 | C03 | H5 | H6 | 120.0° | 120.0° |
| C02 | C03 | H5 | H7 | 120.0° | 119.9° |
| C02 | C03 | H6 | H7 | 120.0° | 120.0° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | C03 | H5 | 51.5° | 180.0° |
| C01 | C02 | C03 | H6 | 68.5° | 60.0° |
| C01 | C02 | C03 | H7 | 171.5° | 60.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H1 | C01 | C02 | H4 | 62.9° | 60.0° |
| H2 | C01 | C02 | H4 | 57.1° | 60.0° |
| H3 | C01 | C02 | H4 | 177.1° | 179.9° |
| H4 | C02 | C03 | H5 | 62.7° | 60.1° |
| H4 | C02 | C03 | H6 | 177.3° | 60.0° |
| H4 | C02 | C03 | H7 | 57.3° | 180.0° |
| H5 | C03 | H6 | H7 | 120.0° | 120.0° |
| H8 | C05 | C06 | H9 | 0.2° | 0.0° |
