8N3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C11 | sing | 1.53Å | 1.51Å | |
| C12 | C11 | sing | 1.53Å | 1.55Å | |
| CD1 | CG1 | doub | 1.38Å | 1.36Å | Aromatic |
| CD1 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| CG1 | CB | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.53Å | 1.47Å | |
| C3 | C2 | doub | 1.38Å | 1.36Å | Aromatic |
| C10 | C9 | sing | 1.53Å | 1.46Å | |
| CB | CA | sing | 1.51Å | 1.50Å | |
| CB | CG2 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | CG2 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.48Å | |
| O | C8 | doub | 1.22Å | 1.20Å | |
| C8 | N2 | sing | 1.35Å | 1.30Å | |
| C8 | N | sing | 1.35Å | 1.37Å | |
| N2 | C9 | sing | 1.46Å | 1.28Å | |
| CA | N | sing | 1.46Å | 1.39Å | |
| C9 | C14 | sing | 1.51Å | 1.49Å | |
| C14 | O2 | doub | 1.21Å | 1.22Å | |
| C14 | N3 | sing | 1.35Å | 1.34Å | |
| N3 | O3 | sing | 1.42Å | 1.36Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| CD1 | H5 | sing | 1.08Å | 1.08Å | |
| CG1 | H6 | sing | 1.08Å | 1.08Å | |
| CA | H7 | sing | 1.09Å | 1.10Å | |
| CA | H8 | sing | 1.09Å | 1.10Å | |
| N | H9 | sing | 0.97Å | 1.00Å | |
| N2 | H10 | sing | 0.97Å | 1.00Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| N3 | H21 | sing | 0.97Å | 1.00Å | |
| O3 | H22 | sing | 0.97Å | 0.95Å | |
| CG2 | H23 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C11 | C12 | 112.3° | 109.4° |
| C13 | C11 | C10 | 106.1° | 109.5° |
| C13 | C11 | H14 | 108.7° | 109.5° |
| C11 | C13 | H18 | 109.5° | 109.5° |
| C11 | C13 | H19 | 109.5° | 109.5° |
| C11 | C13 | H20 | 109.5° | 109.5° |
| C12 | C11 | C10 | 112.5° | 109.5° |
| C12 | C11 | H14 | 108.2° | 109.5° |
| C11 | C12 | H15 | 109.5° | 109.5° |
| C11 | C12 | H16 | 109.5° | 109.5° |
| C11 | C12 | H17 | 109.5° | 109.4° |
| CG1 | CD1 | C3 | 123.1° | 120.0° |
| CD1 | CG1 | CB | 112.8° | 120.0° |
| CG1 | CD1 | H5 | 118.5° | 120.0° |
| CD1 | CG1 | H6 | 123.6° | 119.9° |
| CD1 | C3 | C2 | 125.0° | 119.9° |
| CD1 | C3 | H4 | 117.5° | 120.0° |
| C3 | CD1 | H5 | 118.5° | 120.0° |
| CG1 | CB | CA | 121.5° | 120.0° |
| CG1 | CB | CG2 | 124.2° | 120.0° |
| CB | CG1 | H6 | 123.6° | 120.1° |
| C11 | C10 | C9 | 104.7° | 109.5° |
| C11 | C10 | H12 | 110.6° | 109.5° |
| C11 | C10 | H13 | 110.6° | 109.5° |
| C10 | C11 | H14 | 109.1° | 109.5° |
| C3 | C2 | CG2 | 113.8° | 120.0° |
| C3 | C2 | C1 | 122.3° | 120.0° |
| C2 | C3 | H4 | 117.5° | 120.1° |
| C10 | C9 | N2 | 114.1° | 109.5° |
| C10 | C9 | C14 | 125.0° | 109.5° |
