PRD_002370
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N1 | sing | 1.47Å | 1.51Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | doub | 1.22Å | 1.19Å | |
| C2 | N1 | sing | 1.34Å | 1.49Å | |
| N2 | C3 | sing | 1.46Å | 1.45Å | |
| N2 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | C4 | sing | 1.51Å | 1.57Å | |
| C3 | C5 | sing | 1.53Å | 1.51Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | O2 | doub | 1.21Å | 1.21Å | |
| C5 | C6 | sing | 1.51Å | 1.50Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | O3 | doub | 1.21Å | 1.17Å | |
| N3 | C7 | sing | 1.47Å | 1.50Å | |
| N3 | H8 | sing | 0.97Å | 1.00Å | |
| C7 | C8 | sing | 1.51Å | 1.61Å | |
| C7 | C9 | sing | 1.53Å | 1.60Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | O4 | doub | 1.21Å | 1.16Å | |
| C9 | C10 | sing | 1.51Å | 1.53Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | N4 | sing | 1.34Å | 1.33Å | Aromatic |
| C10 | C11 | doub | 1.35Å | 1.38Å | Aromatic |
| N4 | C12 | doub | 1.30Å | 1.32Å | Aromatic |
| N4 | H12 | sing | 0.97Å | 1.00Å | |
| C11 | N5 | sing | 1.37Å | 1.32Å | Aromatic |
| C11 | H13 | sing | 1.08Å | 1.08Å | |
| C12 | N5 | sing | 1.35Å | 1.32Å | Aromatic |
| C12 | H14 | sing | 1.08Å | 1.08Å | |
| N5 | H15 | sing | 0.97Å | 1.00Å | |
| N6 | C13 | sing | 1.47Å | 1.54Å | |
| N6 | C17 | sing | 1.47Å | 1.35Å | |
| C13 | C14 | sing | 1.51Å | 1.55Å | |
| C13 | C15 | sing | 1.54Å | 1.59Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | O5 | doub | 1.21Å | 1.19Å | |
| C15 | C16 | sing | 1.55Å | 1.31Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.55Å | 1.64Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| N7 | H23 | sing | 0.97Å | 1.00Å | |
| N7 | H24 | sing | 0.97Å | 1.00Å | |
| N1 | C6 | sing | 1.35Å | 1.46Å | |
| C2 | N2 | sing | 1.34Å | 1.51Å | |
| C4 | N3 | sing | 1.35Å | 1.49Å | |
| C8 | N6 | sing | 1.35Å | 1.49Å | |
| C14 | N7 | sing | 1.35Å | 1.43Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C1 | H1 | 109.5° | 109.4° |
| N1 | C1 | H2 | 109.5° | 109.4° |
| N1 | C1 | H3 | 109.4° | 109.4° |
| C1 | N1 | C2 | 119.8° | 119.5° |
| C1 | N1 | C6 | 119.9° | 119.5° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| O1 | C2 | N1 | 120.4° | 119.3° |
| O1 | C2 | N2 | 119.8° | 119.2° |
| C2 | N1 | C6 | 120.3° | 121.1° |
