U2J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C14 | doub | 1.22Å | 1.23Å | |
| C15 | N5 | sing | 1.46Å | 1.46Å | |
| C14 | N5 | sing | 1.34Å | 1.39Å | |
| C14 | N6 | sing | 1.34Å | 1.39Å | |
| N5 | C13 | sing | 1.35Å | 1.38Å | |
| C13 | O4 | doub | 1.21Å | 1.22Å | |
| C13 | C12 | sing | 1.51Å | 1.51Å | |
| N6 | C11 | sing | 1.46Å | 1.45Å | |
| C12 | C11 | sing | 1.53Å | 1.51Å | |
| C11 | C10 | sing | 1.51Å | 1.51Å | |
| O2 | C10 | doub | 1.21Å | 1.22Å | |
| C10 | N4 | sing | 1.35Å | 1.37Å | |
| N9 | N8 | doub | 1.29Å | 1.36Å | Aromatic |
| N9 | N10 | sing | 1.29Å | 1.35Å | Aromatic |
| N8 | N7 | sing | 1.29Å | 1.36Å | Aromatic |
| N10 | C23 | sing | 1.35Å | 1.35Å | Aromatic |
| N4 | C3 | sing | 1.46Å | 1.45Å | |
| N7 | C23 | doub | 1.32Å | 1.35Å | Aromatic |
| C23 | C20 | sing | 1.48Å | 1.48Å | |
| C20 | C19 | doub | 1.40Å | 1.38Å | Aromatic |
| C20 | C21 | sing | 1.40Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.55Å | 1.52Å | |
| C3 | C4 | sing | 1.55Å | 1.51Å | |
| C2 | N1 | sing | 1.47Å | 1.44Å | |
| C19 | C18 | sing | 1.38Å | 1.37Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C17 | doub | 1.40Å | 1.37Å | Aromatic |
| C22 | C17 | sing | 1.40Å | 1.38Å | Aromatic |
| C4 | C1 | sing | 1.54Å | 1.51Å | |
| C17 | C16 | sing | 1.48Å | 1.46Å | |
| N1 | C16 | sing | 1.35Å | 1.40Å | |
| N1 | C1 | sing | 1.47Å | 1.45Å | |
| C16 | O5 | doub | 1.22Å | 1.22Å | |
| C1 | C5 | sing | 1.51Å | 1.48Å | |
| S1 | C5 | sing | 1.71Å | 1.71Å | Aromatic |
| S1 | C7 | sing | 1.71Å | 1.72Å | Aromatic |
| C5 | N2 | doub | 1.29Å | 1.31Å | Aromatic |
| N2 | C6 | sing | 1.34Å | 1.37Å | Aromatic |
| C7 | C6 | doub | 1.35Å | 1.38Å | Aromatic |
| C6 | C8 | sing | 1.47Å | 1.45Å | |
| C8 | N3 | sing | 1.35Å | 1.38Å | |
| C8 | O1 | doub | 1.22Å | 1.22Å | |
| N3 | C9 | sing | 1.47Å | 1.44Å | |
| C19 | H21 | sing | 1.08Å | 1.08Å | |
| C21 | H22 | sing | 1.08Å | 1.08Å | |
| C18 | H20 | sing | 1.08Å | 1.08Å | |
| C22 | H23 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| N10 | H24 | sing | 0.97Å | 1.00Å | |
| N6 | H16 | sing | 0.97Å | 1.00Å | |
| N3 | H8 | sing | 0.97Å | 1.00Å | |
| N4 | H12 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C14 | N5 | 122.1° | 119.2° |