| C10 | C9 | H11 | 98.5° | 109.4° |
| C9 | C10 | H12 | 110.7° | 109.5° |
| C9 | C10 | H13 | 110.7° | 109.5° |
| CA | CB | CG2 | 113.9° | 120.0° |
| CB | CA | N | 123.8° | 109.5° |
| CB | CA | H7 | 105.8° | 109.4° |
| CB | CA | H8 | 105.8° | 109.5° |
| CB | CG2 | C2 | 121.1° | 120.0° |
| CB | CG2 | H23 | 119.4° | 120.0° |
| CG2 | C2 | C1 | 123.9° | 120.0° |
| C2 | CG2 | H23 | 119.4° | 120.0° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| O | C8 | N2 | 124.9° | 120.0° |
| O | C8 | N | 134.5° | 120.0° |
| N2 | C8 | N | 100.6° | 120.0° |
| C8 | N2 | C9 | 101.3° | 120.0° |
| C8 | N2 | H10 | 129.4° | 119.9° |
| C8 | N | CA | 118.8° | 120.0° |
| C8 | N | H9 | 120.6° | 120.0° |
| N2 | C9 | C14 | 114.0° | 109.5° |
| C9 | N2 | H10 | 129.4° | 120.0° |
| N2 | C9 | H11 | 99.7° | 109.5° |
| N | CA | H7 | 105.8° | 109.5° |
| N | CA | H8 | 105.8° | 109.5° |
| CA | N | H9 | 120.6° | 120.0° |
| C9 | C14 | O2 | 124.5° | 120.0° |
| C9 | C14 | N3 | 105.0° | 120.0° |
| C14 | C9 | H11 | 98.3° | 109.5° |
| O2 | C14 | N3 | 130.3° | 120.0° |
| C14 | N3 | O3 | 113.5° | 120.0° |
| C14 | N3 | H21 | 123.3° | 120.0° |
| O3 | N3 | H21 | 123.2° | 120.0° |
| N3 | O3 | H22 | 109.5° | 114.0° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H7 | CA | H8 | 109.5° | 109.4° |
| H12 | C10 | H13 | 109.5° | 109.4° |
| H15 | C12 | H16 | 109.5° | 109.5° |
| H15 | C12 | H17 | 109.5° | 109.5° |
| H16 | C12 | H17 | 109.4° | 109.4° |
| H18 | C13 | H19 | 109.5° | 109.5° |
| H18 | C13 | H20 | 109.5° | 109.4° |
| H19 | C13 | H20 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C11 | C12 | C10 | 119.5° | 120.0° |
| C13 | C11 | C12 | H14 | 119.9° | 120.0° |
| C13 | C11 | C10 | H14 | 116.9° | 120.0° |
| C13 | C11 | C10 | C9 | 158.8° | 174.1° |
| C13 | C11 | C10 | H12 | 82.0° | 65.8° |
| C13 | C11 | C10 | H13 | 39.5° | 54.1° |
| C13 | C11 | C12 | H15 | 180.0° | 60.0° |
| C13 | C11 | C12 | H16 | 60.0° | 60.0° |
| C13 | C11 | C12 | H17 | 60.0° | 180.0° |
| C11 | C13 | H18 | H19 | 120.0° | 120.0° |
| C11 | C13 | H18 | H20 | 120.0° | 120.0° |
| C11 | C13 | H19 | H20 | 120.0° | 120.0° |
| C12 | C11 | C10 | H14 | 120.0° | 120.0° |
| C12 | C11 | C10 | C9 | 78.1° | 65.9° |
| C12 | C11 | C10 | H12 | 41.1° | 54.2° |
| C12 | C11 | C10 | H13 | 162.6° | 174.1° |
| C11 | C12 | H15 | H16 | 120.0° | 120.1° |
| C11 | C12 | H15 | H17 | 120.0° | 119.9° |
| C11 | C12 | H16 | H17 | 120.0° | 120.0° |
| C12 | C11 | C13 | H18 | 180.0° | 179.6° |
