00K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | CA | sing | 1.53Å | 1.53Å | |
| C | H40 | sing | 1.09Å | 1.10Å | |
| N | HN | sing | 0.97Å | 1.00Å | |
| O | C | sing | 1.43Å | 1.31Å | |
| O | HO | sing | 0.97Å | 0.95Å | |
| C1 | N2 | sing | 1.47Å | 1.52Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| N1 | N2 | sing | 1.37Å | 1.44Å | |
| N1 | C4 | sing | 1.47Å | 1.48Å | |
| C2 | C1 | sing | 1.55Å | 1.51Å | |
| C2 | C3 | sing | 1.55Å | 1.59Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| N2 | C7 | sing | 1.35Å | 1.31Å | |
| O2 | C8 | doub | 1.21Å | 1.30Å | |
| C3 | N1 | sing | 1.48Å | 1.47Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| N3 | HN3 | sing | 1.01Å | 1.00Å | |
| N3 | HN3A | sing | 1.01Å | 1.00Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.52Å | 1.53Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C6 | N3 | sing | 1.47Å | 1.47Å | |
| C6 | C9 | sing | 1.53Å | 1.54Å | |
| C7 | O1 | doub | 1.21Å | 1.27Å | |
| C7 | C6 | sing | 1.50Å | 1.52Å | |
| C8 | N | sing | 1.35Å | 1.39Å | |
| C8 | C1 | sing | 1.51Å | 1.50Å | |
| C9 | C10 | sing | 1.51Å | 1.49Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| CA | N | sing | 1.47Å | 1.45Å | |
| CA | CB | sing | 1.53Å | 1.51Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | CG | sing | 1.53Å | 1.47Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CD | CE | sing | 1.53Å | 1.51Å | |
| CD | HD | sing | 1.09Å | 1.10Å | |
| CD | HDA | sing | 1.09Å | 1.10Å | |
| CE | NZ | sing | 1.47Å | 1.45Å | |
| CE | HE | sing | 1.09Å | 1.10Å | |
| CG | CD | sing | 1.53Å | 1.50Å | |
| CG | HG | sing | 1.09Å | 1.10Å | |
| CX | C | sing | 1.51Å | 1.52Å | |
| CX | OX | doub | 1.21Å | 1.19Å | |
| NX | CX | sing | 1.35Å | 1.31Å | |
| NX | HNX | sing | 0.97Å | 1.00Å | |
| NZ | HNZ | sing | 1.01Å | 1.00Å | |
| C10 | C15 | doub | 1.38Å | 1.42Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.43Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | C13 | doub | 1.38Å | 1.41Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | C14 | sing | 1.38Å | 1.41Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C1X | NX | sing | 1.47Å | 1.46Å | |
| C1X | H1X | sing | 1.09Å | 1.10Å | |
| C2X | C1X | sing | 1.53Å | 1.52Å | |
| C2X | H2X | sing | 1.09Å | 1.10Å | |
| C2X | H2XA | sing | 1.09Å | 1.10Å | |
| C3X | C2X | sing | 1.53Å | 1.53Å | |
| C3X | H3X | sing | 1.09Å | 1.10Å | |
| C3X | H3XA | sing | 1.09Å | 1.10Å | |
| C4X | C3X | sing | 1.53Å | 1.53Å | |
| C4X | C5X | sing | 1.53Å | 1.51Å | |
| C4X | H4X | sing | 1.09Å | 1.10Å | |
| C4X | H4XA | sing | 1.09Å | 1.10Å | |
| C5X | C6X | sing | 1.53Å | 1.52Å | |
| C5X | H5X | sing | 1.09Å | 1.10Å | |
| C5X | H5XA | sing | 1.09Å | 1.10Å | |
| C6X | C1X | sing | 1.53Å | 1.51Å | |
| C6X | H6X | sing | 1.09Å | 1.10Å | |
| C6X | H6XA | sing | 1.09Å | 1.10Å | |
| CB | H41 | sing | 1.09Å | 1.10Å | |