| O3 | C14 | N6 | 123.2° | 119.3° |
| C15 | N5 | C14 | 117.2° | 119.5° |
| C15 | N5 | C13 | 118.7° | 119.5° |
| N5 | C15 | H19 | 109.5° | 109.5° |
| N5 | C15 | H17 | 109.5° | 109.4° |
| N5 | C15 | H18 | 109.4° | 109.5° |
| N5 | C14 | N6 | 114.7° | 121.5° |
| C14 | N5 | C13 | 123.9° | 121.0° |
| C14 | N6 | C11 | 123.9° | 120.9° |
| C14 | N6 | H16 | 118.0° | 119.5° |
| N5 | C13 | O4 | 125.0° | 120.0° |
| N5 | C13 | C12 | 114.3° | 120.0° |
| O4 | C13 | C12 | 120.7° | 120.0° |
| C13 | C12 | C11 | 113.2° | 109.2° |
| C13 | C12 | H15 | 108.5° | 109.5° |
| C13 | C12 | H14 | 108.5° | 109.5° |
| N6 | C11 | C12 | 108.6° | 109.6° |
| N6 | C11 | C10 | 108.9° | 109.5° |
| N6 | C11 | H13 | 110.2° | 109.5° |
| C11 | N6 | H16 | 118.1° | 119.6° |
| C12 | C11 | C10 | 110.7° | 109.4° |
| C11 | C12 | H15 | 108.5° | 109.5° |
| C11 | C12 | H14 | 108.5° | 109.5° |
| C12 | C11 | H13 | 109.2° | 109.5° |
| C11 | C10 | O2 | 123.8° | 119.9° |
| C11 | C10 | N4 | 113.4° | 120.0° |
| C10 | C11 | H13 | 109.2° | 109.4° |
| O2 | C10 | N4 | 122.9° | 120.0° |
| C10 | N4 | C3 | 119.9° | 120.0° |
| C10 | N4 | H12 | 120.1° | 120.0° |
| N8 | N9 | N10 | 109.2° | 109.1° |
| N9 | N8 | N7 | 108.8° | 109.6° |
| N9 | N10 | C23 | 104.7° | 107.1° |
| N9 | N10 | H24 | 127.6° | 126.5° |
| N8 | N7 | C23 | 104.7° | 107.9° |
| N10 | C23 | N7 | 112.5° | 106.3° |
| N10 | C23 | C20 | 123.8° | 126.8° |
| C23 | N10 | H24 | 127.7° | 126.5° |
| N4 | C3 | C2 | 113.7° | 111.0° |
| N4 | C3 | C4 | 113.3° | 111.0° |
| N4 | C3 | H4 | 110.0° | 110.9° |
| C3 | N4 | H12 | 120.0° | 120.0° |
| N7 | C23 | C20 | 123.6° | 126.9° |
| C23 | C20 | C19 | 119.5° | 120.0° |
| C23 | C20 | C21 | 120.5° | 120.0° |
| C19 | C20 | C21 | 120.1° | 120.0° |
| C20 | C19 | C18 | 120.5° | 120.0° |
| C20 | C19 | H21 | 119.8° | 120.0° |
| C20 | C21 | C22 | 119.8° | 120.0° |
| C20 | C21 | H22 | 120.1° | 120.0° |
| C2 | C3 | C4 | 101.3° | 101.6° |
| C3 | C2 | N1 | 104.0° | 104.8° |
| C3 | C2 | H3 | 110.8° | 110.4° |
| C3 | C2 | H2 | 110.8° | 110.5° |
| C2 | C3 | H4 | 109.0° | 111.0° |
| C3 | C4 | C1 | 101.3° | 102.9° |
| C3 | C4 | H5 | 111.5° | 110.7° |
| C3 | C4 | H6 | 111.5° | 110.9° |
| C4 | C3 | H4 | 109.1° | 111.0° |
| C2 | N1 | C16 | 125.7° | 125.6° |
| C2 | N1 | C1 | 110.1° | 108.7° |
