A1D94
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C09 | N08 | sing | 1.35Å | 1.31Å | Aromatic |
| C09 | N10 | doub | 1.30Å | 1.31Å | Aromatic |
| N08 | C07 | sing | 1.37Å | 1.31Å | Aromatic |
| N10 | C06 | sing | 1.34Å | 1.29Å | Aromatic |
| C07 | C06 | doub | 1.35Å | 1.37Å | Aromatic |
| C06 | C05 | sing | 1.51Å | 1.52Å | |
| C05 | C04 | sing | 1.53Å | 1.52Å | |
| C04 | N03 | sing | 1.47Å | 1.45Å | |
| N03 | C02 | sing | 1.35Å | 1.45Å | |
| O13 | N12 | sing | 1.42Å | 1.39Å | |
| N12 | C11 | doub | 1.32Å | 1.31Å | Aromatic |
| N12 | O14 | sing | 1.21Å | 1.35Å | Aromatic |
| C02 | C11 | sing | 1.48Å | 1.51Å | |
| C02 | O01 | doub | 1.22Å | 1.18Å | |
| C11 | C16 | sing | 1.48Å | 1.38Å | Aromatic |
| O14 | N15 | sing | 1.21Å | 1.36Å | Aromatic |
| C16 | N15 | doub | 1.31Å | 1.32Å | Aromatic |
| C16 | N17 | sing | 1.39Å | 1.46Å | |
| N17 | H1 | sing | 0.97Å | 1.00Å | |
| N17 | H2 | sing | 0.97Å | 1.00Å | |
| N03 | H3 | sing | 0.97Å | 1.00Å | |
| C04 | H4 | sing | 1.09Å | 1.10Å | |
| C04 | H5 | sing | 1.09Å | 1.10Å | |
| C05 | H6 | sing | 1.09Å | 1.10Å | |
| C05 | H7 | sing | 1.09Å | 1.10Å | |
| C07 | H8 | sing | 1.08Å | 1.08Å | |
| N08 | H9 | sing | 0.97Å | 1.00Å | |
| C09 | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N08 | C09 | N10 | 111.1° | 108.7° |
| C09 | N08 | C07 | 105.3° | 107.2° |
| C09 | N08 | H9 | 127.4° | 126.4° |
| N08 | C09 | H10 | 124.5° | 125.7° |
| C09 | N10 | C06 | 108.3° | 109.2° |
| N10 | C09 | H10 | 124.4° | 125.6° |
| N08 | C07 | C06 | 109.4° | 106.8° |
| N08 | C07 | H8 | 125.3° | 126.6° |
| C07 | N08 | H9 | 127.4° | 126.4° |
| N10 | C06 | C07 | 106.0° | 108.0° |
| N10 | C06 | C05 | 125.8° | 126.0° |
| C07 | C06 | C05 | 128.2° | 126.0° |
| C06 | C07 | H8 | 125.3° | 126.6° |
| C06 | C05 | C04 | 113.9° | 109.5° |
| C06 | C05 | H6 | 108.4° | 109.5° |
| C06 | C05 | H7 | 108.3° | 109.5° |
| C05 | C04 | N03 | 112.6° | 109.5° |
| C05 | C04 | H4 | 108.7° | 109.5° |
| C05 | C04 | H5 | 108.7° | 109.5° |
| C04 | C05 | H6 | 108.3° | 109.5° |
| C04 | C05 | H7 | 108.4° | 109.4° |
| C04 | N03 | C02 | 119.8° | 120.0° |
| C04 | N03 | H3 | 120.1° | 120.0° |
| N03 | C04 | H4 | 108.7° | 109.5° |
| N03 | C04 | H5 | 108.7° | 109.4° |
| N03 | C02 | C11 | 120.0° | 119.9° |
| N03 | C02 | O01 | 122.0° | 120.0° |
| C02 | N03 | H3 | 120.1° | 120.0° |
| O13 | N12 | C11 | 125.7° | 125.4° |
| O13 | N12 | O14 | 125.7° | 125.3° |
| C11 | N12 | O14 | 108.6° | 109.3° |
| N12 | C11 | C02 | 126.3° | 128.8° |
| N12 | C11 | C16 | 107.9° | 102.4° |
| N12 | O14 | N15 | 107.8° | 116.1° |
| C11 | C02 | O01 | 118.0° | 120.0° |
| C02 | C11 | C16 | 125.8° | 128.7° |
| C11 | C16 | N15 | 107.8° | 102.6° |
| C11 | C16 | N17 | 126.4° | 128.7° |
| O14 | N15 | C16 | 108.0° | 109.5° |
| N15 | C16 | N17 | 125.9° | 128.7° |
| C16 | N17 | H1 | 109.5° | 120.0° |
| C16 | N17 | H2 | 109.5° | 120.0° |
| H1 | N17 | H2 | 109.4° | 120.0° |
| H4 | C04 | H5 | 109.5° | 109.5° |
| H6 | C05 | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N08 | C09 | N10 | H10 | 180.0° | 179.8° |
| C09 | N08 | C07 | H9 | 180.0° | 179.9° |
| N08 | C09 | N10 | C06 | 0.3° | 0.4° |
| C09 | N08 | C07 | C06 | 0.3° | 0.0° |
| C09 | N08 | C07 | H8 | 179.7° | 179.9° |