| N1 | C2 | N2 | 119.8° | 121.5° |
| C3 | N2 | H4 | 119.8° | 119.6° |
| N2 | C3 | C4 | 101.5° | 109.5° |
| N2 | C3 | C5 | 120.0° | 109.5° |
| N2 | C3 | H5 | 111.3° | 109.4° |
| C3 | N2 | C2 | 120.3° | 120.9° |
| H4 | N2 | C2 | 119.9° | 119.5° |
| C4 | C3 | C5 | 103.0° | 109.5° |
| C4 | C3 | H5 | 109.5° | 109.5° |
| C3 | C4 | O2 | 119.2° | 120.0° |
| C3 | C4 | N3 | 119.6° | 120.0° |
| C5 | C3 | H5 | 110.4° | 109.4° |
| C3 | C5 | C6 | 119.5° | 109.1° |
| C3 | C5 | H6 | 106.9° | 109.5° |
| C3 | C5 | H7 | 106.9° | 109.6° |
| O2 | C4 | N3 | 121.2° | 120.0° |
| C6 | C5 | H6 | 106.9° | 109.4° |
| C6 | C5 | H7 | 106.9° | 109.7° |
| C5 | C6 | O3 | 119.8° | 120.1° |
| C5 | C6 | N1 | 120.1° | 119.8° |
| H6 | C5 | H7 | 109.4° | 109.6° |
| O3 | C6 | N1 | 120.1° | 120.1° |
| C7 | N3 | H8 | 119.7° | 120.0° |
| N3 | C7 | C8 | 115.7° | 109.5° |
| N3 | C7 | C9 | 112.7° | 109.5° |
| N3 | C7 | H9 | 103.8° | 109.5° |
| C7 | N3 | C4 | 120.7° | 120.0° |
| H8 | N3 | C4 | 119.7° | 120.0° |
| C8 | C7 | C9 | 116.5° | 109.5° |
| C8 | C7 | H9 | 102.8° | 109.5° |
| C7 | C8 | O4 | 122.2° | 120.0° |
| C7 | C8 | N6 | 119.5° | 120.0° |
| C9 | C7 | H9 | 102.9° | 109.5° |
| C7 | C9 | C10 | 114.8° | 109.5° |
| C7 | C9 | H10 | 108.1° | 109.5° |
| C7 | C9 | H11 | 108.1° | 109.5° |
| O4 | C8 | N6 | 118.3° | 120.0° |
| C10 | C9 | H10 | 108.1° | 109.5° |
| C10 | C9 | H11 | 108.1° | 109.5° |
| C9 | C10 | N4 | 125.8° | 126.0° |
| C9 | C10 | C11 | 126.4° | 126.0° |
| H10 | C9 | H11 | 109.5° | 109.4° |
| N4 | C10 | C11 | 107.8° | 108.0° |
| C10 | N4 | C12 | 107.4° | 109.3° |
| C10 | N4 | H12 | 126.3° | 125.3° |
| C10 | C11 | N5 | 106.2° | 106.8° |
| C10 | C11 | H13 | 126.9° | 126.6° |
| C12 | N4 | H12 | 126.3° | 125.4° |
| N4 | C12 | N5 | 109.8° | 108.7° |
| N4 | C12 | H14 | 125.1° | 125.6° |
| N5 | C11 | H13 | 126.9° | 126.6° |
| C11 | N5 | C12 | 108.8° | 107.2° |
| C11 | N5 | H15 | 125.6° | 126.4° |
| N5 | C12 | H14 | 125.1° | 125.7° |
| C12 | N5 | H15 | 125.6° | 126.4° |
| C13 | N6 | C17 | 106.1° | 108.7° |
| N6 | C13 | C14 | 107.7° | 109.9° |
| N6 | C13 | C15 | 104.9° | 107.2° |
| N6 | C13 | H16 | 113.2° | 109.9° |
| C13 | N6 | C8 | 127.5° | 125.6° |
| N6 | C17 | C16 | 106.7° | 104.7° |
| N6 | C17 | H21 | 110.2° | 110.4° |
| N6 | C17 | H22 | 110.2° | 110.3° |