| N1 | C2 | H3 | 110.8° | 110.3° |
| N1 | C2 | H2 | 110.8° | 110.3° |
| C19 | C18 | C17 | 118.7° | 120.0° |
| C18 | C19 | H21 | 119.8° | 120.0° |
| C19 | C18 | H20 | 120.7° | 120.0° |
| C21 | C22 | C17 | 119.2° | 120.0° |
| C22 | C21 | H22 | 120.1° | 120.0° |
| C21 | C22 | H23 | 120.4° | 120.0° |
| C18 | C17 | C22 | 121.8° | 120.0° |
| C18 | C17 | C16 | 119.0° | 120.0° |
| C17 | C18 | H20 | 120.7° | 120.0° |
| C22 | C17 | C16 | 119.2° | 120.0° |
| C17 | C22 | H23 | 120.4° | 120.0° |
| C4 | C1 | N1 | 104.3° | 107.3° |
| C4 | C1 | C5 | 112.2° | 109.9° |
| C1 | C4 | H5 | 111.5° | 110.7° |
| C1 | C4 | H6 | 111.5° | 110.7° |
| C4 | C1 | H1 | 107.8° | 109.8° |
| C17 | C16 | N1 | 118.1° | 120.0° |
| C17 | C16 | O5 | 116.8° | 120.0° |
| C16 | N1 | C1 | 120.1° | 125.6° |
| N1 | C16 | O5 | 125.1° | 120.0° |
| N1 | C1 | C5 | 115.3° | 109.9° |
| N1 | C1 | H1 | 108.6° | 110.0° |
| C1 | C5 | S1 | 119.9° | 124.7° |
| C1 | C5 | N2 | 124.3° | 124.7° |
| C5 | C1 | H1 | 108.3° | 109.9° |
| C5 | S1 | C7 | 89.4° | 91.1° |
| S1 | C5 | N2 | 115.8° | 110.6° |
| S1 | C7 | C6 | 109.3° | 108.8° |
| S1 | C7 | H7 | 125.4° | 125.6° |
| C5 | N2 | C6 | 109.9° | 115.7° |
| N2 | C6 | C7 | 115.6° | 113.7° |
| N2 | C6 | C8 | 120.5° | 123.1° |
| C7 | C6 | C8 | 123.8° | 123.2° |
| C6 | C7 | H7 | 125.3° | 125.6° |
| C6 | C8 | N3 | 112.6° | 120.0° |
| C6 | C8 | O1 | 121.8° | 120.0° |
| N3 | C8 | O1 | 125.6° | 119.9° |
| C8 | N3 | C9 | 122.3° | 120.0° |
| C8 | N3 | H8 | 118.8° | 120.0° |
| N3 | C9 | H9 | 109.5° | 109.4° |
| N3 | C9 | H10 | 109.5° | 109.5° |
| N3 | C9 | H11 | 109.5° | 109.5° |
| C9 | N3 | H8 | 118.8° | 120.0° |
| H15 | C12 | H14 | 109.5° | 109.6° |
| H5 | C4 | H6 | 109.5° | 110.7° |
| H3 | C2 | H2 | 109.5° | 110.3° |
| H19 | C15 | H17 | 109.5° | 109.5° |
| H19 | C15 | H18 | 109.5° | 109.5° |
| H17 | C15 | H18 | 109.5° | 109.5° |
| H9 | C9 | H10 | 109.4° | 109.5° |
| H9 | C9 | H11 | 109.4° | 109.5° |
| H10 | C9 | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C14 | N5 | C15 | 25.2° | 12.1° |
| O3 | C14 | N5 | N6 | 179.8° | 180.0° |
| O3 | C14 | N5 | C13 | 151.2° | 167.4° |
| O3 | C14 | N6 | C11 | 171.0° | 174.6° |
| O3 | C14 | N6 | H16 | 9.1° | 5.7° |
| C15 | N5 | C14 | C13 | 176.4° | 179.4° |
