U3Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C14 | doub | 1.22Å | 1.22Å | |
| C15 | N5 | sing | 1.47Å | 1.45Å | |
| C14 | N5 | sing | 1.34Å | 1.42Å | |
| C14 | N6 | sing | 1.34Å | 1.39Å | |
| N5 | C13 | sing | 1.35Å | 1.42Å | |
| N6 | C11 | sing | 1.46Å | 1.45Å | |
| C13 | O4 | doub | 1.21Å | 1.22Å | |
| C13 | C12 | sing | 1.51Å | 1.52Å | |
| 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 | |
| N8 | N9 | doub | 1.29Å | 1.35Å | Aromatic |
| N8 | N7 | sing | 1.29Å | 1.36Å | Aromatic |
| N9 | N10 | sing | 1.29Å | 1.36Å | Aromatic |
| N7 | C23 | doub | 1.32Å | 1.35Å | Aromatic |
| N10 | C23 | sing | 1.35Å | 1.35Å | Aromatic |
| N4 | C3 | sing | 1.46Å | 1.46Å | |
| C23 | C20 | sing | 1.48Å | 1.48Å | |
| C20 | C19 | doub | 1.40Å | 1.41Å | Aromatic |
| C20 | C21 | sing | 1.40Å | 1.40Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | C2 | sing | 1.55Å | 1.53Å | |
| C3 | C4 | sing | 1.55Å | 1.53Å | |
| C2 | N1 | sing | 1.47Å | 1.47Å | |
| C21 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C17 | doub | 1.40Å | 1.40Å | Aromatic |
| C22 | C17 | sing | 1.40Å | 1.40Å | Aromatic |
| C17 | C16 | sing | 1.48Å | 1.46Å | |
| C4 | C1 | sing | 1.54Å | 1.54Å | |
| N1 | C16 | sing | 1.35Å | 1.40Å | |
| N1 | C1 | sing | 1.47Å | 1.49Å | |
| C16 | O5 | doub | 1.22Å | 1.22Å | |
| C1 | C5 | sing | 1.51Å | 1.53Å | |
| S1 | C5 | sing | 1.71Å | 1.70Å | Aromatic |
| S1 | C7 | sing | 1.71Å | 1.72Å | Aromatic |
| C5 | N2 | doub | 1.29Å | 1.31Å | Aromatic |
| N2 | C6 | sing | 1.34Å | 1.39Å | Aromatic |
| C7 | C6 | doub | 1.35Å | 1.37Å | Aromatic |
| C6 | C8 | sing | 1.47Å | 1.45Å | |
| O1 | C8 | doub | 1.22Å | 1.23Å | |
| C8 | N3 | sing | 1.35Å | 1.35Å | |
| N3 | C9 | sing | 1.47Å | 1.43Å | |
| 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 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | 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 | 123.1° | 119.2° |
| O3 | C14 | N6 | 123.2° | 119.2° |
| C15 | N5 | C14 | 116.6° | 119.5° |
| C15 | N5 | C13 | 119.8° | 119.5° |
| N5 | C15 | H19 | 109.5° | 109.5° |
| N5 | C15 | H17 | 109.5° | 109.4° |
| N5 | C15 | H18 | 109.4° | 109.4° |
| N5 | C14 | N6 | 113.6° | 121.6° |
| C14 | N5 | C13 | 123.0° | 121.0° |
| C14 | N6 | C11 | 124.0° | 120.9° |
| C14 | N6 | H16 | 118.0° | 119.6° |
| N5 | C13 | O4 | 125.9° | 120.0° |
| N5 | C13 | C12 | 113.3° | 120.0° |
| N6 | C11 | C12 | 110.5° | 109.5° |
| N6 | C11 | C10 | 108.0° | 109.4° |
| N6 | C11 | H13 | 109.4° | 109.4° |
| C11 | N6 | H16 | 118.0° | 119.5° |
| O4 | C13 | C12 | 120.7° | 120.0° |
| C13 | C12 | C11 | 113.7° | 109.2° |
| C13 | C12 | H15 | 108.4° | 109.6° |