| C17 | N6 | C8 | 126.4° | 125.7° |
| C14 | C13 | C15 | 104.5° | 109.9° |
| C14 | C13 | H16 | 113.2° | 109.9° |
| C13 | C14 | O5 | 118.5° | 120.0° |
| C13 | C14 | N7 | 120.5° | 120.0° |
| C15 | C13 | H16 | 112.6° | 110.0° |
| C13 | C15 | C16 | 103.5° | 103.0° |
| C13 | C15 | H17 | 110.9° | 110.7° |
| C13 | C15 | H18 | 110.9° | 110.7° |
| O5 | C14 | N7 | 121.0° | 120.0° |
| C16 | C15 | H17 | 110.9° | 110.7° |
| C16 | C15 | H18 | 110.9° | 110.7° |
| C15 | C16 | C17 | 105.0° | 101.5° |
| C15 | C16 | H19 | 110.6° | 111.0° |
| C15 | C16 | H20 | 110.6° | 111.0° |
| H17 | C15 | H18 | 109.5° | 110.7° |
| C17 | C16 | H19 | 110.6° | 111.2° |
| C17 | C16 | H20 | 110.6° | 110.9° |
| C16 | C17 | H21 | 110.2° | 110.5° |
| C16 | C17 | H22 | 110.2° | 110.3° |
| H19 | C16 | H20 | 109.4° | 111.0° |
| H21 | C17 | H22 | 109.5° | 110.4° |
| H23 | N7 | H24 | 120.0° | 120.0° |
| H23 | N7 | C14 | 120.0° | 120.0° |
| H24 | N7 | C14 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | H1 | H2 | 120.0° | 120.0° |
| N1 | C1 | H1 | H3 | 120.0° | 119.9° |
| N1 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | N1 | C2 | O1 | 0.1° | 12.0° |
| C1 | N1 | C2 | C6 | 179.9° | 179.9° |
| C1 | N1 | C6 | C5 | 179.8° | 175.6° |
| C1 | N1 | C6 | O3 | 0.0° | 4.4° |
| C1 | N1 | C2 | N2 | 179.7° | 167.7° |
| H1 | C1 | H2 | H3 | 120.0° | 120.1° |
| H1 | C1 | N1 | C2 | 180.0° | 4.7° |
| H1 | C1 | N1 | C6 | 0.1° | 175.3° |
| H2 | C1 | N1 | C2 | 60.0° | 115.4° |
| H2 | C1 | N1 | C6 | 120.1° | 64.7° |
| H3 | C1 | N1 | C2 | 60.0° | 124.6° |
| H3 | C1 | N1 | C6 | 119.9° | 55.3° |
| O1 | C2 | N1 | N2 | 179.6° | 179.7° |
| O1 | C2 | N2 | C3 | 179.3° | 174.3° |
| O1 | C2 | N2 | H4 | 0.7° | 5.7° |
| O1 | C2 | N1 | C6 | 180.0° | 167.9° |
| N1 | C2 | N2 | C3 | 1.1° | 5.5° |
| N1 | C2 | N2 | H4 | 178.9° | 174.6° |
| C2 | N1 | C6 | C5 | 0.3° | 4.4° |
| C2 | N1 | C6 | O3 | 180.0° | 175.6° |
| C3 | N2 | H4 | C2 | 180.0° | 179.9° |
| N2 | C3 | C4 | C5 | 124.8° | 120.0° |
| N2 | C3 | C4 | H5 | 117.7° | 120.0° |
| N2 | C3 | C5 | H5 | 131.4° | 119.9° |
| N2 | C3 | C4 | O2 | 78.8° | 26.6° |
| N2 | C3 | C5 | C6 | 1.5° | 47.0° |
| N2 | C3 | C5 | H6 | 123.0° | 166.6° |
| N2 | C3 | C5 | H7 | 119.9° | 73.2° |
| N2 | C3 | C4 | N3 | 101.2° | 153.4° |
| H4 | N2 | C3 | C4 | 69.1° | 95.8° |