| CE | H42 | sing | 1.09Å | 1.10Å | |
| CG | H43 | sing | 1.09Å | 1.10Å | |
| NZ | H44 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | C | H40 | 96.0° | 109.5° |
| CA | C | O | 120.2° | 109.4° |
| C | CA | N | 123.2° | 109.4° |
| C | CA | CB | 105.1° | 109.5° |
| C | CA | HA | 105.2° | 109.5° |
| CA | C | CX | 113.6° | 109.5° |
| H40 | C | O | 110.8° | 109.5° |
| H40 | C | CX | 117.8° | 109.5° |
| HN | N | C8 | 114.5° | 120.0° |
| HN | N | CA | 114.5° | 120.0° |
| C | O | HO | 109.5° | 114.0° |
| O | C | CX | 99.7° | 109.5° |
| N2 | C1 | H1 | 118.5° | 110.3° |
| C1 | N2 | N1 | 111.0° | 109.5° |
| N2 | C1 | C2 | 100.9° | 105.4° |
| C1 | N2 | C7 | 121.4° | 125.6° |
| N2 | C1 | C8 | 96.4° | 110.2° |
| H1 | C1 | C2 | 117.9° | 110.3° |
| H1 | C1 | C8 | 121.4° | 110.2° |
| N2 | N1 | C4 | 117.0° | 109.5° |
| N1 | N2 | C7 | 125.7° | 124.9° |
| N2 | N1 | C3 | 104.4° | 106.9° |
| C4 | N1 | C3 | 117.1° | 110.7° |
| N1 | C4 | C5 | 110.7° | 108.9° |
| N1 | C4 | H4 | 109.0° | 109.5° |
| N1 | C4 | H4A | 109.1° | 109.6° |
| C1 | C2 | C3 | 101.6° | 101.2° |
| C1 | C2 | H2 | 112.2° | 111.1° |
| C1 | C2 | H2A | 112.2° | 111.1° |
| C2 | C1 | C8 | 97.2° | 110.3° |
| C3 | C2 | H2 | 112.2° | 111.1° |
| C3 | C2 | H2A | 112.2° | 111.1° |
| C2 | C3 | N1 | 99.5° | 101.6° |
| C2 | C3 | H3 | 112.9° | 111.0° |
| C2 | C3 | H3A | 113.0° | 111.0° |
| H2 | C2 | H2A | 106.6° | 111.0° |
| N2 | C7 | O1 | 120.7° | 119.1° |
| N2 | C7 | C6 | 119.7° | 121.8° |
| O2 | C8 | N | 113.3° | 120.0° |
| O2 | C8 | C1 | 123.0° | 120.0° |
| N1 | C3 | H3 | 112.9° | 111.0° |
| N1 | C3 | H3A | 112.9° | 111.0° |
| H3 | C3 | H3A | 105.8° | 110.9° |
| HN3 | N3 | HN3A | 109.4° | 111.0° |
| HN3 | N3 | C6 | 109.5° | 111.0° |
| HN3A | N3 | C6 | 109.5° | 111.0° |
| C5 | C4 | H4 | 109.1° | 109.6° |
| C5 | C4 | H4A | 109.1° | 109.5° |
| C4 | C5 | C6 | 111.9° | 110.7° |
| C4 | C5 | H5 | 108.7° | 109.2° |
| C4 | C5 | H5A | 108.7° | 109.2° |
| H4 | C4 | H4A | 109.9° | 109.6° |
| C6 | C5 | H5 | 108.7° | 109.2° |
| C6 | C5 | H5A | 108.7° | 109.2° |
| C5 | C6 | N3 | 115.8° | 109.1° |
| C5 | C6 | C9 | 115.7° | 109.0° |
| C5 | C6 | C7 | 114.9° | 111.7° |
| H5 | C5 | H5A | 110.3° | 109.2° |
| N3 | C6 | C9 | 93.5° | 109.0° |
| N3 | C6 | C7 | 98.4° | 109.1° |
| C9 | C6 | C7 | 115.3° | 109.0° |
| C6 | C9 | C10 | 113.7° | 109.4° |
| C6 | C9 | H9 | 108.1° | 109.5° |
| C6 | C9 | H9A | 108.1° | 109.5° |
| O1 | C7 | C6 | 118.0° | 119.1° |
| N | C8 | C1 | 123.6° | 120.0° |
| C8 | N | CA | 131.0° | 120.0° |
| C10 | C9 | H9 | 108.1° | 109.5° |
| C10 | C9 | H9A | 108.1° | 109.4° |
| C9 | C10 | C15 | 119.6° | 120.0° |
| C9 | C10 | C11 | 120.5° | 120.0° |
| H9 | C9 | H9A | 110.8° | 109.5° |
| N | CA | CB | 115.2° | 109.5° |
| N | CA | HA | 92.1° | 109.5° |
| CB | CA | HA | 115.4° | 109.5° |
| CA | CB | CG | 116.5° | 109.4° |
| CA | CB | HB | 107.2° | 109.5° |