| C15 | N5 | C14 | N6 | 155.0° | 168.0° |
| C15 | N5 | C13 | O4 | 2.4° | 4.7° |
| C15 | N5 | C13 | C12 | 177.6° | 175.6° |
| N5 | C15 | H19 | H17 | 120.0° | 120.0° |
| N5 | C15 | H19 | H18 | 120.0° | 120.0° |
| N5 | C15 | H17 | H18 | 120.0° | 120.0° |
| C14 | N5 | C13 | O4 | 173.9° | 175.8° |
| C14 | N5 | C13 | C12 | 6.1° | 3.9° |
| N5 | C14 | N6 | C11 | 8.9° | 5.4° |
| C14 | N5 | C15 | H19 | 180.0° | 0.0° |
| C14 | N5 | C15 | H17 | 60.0° | 120.0° |
| C14 | N5 | C15 | H18 | 60.0° | 120.0° |
| N5 | C14 | N6 | H16 | 171.1° | 174.3° |
| N6 | C14 | N5 | C13 | 28.6° | 12.6° |
| C14 | N6 | C11 | H16 | 180.0° | 179.7° |
| C14 | N6 | C11 | C12 | 28.7° | 35.8° |
| C14 | N6 | C11 | C10 | 91.9° | 84.2° |
| C14 | N6 | C11 | H13 | 148.3° | 155.9° |
| N5 | C13 | O4 | C12 | 179.9° | 179.7° |
| N5 | C13 | C12 | C11 | 34.3° | 33.9° |
| N5 | C13 | C12 | H15 | 86.2° | 86.0° |
| N5 | C13 | C12 | H14 | 154.8° | 153.8° |
| C13 | N5 | C15 | H19 | 3.4° | 179.5° |
| C13 | N5 | C15 | H17 | 116.6° | 60.6° |
| C13 | N5 | C15 | H18 | 123.4° | 59.4° |
| O4 | C13 | C12 | C11 | 145.8° | 145.8° |
| O4 | C13 | C12 | H15 | 93.7° | 94.4° |
| O4 | C13 | C12 | H14 | 25.2° | 25.9° |
| C13 | C12 | C11 | N6 | 49.2° | 46.6° |
| C13 | C12 | C11 | H15 | 120.5° | 119.9° |
| C13 | C12 | C11 | H14 | 120.6° | 119.9° |
| C13 | C12 | C11 | C10 | 70.3° | 73.4° |
| C13 | C12 | H15 | H14 | 118.3° | 120.2° |
| C13 | C12 | C11 | H13 | 169.3° | 166.7° |
| N6 | C11 | C12 | C10 | 119.5° | 120.0° |
| N6 | C11 | C12 | H13 | 120.2° | 120.1° |
| N6 | C11 | C10 | H13 | 120.3° | 120.0° |
| N6 | C11 | C10 | O2 | 21.2° | 20.0° |
| N6 | C11 | C10 | N4 | 160.0° | 159.9° |
| N6 | C11 | C12 | H15 | 71.4° | 73.2° |
| N6 | C11 | C12 | H14 | 169.7° | 166.6° |
| C12 | C11 | C10 | H13 | 120.3° | 119.9° |
| C12 | C11 | C10 | O2 | 98.1° | 100.1° |
| C12 | C11 | C10 | N4 | 80.6° | 80.0° |
| C11 | C12 | H15 | H14 | 118.3° | 120.2° |
| C12 | C11 | N6 | H16 | 151.3° | 143.9° |
| C11 | C10 | O2 | N4 | 178.7° | 179.9° |
| C11 | C10 | N4 | C3 | 173.0° | 180.0° |
| C10 | C11 | C12 | H15 | 169.1° | 166.7° |
| C10 | C11 | C12 | H14 | 50.2° | 46.5° |
| C10 | C11 | N6 | H16 | 88.1° | 96.2° |
| C11 | C10 | N4 | H12 | 7.0° | 0.1° |
| O2 | C10 | N4 | C3 | 8.2° | 0.1° |