| C12 | C11 | C13 | H19 | 60.0° | 59.6° |
| C12 | C11 | C13 | H20 | 60.0° | 60.4° |
| CG1 | CD1 | C3 | H5 | 180.0° | 180.0° |
| CD1 | CG1 | CB | H6 | 180.0° | 180.0° |
| CG1 | CD1 | C3 | C2 | 1.6° | 0.0° |
| CD1 | CG1 | CB | CA | 176.2° | 180.0° |
| CD1 | CG1 | CB | CG2 | 4.0° | 0.0° |
| CG1 | CD1 | C3 | H4 | 178.5° | 180.0° |
| C3 | CD1 | CG1 | CB | 1.2° | NaN° |
| CD1 | C3 | C2 | H4 | 180.0° | 180.0° |
| CD1 | C3 | C2 | CG2 | 1.5° | 0.0° |
| CD1 | C3 | C2 | C1 | 178.8° | 179.7° |
| C3 | CD1 | CG1 | H6 | 178.8° | 180.0° |
| CG1 | CB | CA | CG2 | 172.9° | 180.0° |
| CG1 | CB | CG2 | C2 | 4.3° | 0.0° |
| CG1 | CB | CA | N | 43.0° | 90.0° |
| CB | CG1 | CD1 | H5 | 178.8° | 180.0° |
| CG1 | CB | CA | H7 | 79.0° | 150.0° |
| CG1 | CB | CA | H8 | 164.9° | 30.1° |
| CG1 | CB | CG2 | H23 | 175.7° | 179.7° |
| C11 | C10 | C9 | H12 | 119.2° | 120.0° |
| C11 | C10 | C9 | H13 | 119.2° | 120.0° |
| C11 | C10 | C9 | N2 | 112.0° | 64.7° |
| C11 | C10 | C9 | C14 | 99.2° | 175.3° |
| C11 | C10 | C9 | H11 | 7.3° | 55.3° |
| C11 | C10 | H12 | H13 | 122.2° | 119.9° |
| C10 | C11 | C12 | H15 | 60.5° | 60.0° |
| C10 | C11 | C12 | H16 | 179.5° | 180.0° |
| C10 | C11 | C12 | H17 | 59.6° | 60.0° |
| C10 | C11 | C13 | H18 | 56.7° | 60.4° |
| C10 | C11 | C13 | H19 | 63.3° | 179.6° |
| C10 | C11 | C13 | H20 | 176.8° | 59.6° |
| C3 | C2 | CG2 | CB | 1.3° | 0.0° |
| C3 | C2 | CG2 | C1 | 179.7° | 179.7° |
| C3 | C2 | C1 | H1 | 89.8° | 89.7° |
| C3 | C2 | C1 | H2 | 150.2° | 30.3° |
| C3 | C2 | C1 | H3 | 30.2° | 150.3° |
| C2 | C3 | CD1 | H5 | 178.4° | 180.0° |
| C3 | C2 | CG2 | H23 | 178.7° | 179.7° |
| C10 | C9 | N2 | C8 | 74.7° | 155.0° |
| C10 | C9 | N2 | C14 | 152.4° | 120.0° |
| C10 | C9 | N2 | H11 | 103.9° | 120.0° |
| C10 | C9 | C14 | H11 | 106.5° | 120.0° |
| C10 | C9 | C14 | O2 | 51.2° | 120.0° |
| C10 | C9 | C14 | N3 | 124.5° | 60.0° |
| C10 | C9 | N2 | H10 | 105.4° | 24.9° |
| C9 | C10 | H12 | H13 | 122.3° | 120.0° |
| C9 | C10 | C11 | H14 | 41.9° | 54.1° |
| CA | CB | CG2 | C2 | 177.0° | 180.0° |
| CB | CA | N | C8 | 17.9° | 180.0° |
| CB | CA | N | H7 | 121.9° | 120.0° |
| CB | CA | N | H8 | 121.9° | 120.0° |
| CA | CB | CG1 | H6 | 3.9° | 0.1° |
| CB | CA | H7 | H8 | 113.6° | 120.0° |
| CB | CA | N | H9 | 162.1° | 0.1° |
| CA | CB | CG2 | H23 | 3.0° | 0.3° |
| CB | CG2 | C2 | H23 | 180.0° | 179.7° |
| CB | CG2 | C2 | C1 | 178.4° | 179.7° |
| CG2 | CB | CA | N | 144.2° | 90.0° |
| CG2 | CB | CG1 | H6 | 176.0° | 179.9° |