| CA | CB | H41 | 107.2° | 109.4° |
| CG | CB | HB | 107.2° | 109.5° |
| CB | CG | CD | 115.3° | 109.5° |
| CB | CG | HG | 107.6° | 109.5° |
| CG | CB | H41 | 107.2° | 109.5° |
| CB | CG | H43 | 107.6° | 109.5° |
| HB | CB | H41 | 111.6° | 109.5° |
| CE | CD | HD | 108.9° | 109.5° |
| CE | CD | HDA | 108.9° | 109.5° |
| CD | CE | NZ | 116.5° | 109.5° |
| CD | CE | HE | 107.2° | 109.5° |
| CE | CD | CG | 111.1° | 109.5° |
| CD | CE | H42 | 107.2° | 109.5° |
| HD | CD | HDA | 110.0° | 109.5° |
| HD | CD | CG | 108.9° | 109.5° |
| HDA | CD | CG | 108.9° | 109.4° |
| NZ | CE | HE | 107.2° | 109.5° |
| CE | NZ | HNZ | 109.5° | 111.0° |
| NZ | CE | H42 | 107.2° | 109.5° |
| CE | NZ | H44 | 109.5° | 111.0° |
| HE | CE | H42 | 111.6° | 109.5° |
| CD | CG | HG | 107.6° | 109.4° |
| CD | CG | H43 | 107.6° | 109.5° |
| HG | CG | H43 | 111.3° | 109.5° |
| C | CX | OX | 108.6° | 120.0° |
| C | CX | NX | 121.7° | 119.9° |
| OX | CX | NX | 128.5° | 120.0° |
| CX | NX | HNX | 119.9° | 120.1° |
| CX | NX | C1X | 120.2° | 120.0° |
| HNX | NX | C1X | 119.9° | 120.0° |
| HNZ | NZ | H44 | 109.4° | 111.0° |
| C15 | C10 | C11 | 119.7° | 119.9° |
| C10 | C15 | C14 | 120.3° | 120.1° |
| C10 | C15 | H15 | 119.8° | 119.9° |
| C10 | C11 | C12 | 118.8° | 120.0° |
| C10 | C11 | H11 | 120.6° | 120.0° |
| C12 | C11 | H11 | 120.6° | 120.0° |
| C11 | C12 | C13 | 122.8° | 120.0° |
| C11 | C12 | H12 | 118.6° | 120.0° |
| C13 | C12 | H12 | 118.6° | 119.9° |
| C12 | C13 | H13 | 121.3° | 120.0° |
| C12 | C13 | C14 | 117.4° | 119.9° |
| H13 | C13 | C14 | 121.3° | 120.0° |
| C13 | C14 | H14 | 119.6° | 119.9° |
| C13 | C14 | C15 | 120.9° | 120.0° |
| H14 | C14 | C15 | 119.6° | 120.1° |
| C14 | C15 | H15 | 119.8° | 120.0° |
| NX | C1X | H1X | 99.8° | 109.4° |
| NX | C1X | C2X | 117.5° | 109.5° |
| NX | C1X | C6X | 115.1° | 109.4° |
| H1X | C1X | C2X | 102.6° | 109.5° |
| H1X | C1X | C6X | 106.0° | 109.5° |
| C1X | C2X | H2X | 109.0° | 109.5° |
| C1X | C2X | H2XA | 109.0° | 109.5° |
| C1X | C2X | C3X | 110.8° | 109.5° |
| C2X | C1X | C6X | 113.1° | 109.5° |
| H2X | C2X | H2XA | 109.9° | 109.4° |
| H2X | C2X | C3X | 109.0° | 109.5° |
| H2XA | C2X | C3X | 109.0° | 109.5° |
| C2X | C3X | H3X | 108.7° | 109.5° |
| C2X | C3X | H3XA | 108.7° | 109.5° |
| C2X | C3X | C4X | 111.8° | 109.5° |
| H3X | C3X | H3XA | 110.2° | 109.5° |
| H3X | C3X | C4X | 108.7° | 109.4° |
| H3XA | C3X | C4X | 108.7° | 109.4° |
| C3X | C4X | C5X | 109.9° | 109.4° |
| C3X | C4X | H4X | 109.4° | 109.5° |
| C3X | C4X | H4XA | 109.3° | 109.5° |
| C5X | C4X | H4X | 109.3° | 109.5° |
| C5X | C4X | H4XA | 109.3° | 109.5° |
| C4X | C5X | C6X | 110.7° | 109.5° |
| C4X | C5X | H5X | 109.1° | 109.5° |
| C4X | C5X | H5XA | 109.0° | 109.4° |
| H4X | C4X | H4XA | 109.6° | 109.5° |
| C6X | C5X | H5X | 109.1° | 109.5° |
| C6X | C5X | H5XA | 109.1° | 109.5° |
| C5X | C6X | C1X | 110.1° | 109.4° |