| H4 | N2 | C3 | C5 | 178.4° | 144.1° |
| H4 | N2 | C3 | H5 | 47.3° | 24.2° |
| C4 | C3 | C5 | H5 | 116.9° | 120.1° |
| C3 | C4 | O2 | N3 | 179.9° | 180.0° |
| C4 | C3 | C5 | C6 | 110.2° | 73.1° |
| C4 | C3 | C5 | H6 | 11.2° | 46.6° |
| C4 | C3 | C5 | H7 | 128.4° | 166.8° |
| C3 | C4 | N3 | C7 | 179.4° | 174.5° |
| C3 | C4 | N3 | H8 | 0.6° | 5.5° |
| C4 | C3 | N2 | C2 | 110.9° | 84.1° |
| C5 | C3 | C4 | O2 | 46.1° | 93.4° |
| C3 | C5 | C6 | H6 | 121.4° | 119.8° |
| C3 | C5 | C6 | H7 | 121.4° | 120.1° |
| C3 | C5 | H6 | H7 | 115.4° | 120.2° |
| C3 | C5 | C6 | O3 | 179.4° | 145.6° |
| C3 | C5 | C6 | N1 | 0.8° | 34.4° |
| C5 | C3 | N2 | C2 | 1.7° | 35.9° |
| C5 | C3 | C4 | N3 | 134.0° | 86.6° |
| H5 | C3 | C4 | O2 | 163.5° | 146.6° |
| H5 | C3 | C5 | C6 | 132.9° | 166.9° |
| H5 | C3 | C5 | H6 | 105.6° | 73.5° |
| H5 | C3 | C5 | H7 | 11.5° | 46.7° |
| H5 | C3 | N2 | C2 | 132.7° | 155.9° |
| H5 | C3 | C4 | N3 | 16.5° | 33.4° |
| O2 | C4 | N3 | C7 | 0.5° | 5.5° |
| O2 | C4 | N3 | H8 | 179.5° | 174.5° |
| C6 | C5 | H6 | H7 | 115.5° | 120.3° |
| C5 | C6 | O3 | N1 | 179.8° | 180.0° |
| H6 | C5 | C6 | O3 | 58.0° | 25.8° |
| H6 | C5 | C6 | N1 | 122.3° | 154.2° |
| H7 | C5 | C6 | O3 | 59.2° | 94.4° |
| H7 | C5 | C6 | N1 | 120.6° | 85.6° |
| C7 | N3 | H8 | C4 | 180.0° | 179.9° |
| N3 | C7 | C8 | C9 | 135.9° | 120.0° |
| N3 | C7 | C8 | H9 | 112.4° | 120.0° |
| N3 | C7 | C9 | H9 | 111.1° | 120.0° |
| N3 | C7 | C8 | O4 | 71.7° | 0.0° |
| N3 | C7 | C9 | C10 | 108.8° | 66.0° |
| N3 | C7 | C9 | H10 | 12.0° | 173.9° |
| N3 | C7 | C9 | H11 | 130.5° | 54.0° |
| N3 | C7 | C8 | N6 | 108.3° | 180.0° |
| H8 | N3 | C7 | C8 | 114.0° | 48.2° |
| H8 | N3 | C7 | C9 | 108.4° | 71.8° |
| H8 | N3 | C7 | H9 | 2.2° | 168.2° |
| C8 | C7 | C9 | H9 | 111.7° | 120.0° |
| C7 | C8 | O4 | N6 | 180.0° | 180.0° |
| C8 | C7 | C9 | C10 | 28.5° | 174.0° |
| C8 | C7 | C9 | H10 | 149.2° | 53.9° |
| C8 | C7 | C9 | H11 | 92.3° | 66.0° |
| C7 | C8 | N6 | C13 | 0.3° | 180.0° |
| C7 | C8 | N6 | C17 | 179.6° | 0.4° |
| C8 | C7 | N3 | C4 | 66.0° | 131.9° |
| C9 | C7 | C8 | O4 | 64.2° | 120.0° |
| C7 | C9 | C10 | H10 | 120.8° | 120.1° |
| C7 | C9 | C10 | H11 | 120.8° | 120.0° |
| C7 | C9 | H10 | H11 | 117.6° | 120.0° |
| C7 | C9 | C10 | N4 | 48.3° | 96.1° |
| C7 | C9 | C10 | C11 | 131.0° | 84.2° |
