OKM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C12 | sing | 1.53Å | 1.56Å | |
| C12 | N11 | sing | 1.47Å | 1.46Å | |
| C12 | C14 | sing | 1.53Å | 1.50Å | |
| N11 | C09 | sing | 1.38Å | 1.40Å | |
| C09 | N10 | sing | 1.33Å | 1.42Å | Aromatic |
| C09 | N08 | doub | 1.33Å | 1.45Å | Aromatic |
| N10 | C04 | doub | 1.33Å | 1.39Å | Aromatic |
| N08 | C06 | sing | 1.33Å | 1.41Å | Aromatic |
| C04 | N03 | sing | 1.38Å | 1.35Å | |
| C04 | N05 | sing | 1.33Å | 1.44Å | Aromatic |
| C06 | O07 | sing | 1.35Å | 1.14Å | |
| C06 | N05 | doub | 1.33Å | 1.42Å | Aromatic |
| N03 | C02 | sing | 1.47Å | 1.43Å | |
| C02 | C01 | sing | 1.53Å | 1.55Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C02 | H7 | sing | 1.09Å | 1.10Å | |
| C02 | H8 | sing | 1.09Å | 1.10Å | |
| N03 | H9 | sing | 0.97Å | 1.00Å | |
| N11 | H11 | sing | 0.97Å | 1.00Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| O07 | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C12 | N11 | 113.2° | 109.4° |
| C13 | C12 | C14 | 108.7° | 109.5° |
| C12 | C13 | H1 | 109.5° | 109.5° |
| C12 | C13 | H2 | 109.5° | 109.4° |
| C12 | C13 | H3 | 109.5° | 109.4° |
| C13 | C12 | H12 | 108.2° | 109.5° |
| N11 | C12 | C14 | 108.3° | 109.5° |
| C12 | N11 | C09 | 124.9° | 120.0° |
| C12 | N11 | H11 | 105.5° | 120.0° |
| N11 | C12 | H12 | 109.5° | 109.4° |
| C14 | C12 | H12 | 108.9° | 109.5° |
| C12 | C14 | H13 | 109.5° | 109.4° |
| C12 | C14 | H14 | 109.5° | 109.5° |
| C12 | C14 | H15 | 109.4° | 109.4° |
| N11 | C09 | N10 | 122.5° | 120.0° |
| N11 | C09 | N08 | 118.3° | 120.0° |
| C09 | N11 | H11 | 105.5° | 120.0° |
| N10 | C09 | N08 | 118.8° | 120.0° |
| C09 | N10 | C04 | 120.7° | 120.0° |
| C09 | N08 | C06 | 117.8° | 120.0° |
| N10 | C04 | N03 | 117.8° | 120.0° |
| N10 | C04 | N05 | 122.4° | 120.0° |
| N08 | C06 | O07 | 116.5° | 120.0° |
| N08 | C06 | N05 | 124.2° | 120.0° |
| N03 | C04 | N05 | 119.6° | 120.0° |
| C04 | N03 | C02 | 125.1° | 120.0° |
| C04 | N03 | H9 | 105.4° | 120.0° |
| C04 | N05 | C06 | 115.2° | 120.0° |
| O07 | C06 | N05 | 118.7° | 120.0° |
| C06 | O07 | H10 | 109.5° | 114.0° |
| N03 | C02 | C01 | 108.9° | 109.4° |
| N03 | C02 | H7 | 109.6° | 109.5° |
| N03 | C02 | H8 | 109.6° | 109.5° |
| C02 | N03 | H9 | 105.4° | 120.0° |
| C02 | C01 | H4 | 109.5° | 109.4° |
| C02 | C01 | H5 | 109.5° | 109.5° |
| C02 | C01 | H6 | 109.5° | 109.5° |
| C01 | C02 | H7 | 109.6° | 109.4° |
| C01 | C02 | H8 | 109.6° | 109.5° |
| H1 | C13 | H2 | 109.5° | 109.5° |
| H1 | C13 | H3 | 109.5° | 109.4° |
| H2 | C13 | H3 | 109.4° | 109.5° |
| H4 | C01 | H5 | 109.4° | 109.4° |
| H4 | C01 | H6 | 109.5° | 109.5° |
| H5 | C01 | H6 | 109.5° | 109.5° |
| H7 | C02 | H8 | 109.5° | 109.5° |
| H13 | C14 | H14 | 109.5° | 109.5° |
| H13 | C14 | H15 | 109.5° | 109.4° |
| H14 | C14 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C12 | N11 | C14 | 120.6° | 120.0° |
| C13 | C12 | N11 | H12 | 120.8° | 119.9° |
| C13 | C12 | C14 | H12 | 117.6° | 120.0° |
| C13 | C12 | N11 | C09 | 147.8° | 155.0° |
| C12 | C13 | H1 | H2 | 120.0° | 120.0° |
| C12 | C13 | H1 | H3 | 120.0° | 120.0° |
| C12 | C13 | H2 | H3 | 120.0° | 119.9° |
| C13 | C12 | N11 | H11 | 25.7° | 25.0° |
| C13 | C12 | C14 | H13 | 180.0° | 60.0° |
| C13 | C12 | C14 | H14 | 60.0° | 180.0° |