| C5X | C6X | H6X | 109.3° | 109.5° |
| C5X | C6X | H6XA | 109.2° | 109.4° |
| H5X | C5X | H5XA | 109.9° | 109.4° |
| C1X | C6X | H6X | 109.3° | 109.5° |
| C1X | C6X | H6XA | 109.3° | 109.5° |
| H6X | C6X | H6XA | 109.7° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | C | H40 | O | 125.5° | 120.0° |
| CA | C | H40 | CX | 120.7° | 120.0° |
| C | CA | N | HN | 83.9° | 25.1° |
| CA | C | O | CX | 124.7° | 120.0° |
| CA | C | O | HO | 180.0° | 60.0° |
| C | CA | N | C8 | 96.1° | 155.0° |
| C | CA | N | CB | 130.7° | 120.0° |
| C | CA | N | HA | 109.8° | 120.0° |
| C | CA | CB | HA | 115.5° | 120.0° |
| C | CA | CB | CG | 173.7° | 175.0° |
| C | CA | CB | HB | 66.3° | 65.0° |
| CA | C | CX | OX | 85.7° | 115.0° |
| CA | C | CX | NX | 105.8° | 65.0° |
| C | CA | CB | H41 | 53.7° | 55.1° |
| H40 | C | O | CX | 124.8° | 120.0° |
| H40 | C | O | HO | 69.4° | 180.0° |
| H40 | C | CA | N | 53.1° | 55.0° |
| H40 | C | CA | CB | 81.6° | 175.0° |
| H40 | C | CA | HA | 156.1° | 65.0° |
| H40 | C | CX | OX | 25.3° | 125.0° |
| H40 | C | CX | NX | 143.1° | 55.0° |
| HN | N | C8 | O2 | 177.5° | 179.9° |
| HN | N | C8 | CA | 180.0° | 179.9° |
| HN | N | C8 | C1 | 5.4° | 0.1° |
| HN | N | CA | CB | 46.8° | 94.9° |
| HN | N | CA | HA | 166.3° | 145.1° |
| O | C | CA | N | 171.5° | 65.0° |
| O | C | CA | CB | 36.7° | 55.0° |
| O | C | CA | HA | 85.6° | 175.0° |
| O | C | CX | OX | 145.1° | 5.0° |
| O | C | CX | NX | 23.3° | 175.0° |
| HO | O | C | CX | 55.4° | 60.0° |
| N2 | C1 | H1 | C2 | 122.1° | 116.0° |
| N2 | C1 | H1 | C8 | 118.6° | 121.9° |
| C1 | N2 | N1 | C7 | 164.1° | 179.3° |
| C1 | N2 | N1 | C4 | 152.1° | 148.4° |
| N2 | C1 | C2 | C8 | 98.0° | 119.0° |
| N2 | C1 | C2 | C3 | 34.0° | 19.1° |
| N2 | C1 | C2 | H2 | 86.0° | 98.9° |
| N2 | C1 | C2 | H2A | 154.0° | 137.0° |
| N2 | C1 | C8 | O2 | 48.1° | 0.1° |
| C1 | N2 | N1 | C3 | 20.8° | 28.3° |
| C1 | N2 | C7 | O1 | 27.8° | 2.4° |
| C1 | N2 | C7 | C6 | 166.8° | 177.7° |
| N2 | C1 | C8 | N | 135.0° | 179.9° |
| H1 | C1 | N2 | N1 | 120.3° | 123.7° |
| H1 | C1 | C2 | C8 | 131.4° | 122.0° |
| H1 | C1 | C2 | C3 | 96.7° | 100.0° |
| H1 | C1 | C2 | H2 | 143.3° | 142.0° |
| H1 | C1 | C2 | H2A | 23.3° | 18.0° |
| H1 | C1 | N2 | C7 | 44.7° | 55.6° |
| H1 | C1 | C8 | O2 | 177.2° | 121.9° |
| H1 | C1 | C8 | N | 5.9° | 58.1° |
| N2 | N1 | C4 | C3 | 125.1° | 117.7° |
| N1 | N2 | C1 | C2 | 10.0° | 4.7° |
| N2 | N1 | C3 | C2 | 40.7° | 39.6° |
| N2 | N1 | C3 | H3 | 160.7° | 78.5° |
| N2 | N1 | C3 | H3A | 79.3° | 157.7° |
| N2 | N1 | C4 | C5 | 39.5° | 59.8° |
| N2 | N1 | C4 | H4 | 159.5° | 179.6° |
| N2 | N1 | C4 | H4A | 80.5° | 60.0° |
| N1 | N2 | C7 | O1 | 169.6° | 178.4° |
| N1 | N2 | C7 | C6 | 4.2° | 1.5° |
| N1 | N2 | C1 | C8 | 108.7° | 114.4° |
| C4 | N1 | C3 | C2 | 171.9° | 158.9° |
| C4 | N1 | N2 | C7 | 12.0° | 30.9° |
| C4 | N1 | C3 | H3 | 68.1° | 40.8° |