| O2 | C10 | C11 | H13 | 141.5° | 140.0° |
| O2 | C10 | N4 | H12 | 171.8° | 180.0° |
| C10 | N4 | C3 | H12 | 180.0° | 179.9° |
| C10 | N4 | C3 | C2 | 69.7° | 86.4° |
| C10 | N4 | C3 | C4 | 175.4° | 161.4° |
| N4 | C10 | C11 | H13 | 39.7° | 39.9° |
| C10 | N4 | C3 | H4 | 53.0° | 37.5° |
| N8 | N9 | N10 | C23 | 0.9° | 0.2° |
| N9 | N8 | N7 | C23 | 0.1° | 0.1° |
| N8 | N9 | N10 | H24 | 179.1° | 179.8° |
| N10 | N9 | N8 | N7 | 0.6° | 0.0° |
| N9 | N10 | C23 | H24 | 180.0° | 180.0° |
| N9 | N10 | C23 | N7 | 0.9° | 0.2° |
| N9 | N10 | C23 | C20 | 175.9° | 180.0° |
| N8 | N7 | C23 | N10 | 0.5° | 0.2° |
| N8 | N7 | C23 | C20 | 176.3° | 180.0° |
| N10 | C23 | N7 | C20 | 176.8° | 179.8° |
| N10 | C23 | C20 | C19 | 165.8° | 180.0° |
| N10 | C23 | C20 | C21 | 12.9° | 0.1° |
| N4 | C3 | C2 | C4 | 121.9° | 118.1° |
| N4 | C3 | C2 | H4 | 123.2° | 123.8° |
| N4 | C3 | C4 | H4 | 122.9° | 123.8° |
| N4 | C3 | C2 | N1 | 157.9° | 155.1° |
| N4 | C3 | C4 | C1 | 165.2° | 153.6° |
| N4 | C3 | C4 | H5 | 76.2° | 35.3° |
| N4 | C3 | C4 | H6 | 46.5° | 88.0° |
| N4 | C3 | C2 | H3 | 38.8° | 36.3° |
| N4 | C3 | C2 | H2 | 82.9° | 86.0° |
| N7 | C23 | C20 | C19 | 10.7° | 0.3° |
| N7 | C23 | C20 | C21 | 170.6° | 179.6° |
| N7 | C23 | N10 | H24 | 179.1° | 179.7° |
| C23 | C20 | C19 | C21 | 178.7° | 180.0° |
| C23 | C20 | C19 | C18 | 179.6° | 180.0° |
| C23 | C20 | C21 | C22 | 179.1° | 179.4° |
| C23 | C20 | C19 | H21 | 0.5° | 0.3° |
| C23 | C20 | C21 | H22 | 0.8° | 0.4° |
| C20 | C23 | N10 | H24 | 4.1° | 0.0° |
| C20 | C19 | C18 | H21 | 180.0° | 179.7° |
| C19 | C20 | C21 | C22 | 0.4° | 0.6° |
| C20 | C19 | C18 | C17 | 0.9° | 0.2° |
| C19 | C20 | C21 | H22 | 179.5° | 179.6° |
| C20 | C19 | C18 | H20 | 179.1° | 179.8° |
| C21 | C20 | C19 | C18 | 0.8° | 0.0° |
| C20 | C21 | C22 | H22 | 180.0° | 179.1° |
| C20 | C21 | C22 | C17 | 0.1° | 0.9° |
| C21 | C20 | C19 | H21 | 179.2° | 179.7° |
| C20 | C21 | C22 | H23 | 179.9° | 179.2° |
| C2 | C3 | C4 | H4 | 114.9° | 118.0° |
| C3 | C2 | N1 | H3 | 119.1° | 118.8° |
| C3 | C2 | N1 | H2 | 119.1° | 119.0° |
| C2 | C3 | C4 | C1 | 43.0° | 35.4° |
| C3 | C2 | N1 | C16 | 142.1° | 156.0° |
| C3 | C2 | N1 | C1 | 15.0° | 24.1° |
| C2 | C3 | C4 | H5 | 161.6° | 82.8° |
| C2 | C3 | C4 | H6 | 75.7° | 153.9° |