| C13 | C12 | H14 | 108.4° | 109.5° |
| C12 | C11 | C10 | 111.8° | 109.5° |
| C11 | C12 | H15 | 108.4° | 109.5° |
| C11 | C12 | H14 | 108.4° | 109.5° |
| C12 | C11 | H13 | 108.5° | 109.5° |
| C11 | C10 | O2 | 123.2° | 120.0° |
| C11 | C10 | N4 | 113.5° | 120.0° |
| C10 | C11 | H13 | 108.6° | 109.5° |
| O2 | C10 | N4 | 123.2° | 120.0° |
| C10 | N4 | C3 | 121.7° | 120.0° |
| C10 | N4 | H12 | 119.2° | 120.0° |
| N9 | N8 | N7 | 108.3° | 109.7° |
| N8 | N9 | N10 | 110.0° | 109.1° |
| N8 | N7 | C23 | 105.1° | 107.8° |
| N9 | N10 | C23 | 104.2° | 107.0° |
| N9 | N10 | H24 | 127.9° | 126.5° |
| N7 | C23 | N10 | 112.4° | 106.4° |
| N7 | C23 | C20 | 123.7° | 126.8° |
| N10 | C23 | C20 | 123.8° | 126.8° |
| C23 | N10 | H24 | 127.9° | 126.5° |
| N4 | C3 | C2 | 116.1° | 111.0° |
| N4 | C3 | C4 | 109.6° | 111.0° |
| N4 | C3 | H4 | 110.6° | 110.9° |
| C3 | N4 | H12 | 119.2° | 120.0° |
| C23 | C20 | C19 | 119.9° | 120.0° |
| C23 | C20 | C21 | 120.2° | 119.9° |
| C19 | C20 | C21 | 119.9° | 120.0° |
| C20 | C19 | C18 | 120.3° | 120.0° |
| C20 | C19 | H21 | 119.9° | 120.0° |
| C20 | C21 | C22 | 120.3° | 120.0° |
| C20 | C21 | H22 | 119.9° | 120.0° |
| C19 | C18 | C17 | 119.1° | 120.0° |
| C18 | C19 | H21 | 119.9° | 120.0° |
| C19 | C18 | H20 | 120.5° | 120.0° |
| C2 | C3 | C4 | 100.8° | 101.6° |
| C3 | C2 | N1 | 104.7° | 104.8° |
| C3 | C2 | H3 | 110.7° | 110.4° |
| C3 | C2 | H2 | 110.7° | 110.4° |
| C2 | C3 | H4 | 109.6° | 111.0° |
| C3 | C4 | C1 | 104.2° | 102.9° |
| C3 | C4 | H5 | 110.8° | 110.7° |
| C3 | C4 | H6 | 110.8° | 110.9° |
| C4 | C3 | H4 | 109.6° | 111.0° |
| C2 | N1 | C16 | 124.3° | 125.6° |
| C2 | N1 | C1 | 110.6° | 108.7° |
| N1 | C2 | H3 | 110.7° | 110.4° |
| N1 | C2 | H2 | 110.7° | 110.4° |
| C21 | C22 | C17 | 119.1° | 120.0° |
| C22 | C21 | H22 | 119.8° | 120.0° |
| C21 | C22 | H23 | 120.5° | 120.0° |
| C18 | C17 | C22 | 121.4° | 120.0° |
| C18 | C17 | C16 | 120.1° | 120.0° |
| C17 | C18 | H20 | 120.4° | 120.0° |
| C22 | C17 | C16 | 118.4° | 120.0° |
| C17 | C22 | H23 | 120.4° | 120.0° |
| C17 | C16 | N1 | 117.8° | 120.0° |
| C17 | C16 | O5 | 115.3° | 120.0° |
| C4 | C1 | N1 | 102.3° | 107.3° |
| C4 | C1 | C5 | 109.0° | 109.9° |
| C1 | C4 | H5 | 110.8° | 110.7° |
| C1 | C4 | H6 | 110.8° | 110.7° |
| C4 | C1 | H1 | 108.6° | 109.9° |
| C16 | N1 | C1 | 119.4° | 125.6° |
| N1 | C16 | O5 | 126.9° | 120.0° |
| N1 | C1 | C5 | 118.4° | 109.9° |
| N1 | C1 | H1 | 109.2° | 110.0° |
| C1 | C5 | S1 | 120.7° | 124.7° |
| C1 | C5 | N2 | 125.4° | 124.7° |
| C5 | C1 | H1 | 108.8° | 109.9° |
| C5 | S1 | C7 | 91.5° | 91.1° |