| C4 | N1 | C3 | H3A | 51.9° | 83.1° |
| N1 | C4 | C5 | H4 | 120.0° | 119.8° |
| N1 | C4 | C5 | H4A | 120.0° | 119.9° |
| N1 | C4 | H4 | H4A | 119.5° | 120.3° |
| N1 | C4 | C5 | C6 | 51.5° | 61.8° |
| N1 | C4 | C5 | H5 | 68.5° | 58.5° |
| N1 | C4 | C5 | H5A | 171.5° | 177.9° |
| C1 | C2 | C3 | H2 | 120.0° | 118.0° |
| C1 | C2 | C3 | H2A | 120.0° | 118.0° |
| C1 | C2 | H2 | H2A | 123.2° | 124.1° |
| C2 | C1 | N2 | C7 | 174.9° | 174.6° |
| C2 | C1 | C8 | O2 | 53.8° | 116.1° |
| C1 | C2 | C3 | N1 | 47.3° | 34.3° |
| C1 | C2 | C3 | H3 | 167.3° | 83.7° |
| C1 | C2 | C3 | H3A | 72.7° | 152.3° |
| C2 | C1 | C8 | N | 123.1° | 63.9° |
| C3 | C2 | H2 | H2A | 123.2° | 124.1° |
| C2 | C3 | N1 | H3 | 120.0° | 118.1° |
| C2 | C3 | N1 | H3A | 120.0° | 118.1° |
| C2 | C3 | H3 | H3A | 124.0° | 123.9° |
| C3 | C2 | C1 | C8 | 132.0° | 138.1° |
| H2 | C2 | C3 | N1 | 72.7° | 83.6° |
| H2 | C2 | C3 | H3 | 47.2° | 158.3° |
| H2 | C2 | C3 | H3A | 167.2° | 34.4° |
| H2 | C2 | C1 | C8 | 12.0° | 20.1° |
| H2A | C2 | C3 | N1 | 167.3° | 152.3° |
| H2A | C2 | C3 | H3 | 72.7° | 34.2° |
| H2A | C2 | C3 | H3A | 47.3° | 89.7° |
| H2A | C2 | C1 | C8 | 108.0° | 104.0° |
| C7 | N2 | N1 | C3 | 143.3° | 151.0° |
| N2 | C7 | C6 | C5 | 9.8° | 2.5° |
| N2 | C7 | C6 | N3 | 133.5° | 123.1° |
| N2 | C7 | C6 | C9 | 128.6° | 118.0° |
| N2 | C7 | O1 | C6 | 165.7° | 180.0° |
| C7 | N2 | C1 | C8 | 86.4° | 66.3° |
| O2 | C8 | N | C1 | 177.1° | 180.0° |
| O2 | C8 | N | CA | 2.5° | 0.0° |
| N1 | C3 | H3 | H3A | 124.0° | 123.9° |
| C3 | N1 | C4 | C5 | 164.6° | 177.5° |
| C3 | N1 | C4 | H4 | 75.4° | 62.7° |
| C3 | N1 | C4 | H4A | 44.7° | 57.6° |
| HN3 | N3 | HN3A | C6 | 120.0° | 123.9° |
| HN3 | N3 | C6 | C5 | 180.0° | 180.0° |
| HN3 | N3 | C6 | C9 | 59.2° | 61.1° |
| HN3 | N3 | C6 | C7 | 57.0° | 57.8° |
| HN3A | N3 | C6 | C5 | 60.0° | 56.1° |
| HN3A | N3 | C6 | C9 | 179.2° | 175.0° |
| HN3A | N3 | C6 | C7 | 63.0° | 66.1° |
| C5 | C4 | H4 | H4A | 119.5° | 120.3° |
| C4 | C5 | C6 | H5 | 120.0° | 120.3° |
| C4 | C5 | C6 | H5A | 120.0° | 120.3° |
| C4 | C5 | H5 | H5A | 119.0° | 119.4° |
| C4 | C5 | C6 | N3 | 151.1° | 152.5° |
| C4 | C5 | C6 | C9 | 100.9° | 88.6° |
| C4 | C5 | C6 | C7 | 37.3° | 31.9° |
| H4 | C4 | C5 | C6 | 171.5° | 178.4° |
| H4 | C4 | C5 | H5 | 51.5° | 61.3° |
| H4 | C4 | C5 | H5A | 68.5° | 58.0° |
| H4A | C4 | C5 | C6 | 68.5° | 58.1° |
| H4A | C4 | C5 | H5 | 171.6° | 178.3° |
| H4A | C4 | C5 | H5A | 51.5° | 62.3° |
| C6 | C5 | H5 | H5A | 119.0° | 119.4° |
| C5 | C6 | N3 | C9 | 120.8° | 118.9° |
| C5 | C6 | N3 | C7 | 123.0° | 122.2° |
| C5 | C6 | C9 | C7 | 138.0° | 122.1° |
| C5 | C6 | C7 | O1 | 156.0° | 177.5° |
| C5 | C6 | C9 | C10 | 63.1° | 175.0° |
| C5 | C6 | C9 | H9 | 176.9° | 55.0° |
| C5 | C6 | C9 | H9A | 56.9° | 65.1° |
| H5 | C5 | C6 | N3 | 31.1° | 32.2° |
| H5 | C5 | C6 | C9 | 139.1° | 151.1° |