| C3 | C2 | H3 | H2 | 122.6° | 122.5° |
| C2 | C3 | N4 | H12 | 110.4° | 93.6° |
| C4 | C3 | C2 | N1 | 36.1° | 37.0° |
| C3 | C4 | C1 | H5 | 118.7° | 118.3° |
| C3 | C4 | C1 | H6 | 118.6° | 118.6° |
| C3 | C4 | C1 | N1 | 34.5° | 22.1° |
| C3 | C4 | C1 | C5 | 159.9° | 141.6° |
| C3 | C4 | H5 | H6 | 123.8° | 123.4° |
| C4 | C3 | C2 | H3 | 83.0° | 81.8° |
| C4 | C3 | C2 | H2 | 155.2° | 155.9° |
| C3 | C4 | C1 | H1 | 80.9° | 97.4° |
| C4 | C3 | N4 | H12 | 4.6° | 18.7° |
| C2 | N1 | C1 | C4 | 12.4° | 1.1° |
| C2 | N1 | C16 | C17 | 29.2° | 3.7° |
| C2 | N1 | C16 | C1 | 155.0° | 179.9° |
| C2 | N1 | C16 | O5 | 153.3° | 176.3° |
| C2 | N1 | C1 | C5 | 135.9° | 118.4° |
| N1 | C2 | H3 | H2 | 122.5° | 122.2° |
| C2 | N1 | C1 | H1 | 102.5° | 120.5° |
| N1 | C2 | C3 | H4 | 78.9° | 81.1° |
| C19 | C18 | C17 | H20 | 180.0° | 180.0° |
| C19 | C18 | C17 | C22 | 0.6° | 0.1° |
| C19 | C18 | C17 | C16 | 179.8° | 179.9° |
| C21 | C22 | C17 | C18 | 0.1° | 0.6° |
| C21 | C22 | C17 | H23 | 180.0° | 179.9° |
| C21 | C22 | C17 | C16 | 179.4° | 179.5° |
| C18 | C17 | C22 | C16 | 179.2° | 179.9° |
| C18 | C17 | C16 | N1 | 56.6° | 27.4° |
| C18 | C17 | C16 | O5 | 121.2° | 152.6° |
| C17 | C18 | C19 | H21 | 179.1° | 179.9° |
| C18 | C17 | C22 | H23 | 179.8° | 179.5° |
| C22 | C17 | C16 | N1 | 124.2° | 152.4° |
| C22 | C17 | C16 | O5 | 58.1° | 27.6° |
| C17 | C22 | C21 | H22 | 179.9° | 180.0° |
| C22 | C17 | C18 | H20 | 179.4° | 179.9° |
| C4 | C1 | N1 | C16 | 171.0° | 179.0° |
| C4 | C1 | N1 | C5 | 123.5° | 119.5° |
| C4 | C1 | N1 | H1 | 114.8° | 119.4° |
| C4 | C1 | C5 | H1 | 118.9° | 120.9° |
| C4 | C1 | C5 | S1 | 76.7° | 75.3° |
| C4 | C1 | C5 | N2 | 104.2° | 105.0° |
| C1 | C4 | H5 | H6 | 123.8° | 123.2° |
| C1 | C4 | C3 | H4 | 71.9° | 82.6° |
| C17 | C16 | N1 | O5 | 177.6° | 180.0° |
| C17 | C16 | N1 | C1 | 175.8° | 176.4° |
| C16 | C17 | C18 | H20 | 0.2° | 0.1° |
| C16 | C17 | C22 | H23 | 0.6° | 0.4° |
| C16 | N1 | C1 | C5 | 65.5° | 61.6° |
| C16 | N1 | C2 | H3 | 98.8° | 85.2° |
| C16 | N1 | C2 | H2 | 23.0° | 36.9° |
| C16 | N1 | C1 | H1 | 56.1° | 59.6° |
| C1 | N1 | C16 | O5 | 1.8° | 3.6° |
| N1 | C1 | C5 | H1 | 121.9° | 121.2° |
| N1 | C1 | C5 | S1 | 42.5° | 42.5° |
| N1 | C1 | C5 | N2 | 136.5° | 137.2° |