| C9 | C7 | N3 | C4 | 71.6° | 108.1° |
| C9 | C7 | C8 | N6 | 115.8° | 60.0° |
| H9 | C7 | C8 | O4 | 175.9° | 120.0° |
| H9 | C7 | C9 | C10 | 140.1° | 53.9° |
| H9 | C7 | C9 | H10 | 99.1° | 66.1° |
| H9 | C7 | C9 | H11 | 19.4° | 174.0° |
| H9 | C7 | N3 | C4 | 177.8° | 11.9° |
| H9 | C7 | C8 | N6 | 4.1° | 60.0° |
| O4 | C8 | N6 | C13 | 179.6° | 0.1° |
| O4 | C8 | N6 | C17 | 0.4° | 179.7° |
| C10 | C9 | H10 | H11 | 117.6° | 119.9° |
| C9 | C10 | N4 | C11 | 179.4° | 179.8° |
| C9 | C10 | N4 | C12 | 179.6° | 180.0° |
| C9 | C10 | N4 | H12 | 0.4° | 0.0° |
| C9 | C10 | C11 | N5 | 179.6° | 180.0° |
| C9 | C10 | C11 | H13 | 0.3° | 0.0° |
| H10 | C9 | C10 | N4 | 72.5° | 24.0° |
| H10 | C9 | C10 | C11 | 108.2° | 155.7° |
| H11 | C9 | C10 | N4 | 169.1° | 143.9° |
| H11 | C9 | C10 | C11 | 10.3° | 35.8° |
| C10 | N4 | C12 | H12 | 180.0° | 180.0° |
| N4 | C10 | C11 | N5 | 0.2° | 0.3° |
| N4 | C10 | C11 | H13 | 179.7° | 179.7° |
| C10 | N4 | C12 | N5 | 0.0° | 0.1° |
| C10 | N4 | C12 | H14 | 180.0° | 179.9° |
| C11 | C10 | N4 | C12 | 0.1° | 0.3° |
| C11 | C10 | N4 | H12 | 179.8° | 179.8° |
| C10 | C11 | N5 | H13 | 180.0° | 180.0° |
| C10 | C11 | N5 | C12 | 0.2° | 0.2° |
| C10 | C11 | N5 | H15 | 179.8° | 180.0° |
| N4 | C12 | N5 | C11 | 0.1° | 0.0° |
| N4 | C12 | N5 | H14 | 180.0° | 179.8° |
| N4 | C12 | N5 | H15 | 179.9° | 179.8° |
| H12 | N4 | C12 | N5 | 180.0° | 179.9° |
| H12 | N4 | C12 | H14 | 0.0° | 0.1° |
| C11 | N5 | C12 | H15 | 180.0° | 179.8° |
| C11 | N5 | C12 | H14 | 179.9° | 179.8° |
| H13 | C11 | N5 | C12 | 179.7° | 179.8° |
| H13 | C11 | N5 | H15 | 0.3° | 0.0° |
| H14 | C12 | N5 | H15 | 0.1° | 0.0° |
| C13 | N6 | C17 | C8 | 180.0° | 179.7° |
| N6 | C13 | C14 | C15 | 111.2° | 117.8° |
| N6 | C13 | C14 | H16 | 126.0° | 121.0° |
| N6 | C13 | C15 | H16 | 123.6° | 119.4° |
| N6 | C13 | C14 | O5 | 2.4° | 0.0° |
| N6 | C13 | C15 | C16 | 30.1° | 22.2° |
| N6 | C13 | C15 | H17 | 89.0° | 140.6° |
| N6 | C13 | C15 | H18 | 149.1° | 96.2° |
| C13 | N6 | C17 | C16 | 12.5° | 24.5° |
| C13 | N6 | C17 | H21 | 132.1° | 94.4° |
| C13 | N6 | C17 | H22 | 107.0° | 143.2° |
| N6 | C13 | C14 | N7 | 179.2° | 180.0° |
| C17 | N6 | C13 | C14 | 103.1° | 118.1° |
| C17 | N6 | C13 | C15 | 7.8° | 1.4° |
| C17 | N6 | C13 | H16 | 131.0° | 120.9° |