| H5 | C5 | C6 | C7 | 82.7° | 88.4° |
| H5A | C5 | C6 | N3 | 88.9° | 87.2° |
| H5A | C5 | C6 | C9 | 19.0° | 31.7° |
| H5A | C5 | C6 | C7 | 157.2° | 152.2° |
| N3 | C6 | C9 | C7 | 101.1° | 119.0° |
| N3 | C6 | C7 | O1 | 32.4° | 56.9° |
| N3 | C6 | C9 | C10 | 176.0° | 56.1° |
| N3 | C6 | C9 | H9 | 56.0° | 63.9° |
| N3 | C6 | C9 | H9A | 64.0° | 176.0° |
| C9 | C6 | C7 | O1 | 65.6° | 62.0° |
| C6 | C9 | C10 | H9 | 120.0° | 120.0° |
| C6 | C9 | C10 | H9A | 120.0° | 119.9° |
| C6 | C9 | H9 | H9A | 118.3° | 120.0° |
| C6 | C9 | C10 | C15 | 93.7° | 90.0° |
| C6 | C9 | C10 | C11 | 82.2° | 89.7° |
| C7 | C6 | C9 | C10 | 75.0° | 62.9° |
| C7 | C6 | C9 | H9 | 45.0° | 177.1° |
| C7 | C6 | C9 | H9A | 165.0° | 57.0° |
| C8 | N | CA | CB | 133.2° | 85.0° |
| C8 | N | CA | HA | 13.7° | 35.0° |
| C1 | C8 | N | CA | 174.6° | 180.0° |
| C10 | C9 | H9 | H9A | 118.3° | 120.0° |
| C9 | C10 | C15 | C11 | 176.0° | 179.7° |
| C9 | C10 | C11 | C12 | 174.0° | 180.0° |
| C9 | C10 | C11 | H11 | 6.0° | 0.0° |
| C9 | C10 | C15 | C14 | 175.5° | 179.8° |
| C9 | C10 | C15 | H15 | 4.5° | 0.1° |
| H9 | C9 | C10 | C15 | 146.2° | 30.0° |
| H9 | C9 | C10 | C11 | 37.8° | 150.3° |
| H9A | C9 | C10 | C15 | 26.3° | 150.0° |
| H9A | C9 | C10 | C11 | 157.8° | 30.2° |
| N | CA | CB | HA | 105.6° | 120.0° |
| N | CA | CB | CG | 47.4° | 65.0° |
| N | CA | CB | HB | 72.6° | 55.0° |
| N | CA | C | CX | 70.7° | 175.0° |
| N | CA | CB | H41 | 167.4° | 175.0° |
| CA | CB | CG | HB | 120.0° | 120.0° |
| CA | CB | CG | H41 | 120.0° | 119.9° |
| CA | CB | HB | H41 | 117.1° | 120.0° |
| CA | CB | CG | CD | 179.0° | 180.0° |
| CA | CB | CG | HG | 59.0° | 60.0° |
| CB | CA | C | CX | 154.6° | 65.0° |
| CA | CB | CG | H43 | 61.0° | 60.0° |
| HA | CA | CB | CG | 58.2° | 55.0° |
| HA | CA | CB | HB | 178.2° | 175.0° |
| HA | CA | C | CX | 32.2° | 55.1° |
| HA | CA | CB | H41 | 61.8° | 65.0° |
| CG | CB | HB | H41 | 117.1° | 120.0° |
| CB | CG | CD | CE | 167.1° | 180.0° |
| CB | CG | CD | HD | 47.1° | 60.0° |
| CB | CG | CD | HDA | 73.0° | 60.0° |
| CB | CG | CD | HG | 120.0° | 120.0° |
| CB | CG | CD | H43 | 120.0° | 120.0° |
| CB | CG | HG | H43 | 117.6° | 120.0° |
| HB | CB | CG | CD | 61.0° | 60.0° |
| HB | CB | CG | HG | 179.0° | 180.0° |
| HB | CB | CG | H43 | 59.0° | 60.0° |
| CE | CD | HD | HDA | 119.3° | 120.0° |
| CE | CD | HD | CG | 121.3° | 120.0° |
| CE | CD | HDA | CG | 121.3° | 120.0° |
| CD | CE | NZ | HE | 120.0° | 120.0° |
| CD | CE | NZ | H42 | 120.0° | 120.0° |
| CD | CE | HE | H42 | 117.1° | 120.0° |
| CE | CD | CG | HG | 47.1° | 60.0° |
| CD | CE | NZ | HNZ | 180.0° | 56.1° |
| CE | CD | CG | H43 | 72.9° | 60.0° |
| CD | CE | NZ | H44 | 60.0° | 180.0° |
| HD | CD | HDA | CG | 119.4° | 120.0° |
| HD | CD | CE | NZ | 69.6° | 60.0° |
| HD | CD | CE | HE | 50.4° | 60.0° |
| HD | CD | CG | HG | 72.9° | 60.0° |
| HD | CD | CE | H42 | 170.3° | 180.0° |