| N1 | C1 | C4 | H5 | 153.2° | 96.2° |
| N1 | C1 | C4 | H6 | 84.2° | 140.7° |
| C1 | N1 | C2 | H3 | 104.1° | 94.7° |
| C1 | N1 | C2 | H2 | 134.1° | 143.2° |
| C1 | C5 | S1 | N2 | 179.2° | 179.7° |
| C1 | C5 | S1 | C7 | 180.0° | 179.9° |
| C1 | C5 | N2 | C6 | 180.0° | 180.0° |
| C5 | C1 | C4 | H5 | 81.4° | 23.3° |
| C5 | C1 | C4 | H6 | 41.3° | 99.8° |
| S1 | C5 | N2 | C6 | 0.9° | 0.2° |
| C5 | S1 | C7 | C6 | 0.5° | 0.3° |
| C5 | S1 | C7 | H7 | 179.4° | 180.0° |
| S1 | C5 | C1 | H1 | 164.4° | 163.7° |
| C7 | S1 | C5 | N2 | 0.8° | 0.3° |
| S1 | C7 | C6 | N2 | 0.2° | 0.3° |
| S1 | C7 | C6 | H7 | 180.0° | 179.7° |
| S1 | C7 | C6 | C8 | 179.4° | 179.8° |
| C5 | N2 | C6 | C7 | 0.4° | 0.0° |
| C5 | N2 | C6 | C8 | 180.0° | 180.0° |
| N2 | C5 | C1 | H1 | 14.7° | 16.0° |
| N2 | C6 | C7 | C8 | 179.6° | 180.0° |
| N2 | C6 | C8 | N3 | 16.9° | 0.1° |
| N2 | C6 | C8 | O1 | 163.8° | 180.0° |
| N2 | C6 | C7 | H7 | 179.8° | 180.0° |
| C7 | C6 | C8 | N3 | 162.7° | 180.0° |
| C7 | C6 | C8 | O1 | 16.7° | 0.0° |
| C6 | C8 | N3 | O1 | 179.3° | 179.9° |
| C6 | C8 | N3 | C9 | 179.0° | 179.9° |
| C8 | C6 | C7 | H7 | 0.7° | 0.0° |
| C6 | C8 | N3 | H8 | 1.0° | 0.1° |
| C8 | N3 | C9 | H8 | 180.0° | 180.0° |
| C8 | N3 | C9 | H9 | 180.0° | 60.0° |
| C8 | N3 | C9 | H10 | 60.0° | 60.0° |
| C8 | N3 | C9 | H11 | 60.0° | 180.0° |
| O1 | C8 | N3 | C9 | 1.7° | 0.0° |
| O1 | C8 | N3 | H8 | 178.3° | 180.0° |
| N3 | C9 | H9 | H10 | 120.0° | 120.0° |
| N3 | C9 | H9 | H11 | 120.0° | 120.0° |
| N3 | C9 | H10 | H11 | 120.0° | 120.0° |
| H21 | C19 | C18 | H20 | 0.9° | 0.1° |
| H22 | C21 | C22 | H23 | 0.1° | 0.1° |
| H15 | C12 | C11 | H13 | 48.8° | 46.8° |
| H14 | C12 | C11 | H13 | 70.1° | 73.4° |
| H5 | C4 | C1 | H1 | 37.8° | 144.3° |
| H5 | C4 | C3 | H4 | 46.8° | 159.1° |
| H6 | C4 | C1 | H1 | 160.5° | 21.1° |
| H6 | C4 | C3 | H4 | 169.4° | 35.9° |
| H3 | C2 | C3 | H4 | 162.0° | 160.1° |
| H2 | C2 | C3 | H4 | 40.2° | 37.8° |
| H13 | C11 | N6 | H16 | 31.7° | 23.8° |
| H4 | C3 | N4 | H12 | 127.0° | 142.6° |
| H19 | C15 | H17 | H18 | 120.0° | 120.0° |
| H9 | C9 | H10 | H11 | 120.0° | 120.0° |
| H9 | C9 | N3 | H8 | 0.0° | 120.0° |
| H10 | C9 | N3 | H8 | 120.0° | 120.0° |
| H11 | C9 | N3 | H8 | 120.0° | 0.0° |