| C13 | C12 | C14 | H15 | 60.0° | 59.9° |
| N11 | C12 | C14 | H12 | 119.0° | 120.0° |
| C12 | N11 | C09 | H11 | 122.1° | 180.0° |
| C12 | N11 | C09 | N10 | 5.3° | 180.0° |
| C12 | N11 | C09 | N08 | 178.3° | 0.6° |
| N11 | C12 | C13 | H1 | 180.0° | 60.0° |
| N11 | C12 | C13 | H2 | 60.0° | 180.0° |
| N11 | C12 | C13 | H3 | 60.0° | 60.0° |
| N11 | C12 | C14 | H13 | 56.6° | 179.9° |
| N11 | C12 | C14 | H14 | 63.4° | 60.0° |
| N11 | C12 | C14 | H15 | 176.6° | 60.0° |
| C14 | C12 | N11 | C09 | 91.5° | 85.0° |
| C14 | C12 | C13 | H1 | 59.6° | 180.0° |
| C14 | C12 | C13 | H2 | 60.4° | 60.0° |
| C14 | C12 | C13 | H3 | 179.6° | 60.0° |
| C14 | C12 | N11 | H11 | 146.3° | 95.0° |
| C12 | C14 | H13 | H14 | 120.0° | 120.1° |
| C12 | C14 | H13 | H15 | 120.0° | 119.9° |
| C12 | C14 | H14 | H15 | 120.0° | 120.0° |
| N11 | C09 | N10 | N08 | 173.0° | 179.4° |
| N11 | C09 | N10 | C04 | 178.4° | 180.0° |
| N11 | C09 | N08 | C06 | 178.2° | 179.7° |
| C09 | N11 | C12 | H12 | 27.1° | 35.0° |
| N10 | C09 | N08 | C06 | 8.5° | 0.3° |
| C09 | N10 | C04 | N03 | 177.7° | 179.7° |
| C09 | N10 | C04 | N05 | 7.7° | 0.6° |
| N10 | C09 | N11 | H11 | 127.4° | 0.0° |
| N08 | C09 | N10 | C04 | 8.6° | 0.6° |
| C09 | N08 | C06 | O07 | 179.6° | 180.0° |
| C09 | N08 | C06 | N05 | 7.9° | 0.0° |
| N08 | C09 | N11 | H11 | 59.7° | 179.4° |
| N10 | C04 | N03 | N05 | 174.8° | 179.7° |
| N10 | C04 | N05 | C06 | 6.2° | 0.3° |
| N10 | C04 | N03 | C02 | 178.7° | 179.7° |
| N10 | C04 | N03 | H9 | 56.6° | 0.2° |
| N08 | C06 | N05 | C04 | 6.6° | 0.0° |
| N08 | C06 | O07 | N05 | 172.1° | 180.0° |
| N08 | C06 | O07 | H10 | 0.0° | 89.9° |
| N03 | C04 | N05 | C06 | 179.2° | 180.0° |
| C04 | N03 | C02 | H9 | 122.1° | 179.9° |
| C04 | N03 | C02 | C01 | 173.7° | 180.0° |
| C04 | N03 | C02 | H7 | 53.7° | 60.1° |
| C04 | N03 | C02 | H8 | 66.4° | 59.9° |
| C04 | N05 | C06 | O07 | 178.0° | 180.0° |
| N05 | C04 | N03 | C02 | 4.0° | 0.0° |
| N05 | C04 | N03 | H9 | 118.2° | 179.9° |
| N05 | C06 | O07 | H10 | 172.1° | 90.1° |
| N03 | C02 | C01 | H7 | 119.9° | 120.0° |
| N03 | C02 | C01 | H8 | 119.9° | 120.0° |
| N03 | C02 | C01 | H4 | 180.0° | 179.9° |
| N03 | C02 | C01 | H5 | 60.0° | 60.0° |
| N03 | C02 | C01 | H6 | 60.0° | 60.0° |
| N03 | C02 | H7 | H8 | 120.2° | 120.1° |
| C02 | C01 | H4 | H5 | 120.0° | 120.0° |
| C02 | C01 | H4 | H6 | 120.0° | 120.0° |
| C02 | C01 | H5 | H6 | 120.0° | 120.0° |
| C01 | C02 | H7 | H8 | 120.3° | 120.0° |
| C01 | C02 | N03 | H9 | 64.2° | 0.1° |
| H1 | C13 | H2 | H3 | 120.0° | 120.0° |
| H1 | C13 | C12 | H12 | 58.5° | 60.0° |
| H2 | C13 | C12 | H12 | 178.5° | 60.1° |
| H3 | C13 | C12 | H12 | 61.5° | 179.9° |
| H4 | C01 | H5 | H6 | 120.0° | 120.0° |
| H4 | C01 | C02 | H7 | 60.1° | 60.0° |
| H4 | C01 | C02 | H8 | 60.1° | 60.0° |
| H5 | C01 | C02 | H7 | 179.9° | 60.0° |
| H5 | C01 | C02 | H8 | 59.9° | 180.0° |
| H6 | C01 | C02 | H7 | 59.9° | 180.0° |
| H6 | C01 | C02 | H8 | 179.9° | 60.0° |
| H7 | C02 | N03 | H9 | 175.9° | 120.0° |
| H8 | C02 | N03 | H9 | 55.7° | 119.9° |
| H11 | N11 | C12 | H12 | 95.1° | 145.0° |
| H12 | C12 | C14 | H13 | 62.4° | 60.1° |
| H12 | C12 | C14 | H14 | 177.6° | 60.0° |
| H12 | C12 | C14 | H15 | 57.6° | 180.0° |
| H13 | C14 | H14 | H15 | 120.0° | 120.0° |