| HD | CD | CG | H43 | 167.1° | 180.0° |
| HDA | CD | CE | NZ | 50.4° | 60.0° |
| HDA | CD | CE | HE | 170.4° | 180.0° |
| HDA | CD | CG | HG | 167.1° | 180.0° |
| HDA | CD | CE | H42 | 69.6° | 60.0° |
| HDA | CD | CG | H43 | 47.1° | 60.0° |
| NZ | CE | HE | H42 | 117.1° | 120.0° |
| NZ | CE | CD | CG | 170.4° | 180.0° |
| CE | NZ | HNZ | H44 | 120.0° | 124.0° |
| HE | CE | CD | CG | 69.6° | 60.0° |
| HE | CE | NZ | HNZ | 60.0° | 63.9° |
| HE | CE | NZ | H44 | 180.0° | 60.0° |
| CD | CG | HG | H43 | 117.6° | 120.0° |
| CD | CG | CB | H41 | 59.0° | 60.0° |
| CG | CD | CE | H42 | 50.4° | 60.0° |
| HG | CG | CB | H41 | 61.0° | 59.9° |
| C | CX | OX | NX | 167.5° | 180.0° |
| C | CX | NX | HNX | 2.5° | 0.0° |
| C | CX | NX | C1X | 177.5° | 180.0° |
| OX | CX | NX | HNX | 168.5° | 180.0° |
| OX | CX | NX | C1X | 11.5° | 0.0° |
| CX | NX | HNX | C1X | 180.0° | 180.0° |
| CX | NX | C1X | H1X | 15.0° | 35.0° |
| CX | NX | C1X | C2X | 94.9° | 155.0° |
| CX | NX | C1X | C6X | 127.9° | 85.0° |
| HNX | NX | C1X | H1X | 165.0° | 145.0° |
| HNX | NX | C1X | C2X | 85.1° | 25.0° |
| HNX | NX | C1X | C6X | 52.1° | 95.0° |
| HNZ | NZ | CE | H42 | 59.9° | 176.1° |
| C15 | C10 | C11 | C12 | 1.9° | 0.3° |
| C15 | C10 | C11 | H11 | 178.1° | 179.7° |
| C10 | C15 | C14 | C13 | 2.8° | 0.5° |
| C10 | C15 | C14 | H14 | 177.2° | 179.8° |
| C10 | C15 | C14 | H15 | 180.0° | 179.8° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.0° | 0.0° |
| C10 | C11 | C12 | H12 | 180.0° | 179.9° |
| C11 | C10 | C15 | C14 | 0.5° | 0.5° |
| C11 | C10 | C15 | H15 | 179.5° | 179.7° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C11 | C12 | C13 | H13 | 176.8° | 180.0° |
| C11 | C12 | C13 | C14 | 3.2° | 0.0° |
| H11 | C11 | C12 | C13 | 180.0° | 180.0° |
| H11 | C11 | C12 | H12 | 0.0° | 0.1° |
| C12 | C13 | H13 | C14 | 180.0° | 180.0° |
| C12 | C13 | C14 | H14 | 175.5° | 180.0° |
| C12 | C13 | C14 | C15 | 4.6° | 0.2° |
| H12 | C12 | C13 | H13 | 3.2° | 0.1° |
| H12 | C12 | C13 | C14 | 176.8° | 179.9° |
| H13 | C13 | C14 | H14 | 4.6° | 0.0° |
| H13 | C13 | C14 | C15 | 175.4° | 179.8° |
| C13 | C14 | H14 | C15 | 180.0° | 179.8° |
| C13 | C14 | C15 | H15 | 177.2° | 179.7° |
| H14 | C14 | C15 | H15 | 2.8° | 0.1° |
| NX | C1X | H1X | C2X | 121.3° | 120.0° |
| NX | C1X | H1X | C6X | 119.9° | 119.9° |
| NX | C1X | C2X | C6X | 138.0° | 120.0° |
| NX | C1X | C2X | H2X | 154.8° | 60.0° |
| NX | C1X | C2X | H2XA | 34.7° | 59.9° |
| NX | C1X | C2X | C3X | 85.2° | 180.0° |
| NX | C1X | C6X | C5X | 83.8° | 180.0° |
| NX | C1X | C6X | H6X | 156.2° | 60.0° |
| NX | C1X | C6X | H6XA | 36.1° | 60.1° |
| H1X | C1X | C2X | C6X | 113.7° | 120.1° |
| H1X | C1X | C2X | H2X | 46.5° | 60.0° |
| H1X | C1X | C2X | H2XA | 73.6° | 179.9° |
| H1X | C1X | C2X | C3X | 166.5° | 60.0° |
| H1X | C1X | C6X | C5X | 166.9° | 60.1° |
| H1X | C1X | C6X | H6X | 46.9° | 180.0° |