| N10 | C09 | N08 | C07 | 0.3° | 0.3° |
| C09 | N10 | C06 | C07 | 0.1° | 0.4° |
| C09 | N10 | C06 | C05 | 179.8° | 179.9° |
| N10 | C09 | N08 | H9 | 179.7° | 179.8° |
| N08 | C07 | C06 | N10 | 0.1° | 0.2° |
| N08 | C07 | C06 | H8 | 180.0° | 180.0° |
| N08 | C07 | C06 | C05 | 179.6° | 179.9° |
| C07 | N08 | C09 | H10 | 179.7° | 180.0° |
| N10 | C06 | C07 | C05 | 179.7° | 179.7° |
| N10 | C06 | C05 | C04 | 120.8° | 55.3° |
| N10 | C06 | C05 | H6 | 0.2° | 175.3° |
| N10 | C06 | C05 | H7 | 118.5° | 64.7° |
| N10 | C06 | C07 | H8 | 179.9° | 179.8° |
| C06 | N10 | C09 | H10 | 179.7° | 179.8° |
| C07 | C06 | C05 | C04 | 59.5° | 125.0° |
| C07 | C06 | C05 | H6 | 179.8° | 5.0° |
| C07 | C06 | C05 | H7 | 61.1° | 115.0° |
| C06 | C07 | N08 | H9 | 179.7° | 179.9° |
| C06 | C05 | C04 | H6 | 120.7° | 120.0° |
| C06 | C05 | C04 | H7 | 120.6° | 120.0° |
| C06 | C05 | C04 | N03 | 65.1° | 180.0° |
| C06 | C05 | C04 | H4 | 55.4° | 60.0° |
| C06 | C05 | C04 | H5 | 174.5° | 60.0° |
| C06 | C05 | H6 | H7 | 118.0° | 120.0° |
| C05 | C06 | C07 | H8 | 0.4° | 0.1° |
| C05 | C04 | N03 | H4 | 120.5° | 120.0° |
| C05 | C04 | N03 | H5 | 120.4° | 120.0° |
| C05 | C04 | N03 | C02 | 111.7° | 180.0° |
| C05 | C04 | N03 | H3 | 68.3° | 0.0° |
| C05 | C04 | H4 | H5 | 118.6° | 120.0° |
| C04 | C05 | H6 | H7 | 118.0° | 120.0° |
| C04 | N03 | C02 | H3 | 180.0° | 180.0° |
| C04 | N03 | C02 | C11 | 179.2° | 180.0° |
| C04 | N03 | C02 | O01 | 1.3° | 0.0° |
| N03 | C04 | H4 | H5 | 118.6° | 120.0° |
| N03 | C04 | C05 | H6 | 174.3° | 60.0° |
| N03 | C04 | C05 | H7 | 55.6° | 60.0° |
| N03 | C02 | C11 | N12 | 13.2° | 0.3° |
| N03 | C02 | C11 | O01 | 178.0° | 180.0° |
| N03 | C02 | C11 | C16 | 168.3° | 180.0° |
| C02 | N03 | C04 | H4 | 127.8° | 60.0° |
| C02 | N03 | C04 | H5 | 8.7° | 60.0° |
| O13 | N12 | C11 | O14 | 179.3° | 180.0° |
| O13 | N12 | C11 | C02 | 1.8° | 0.2° |
| O13 | N12 | C11 | C16 | 179.5° | 180.0° |
| O13 | N12 | O14 | N15 | 179.3° | 179.8° |
| N12 | C11 | C02 | C16 | 178.5° | 179.7° |
| N12 | C11 | C02 | O01 | 164.8° | 179.7° |
| C11 | N12 | O14 | N15 | 0.1° | 0.3° |
| N12 | C11 | C16 | N15 | 0.3° | 0.2° |
| N12 | C11 | C16 | N17 | 179.8° | 179.9° |
| O14 | N12 | C11 | C02 | 178.9° | 179.8° |
| O14 | N12 | C11 | C16 | 0.3° | 0.0° |
| N12 | O14 | N15 | C16 | 0.1° | 0.4° |
| C02 | C11 | C16 | N15 | 179.0° | 180.0° |
| C02 | C11 | C16 | N17 | 1.5° | 0.1° |
| C11 | C02 | N03 | H3 | 0.7° | 0.0° |
| O01 | C02 | C11 | C16 | 13.7° | 0.0° |
| O01 | C02 | N03 | H3 | 178.7° | 180.0° |
| C11 | C16 | N15 | O14 | 0.3° | 0.4° |
| C11 | C16 | N15 | N17 | 179.4° | 179.9° |
| C11 | C16 | N17 | H1 | 179.4° | 0.1° |
| C11 | C16 | N17 | H2 | 60.7° | 180.0° |
| O14 | N15 | C16 | N17 | 179.7° | 179.7° |
| N15 | C16 | N17 | H1 | 0.0° | 180.0° |
| N15 | C16 | N17 | H2 | 120.0° | 0.1° |
| C16 | N17 | H1 | H2 | 120.0° | 179.9° |
| H3 | N03 | C04 | H4 | 52.2° | 120.1° |
| H3 | N03 | C04 | H5 | 171.3° | 120.0° |
| H4 | C04 | C05 | H6 | 65.3° | 180.0° |
| H4 | C04 | C05 | H7 | 176.0° | 60.0° |
| H5 | C04 | C05 | H6 | 53.8° | 60.0° |
| H5 | C04 | C05 | H7 | 64.9° | 180.0° |
| H8 | C07 | N08 | H9 | 0.3° | 0.0° |
| H9 | N08 | C09 | H10 | 0.4° | 0.0° |