| CG2 | CB | CA | H7 | 93.9° | 30.0° |
| CG2 | CB | CA | H8 | 22.2° | 150.0° |
| CG2 | C2 | C1 | H1 | 89.8° | 90.0° |
| CG2 | C2 | C1 | H2 | 30.1° | 150.0° |
| CG2 | C2 | C1 | H3 | 150.1° | 30.0° |
| CG2 | C2 | C3 | H4 | 178.5° | 180.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 119.9° |
| C1 | C2 | C3 | H4 | 1.2° | 0.3° |
| C1 | C2 | CG2 | H23 | 1.6° | 0.0° |
| O | C8 | N2 | N | 179.4° | 180.0° |
| O | C8 | N2 | C9 | 5.8° | 0.0° |
| O | C8 | N | CA | 2.1° | 0.0° |
| O | C8 | N | H9 | 177.9° | 180.0° |
| O | C8 | N2 | H10 | 174.2° | 180.0° |
| C8 | N2 | C9 | H10 | 180.0° | 179.9° |
| N2 | C8 | N | CA | 178.6° | 180.0° |
| C8 | N2 | C9 | C14 | 77.7° | 85.0° |
| N2 | C8 | N | H9 | 1.4° | 0.1° |
| C8 | N2 | C9 | H11 | 178.6° | 35.0° |
| N | C8 | N2 | C9 | 173.6° | 179.9° |
| C8 | N | CA | H9 | 180.0° | 179.9° |
| C8 | N | CA | H7 | 139.8° | 60.0° |
| C8 | N | CA | H8 | 104.0° | 59.9° |
| N | C8 | N2 | H10 | 6.4° | 0.0° |
| N2 | C9 | C14 | H11 | 104.6° | 120.0° |
| N2 | C9 | C14 | O2 | 97.6° | 0.0° |
| N2 | C9 | C14 | N3 | 86.7° | 180.0° |
| N2 | C9 | C10 | H12 | 7.2° | 175.3° |
| N2 | C9 | C10 | H13 | 128.8° | 55.3° |
| N | CA | H7 | H8 | 113.5° | 120.0° |
| C9 | C14 | O2 | N3 | 174.5° | 180.0° |
| C9 | C14 | N3 | O3 | 166.3° | 180.0° |
| C14 | C9 | N2 | H10 | 102.3° | 95.1° |
| C14 | C9 | C10 | H12 | 141.6° | 55.3° |
| C14 | C9 | C10 | H13 | 20.0° | 64.7° |
| C9 | C14 | N3 | H21 | 13.7° | 0.0° |
| O2 | C14 | N3 | O3 | 9.0° | 0.0° |
| O2 | C14 | C9 | H11 | 157.8° | 120.0° |
| O2 | C14 | N3 | H21 | 171.0° | 180.0° |
| C14 | N3 | O3 | H21 | 180.0° | 180.0° |
| N3 | C14 | C9 | H11 | 17.9° | 60.0° |
| C14 | N3 | O3 | H22 | 3.6° | 180.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H4 | C3 | CD1 | H5 | 1.5° | 0.0° |
| H5 | CD1 | CG1 | H6 | 1.2° | 0.0° |
| H7 | CA | N | H9 | 40.2° | 120.1° |
| H8 | CA | N | H9 | 75.9° | 120.0° |
| H10 | N2 | C9 | H11 | 1.4° | 144.9° |
| H11 | C9 | C10 | H12 | 111.9° | 64.7° |
| H11 | C9 | C10 | H13 | 126.5° | 175.3° |
| H12 | C10 | C11 | H14 | 161.1° | 174.2° |
| H13 | C10 | C11 | H14 | 77.3° | 65.9° |
| H14 | C11 | C12 | H15 | 60.1° | 180.0° |
| H14 | C11 | C12 | H16 | 59.9° | 59.9° |
| H14 | C11 | C12 | H17 | 179.9° | 60.0° |
| H14 | C11 | C13 | H18 | 60.4° | 59.7° |
| H14 | C11 | C13 | H19 | 179.6° | 60.3° |
| H14 | C11 | C13 | H20 | 59.6° | 179.6° |
| H15 | C12 | H16 | H17 | 120.0° | 120.0° |
| H18 | C13 | H19 | H20 | 120.0° | 120.0° |
| H21 | N3 | O3 | H22 | 176.4° | 0.0° |