| H1X | C1X | C6X | H6XA | 73.2° | 59.9° |
| C1X | C2X | H2X | H2XA | 119.5° | 120.0° |
| C1X | C2X | H2X | C3X | 121.1° | 120.0° |
| C1X | C2X | H2XA | C3X | 121.1° | 120.0° |
| C1X | C2X | C3X | H3X | 173.0° | 59.9° |
| C1X | C2X | C3X | H3XA | 67.0° | 180.0° |
| C1X | C2X | C3X | C4X | 53.0° | 60.0° |
| C2X | C1X | C6X | C5X | 55.2° | 60.0° |
| C2X | C1X | C6X | H6X | 64.8° | 59.9° |
| C2X | C1X | C6X | H6XA | 175.2° | 180.0° |
| H2X | C2X | H2XA | C3X | 119.5° | 120.0° |
| H2X | C2X | C3X | H3X | 53.0° | 60.1° |
| H2X | C2X | C3X | H3XA | 173.0° | 60.0° |
| H2X | C2X | C3X | C4X | 67.0° | 180.0° |
| H2X | C2X | C1X | C6X | 67.2° | 179.9° |
| H2XA | C2X | C3X | H3X | 67.0° | 180.0° |
| H2XA | C2X | C3X | H3XA | 53.0° | 60.0° |
| H2XA | C2X | C3X | C4X | 173.0° | 60.0° |
| H2XA | C2X | C1X | C6X | 172.8° | 60.0° |
| C2X | C3X | H3X | H3XA | 119.1° | 120.1° |
| C2X | C3X | H3X | C4X | 121.9° | 120.0° |
| C2X | C3X | H3XA | C4X | 121.9° | 120.0° |
| C2X | C3X | C4X | C5X | 56.6° | 60.0° |
| C2X | C3X | C4X | H4X | 63.4° | 180.0° |
| C2X | C3X | C4X | H4XA | 176.6° | 60.0° |
| C3X | C2X | C1X | C6X | 52.8° | 60.1° |
| H3X | C3X | H3XA | C4X | 119.1° | 119.9° |
| H3X | C3X | C4X | C5X | 176.6° | 60.0° |
| H3X | C3X | C4X | H4X | 56.6° | 60.0° |
| H3X | C3X | C4X | H4XA | 63.4° | 180.0° |
| H3XA | C3X | C4X | C5X | 63.4° | 179.9° |
| H3XA | C3X | C4X | H4X | 176.6° | 60.0° |
| H3XA | C3X | C4X | H4XA | 56.6° | 60.0° |
| C3X | C4X | C5X | H4X | 120.0° | 120.0° |
| C3X | C4X | C5X | H4XA | 120.0° | 120.0° |
| C3X | C4X | H4X | H4XA | 119.8° | 120.0° |
| C3X | C4X | C5X | C6X | 59.0° | 60.0° |
| C3X | C4X | C5X | H5X | 179.0° | 60.0° |
| C3X | C4X | C5X | H5XA | 61.0° | 180.0° |
| C5X | C4X | H4X | H4XA | 119.8° | 120.0° |
| C4X | C5X | C6X | H5X | 120.0° | 120.1° |
| C4X | C5X | C6X | H5XA | 120.0° | 119.9° |
| C4X | C5X | H5X | H5XA | 119.5° | 119.9° |
| C4X | C5X | C6X | C1X | 58.1° | 60.0° |
| C4X | C5X | C6X | H6X | 61.9° | 60.0° |
| C4X | C5X | C6X | H6XA | 178.1° | 180.0° |
| H4X | C4X | C5X | C6X | 61.0° | 180.0° |
| H4X | C4X | C5X | H5X | 59.0° | 59.9° |
| H4X | C4X | C5X | H5XA | 178.9° | 60.0° |
| H4XA | C4X | C5X | C6X | 179.0° | 60.0° |
| H4XA | C4X | C5X | H5X | 61.0° | 179.9° |
| H4XA | C4X | C5X | H5XA | 59.0° | 60.0° |
| C6X | C5X | H5X | H5XA | 119.5° | 120.0° |
| C5X | C6X | C1X | H6X | 120.0° | 120.0° |
| C5X | C6X | C1X | H6XA | 120.0° | 119.9° |
| C5X | C6X | H6X | H6XA | 119.7° | 120.0° |
| H5X | C5X | C6X | C1X | 178.1° | 60.0° |
| H5X | C5X | C6X | H6X | 58.1° | 180.0° |
| H5X | C5X | C6X | H6XA | 61.9° | 60.0° |
| H5XA | C5X | C6X | C1X | 61.9° | 180.0° |
| H5XA | C5X | C6X | H6X | 178.1° | 60.0° |
| H5XA | C5X | C6X | H6XA | 58.1° | 60.0° |
| C1X | C6X | H6X | H6XA | 119.8° | 120.1° |
| H41 | CB | CG | H43 | 179.0° | 179.9° |
| H42 | CE | NZ | H44 | 60.0° | 60.0° |