| N6 | C17 | C16 | C15 | 33.9° | 37.3° |
| N6 | C17 | C16 | H21 | 119.6° | 118.9° |
| N6 | C17 | C16 | H22 | 119.6° | 118.7° |
| N6 | C17 | C16 | H19 | 153.2° | 80.8° |
| N6 | C17 | C16 | H20 | 85.4° | 155.3° |
| N6 | C17 | H21 | H22 | 121.3° | 122.3° |
| C14 | C13 | C15 | H16 | 123.2° | 121.1° |
| C13 | C14 | O5 | N7 | 178.4° | 180.0° |
| C14 | C13 | C15 | C16 | 83.2° | 141.6° |
| C14 | C13 | C15 | H17 | 157.8° | 100.0° |
| C14 | C13 | C15 | H18 | 35.9° | 23.2° |
| C13 | C14 | N7 | H23 | 178.3° | 0.0° |
| C13 | C14 | N7 | H24 | 1.6° | 180.0° |
| C14 | C13 | N6 | C8 | 77.0° | 61.6° |
| C15 | C13 | C14 | O5 | 108.8° | 117.8° |
| C13 | C15 | C16 | H17 | 119.0° | 118.4° |
| C13 | C15 | C16 | H18 | 119.0° | 118.4° |
| C13 | C15 | H17 | H18 | 122.8° | 123.2° |
| C13 | C15 | C16 | C17 | 36.4° | 35.7° |
| C13 | C15 | C16 | H19 | 155.7° | 82.5° |
| C13 | C15 | C16 | H20 | 82.9° | 153.5° |
| C15 | C13 | N6 | C8 | 172.1° | 179.0° |
| C15 | C13 | C14 | N7 | 69.6° | 62.2° |
| H16 | C13 | C14 | O5 | 128.4° | 121.0° |
| H16 | C13 | C15 | C16 | 153.6° | 97.3° |
| H16 | C13 | C15 | H17 | 34.6° | 21.1° |
| H16 | C13 | C15 | H18 | 87.4° | 144.3° |
| H16 | C13 | N6 | C8 | 49.0° | 59.5° |
| H16 | C13 | C14 | N7 | 53.3° | 59.0° |
| O5 | C14 | N7 | H23 | 0.0° | 180.0° |
| O5 | C14 | N7 | H24 | 180.0° | 0.0° |
| C16 | C15 | H17 | H18 | 122.8° | 123.2° |
| C15 | C16 | C17 | H19 | 119.3° | 118.1° |
| C15 | C16 | C17 | H20 | 119.3° | 118.0° |
| C15 | C16 | H19 | H20 | 122.1° | 124.0° |
| C15 | C16 | C17 | H21 | 153.4° | 81.6° |
| C15 | C16 | C17 | H22 | 85.7° | 156.0° |
| H17 | C15 | C16 | C17 | 82.6° | 154.1° |
| H17 | C15 | C16 | H19 | 36.7° | 35.9° |
| H17 | C15 | C16 | H20 | 158.1° | 88.1° |
| H18 | C15 | C16 | C17 | 155.4° | 82.7° |
| H18 | C15 | C16 | H19 | 85.3° | 159.1° |
| H18 | C15 | C16 | H20 | 36.1° | 35.1° |
| C17 | C16 | H19 | H20 | 122.1° | 123.9° |
| C16 | C17 | H21 | H22 | 121.3° | 122.3° |
| C16 | C17 | N6 | C8 | 167.5° | 155.8° |
| H19 | C16 | C17 | H21 | 87.3° | 160.3° |
| H19 | C16 | C17 | H22 | 33.6° | 37.9° |
| H20 | C16 | C17 | H21 | 34.1° | 36.4° |
| H20 | C16 | C17 | H22 | 155.0° | 86.0° |
| H21 | C17 | N6 | C8 | 47.9° | 85.2° |
| H22 | C17 | N6 | C8 | 72.9° | 37.2° |
| H23 | N7 | H24 | C14 | 180.0° | 179.9° |
| C6 | N1 | C2 | N2 | 0.4° | 12.3° |