| S1 | C5 | N2 | 113.9° | 110.6° |
| S1 | C7 | C6 | 108.1° | 108.8° |
| S1 | C7 | H7 | 126.0° | 125.6° |
| C5 | N2 | C6 | 110.8° | 115.8° |
| N2 | C6 | C7 | 115.8° | 113.7° |
| N2 | C6 | C8 | 121.2° | 123.2° |
| C7 | C6 | C8 | 123.0° | 123.1° |
| C6 | C7 | H7 | 126.0° | 125.6° |
| C6 | C8 | O1 | 123.8° | 120.0° |
| C6 | C8 | N3 | 110.8° | 120.0° |
| O1 | C8 | N3 | 125.4° | 120.0° |
| C8 | N3 | C9 | 116.2° | 120.0° |
| C8 | N3 | H8 | 121.9° | 120.0° |
| N3 | C9 | H10 | 109.5° | 109.5° |
| N3 | C9 | H11 | 109.5° | 109.5° |
| N3 | C9 | H9 | 109.5° | 109.4° |
| C9 | N3 | H8 | 121.9° | 120.1° |
| H15 | C12 | H14 | 109.5° | 109.6° |
| H5 | C4 | H6 | 109.4° | 110.7° |
| H3 | C2 | H2 | 109.4° | 110.4° |
| H19 | C15 | H17 | 109.5° | 109.5° |
| H19 | C15 | H18 | 109.5° | 109.5° |
| H17 | C15 | H18 | 109.5° | 109.5° |
| H10 | C9 | H11 | 109.5° | 109.5° |
| H10 | C9 | H9 | 109.5° | 109.5° |
| H11 | C9 | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C14 | N5 | C15 | 24.9° | 12.0° |
| O3 | C14 | N5 | N6 | 178.5° | 180.0° |
| O3 | C14 | N5 | C13 | 146.0° | 167.4° |
| O3 | C14 | N6 | C11 | 166.6° | 174.6° |
| O3 | C14 | N6 | H16 | 13.4° | 5.7° |
| C15 | N5 | C14 | C13 | 170.9° | 179.4° |
| C15 | N5 | C14 | N6 | 153.6° | 168.0° |
| C15 | N5 | C13 | O4 | 4.0° | 4.7° |
| C15 | N5 | C13 | C12 | 177.4° | 175.5° |
| N5 | C15 | H19 | H17 | 120.0° | 120.0° |
| N5 | C15 | H19 | H18 | 120.0° | 120.0° |
| N5 | C15 | H17 | H18 | 120.0° | 119.9° |
| N5 | C14 | N6 | C11 | 14.9° | 5.4° |
| C14 | N5 | C13 | O4 | 166.6° | 175.8° |
| C14 | N5 | C13 | C12 | 12.0° | 3.9° |
| 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 | 165.1° | 174.3° |
| N6 | C14 | N5 | C13 | 35.5° | 12.6° |
| C14 | N6 | C11 | H16 | 180.0° | 179.7° |
| C14 | N6 | C11 | C12 | 24.9° | 35.9° |
| C14 | N6 | C11 | C10 | 97.6° | 84.2° |
| C14 | N6 | C11 | H13 | 144.3° | 155.9° |
| N5 | C13 | O4 | C12 | 178.5° | 179.7° |
| N5 | C13 | C12 | C11 | 30.2° | 34.0° |
| N5 | C13 | C12 | H15 | 90.4° | 86.0° |
| N5 | C13 | C12 | H14 | 150.9° | 153.8° |
| C13 | N5 | C15 | H19 | 8.8° | 179.4° |
| C13 | N5 | C15 | H17 | 111.2° | 60.5° |
| C13 | N5 | C15 | H18 | 128.9° | 59.4° |
| N6 | C11 | C12 | C13 | 47.1° | 46.7° |
| N6 | C11 | C12 | C10 | 120.3° | 120.0° |
| N6 | C11 | C12 | H13 | 120.0° | 120.0° |
| N6 | C11 | C10 | H13 | 118.6° | 119.9° |
| N6 | C11 | C10 | O2 | 15.0° | 20.1° |
| N6 | C11 | C10 | N4 | 164.6° | 159.9° |
| N6 | C11 | C12 | H15 | 73.6° | 73.2° |
| N6 | C11 | C12 | H14 | 167.7° | 166.6° |
| O4 | C13 | C12 | C11 | 151.1° | 145.7° |
| O4 | C13 | C12 | H15 | 88.3° | 94.3° |
| O4 | C13 | C12 | H14 | 30.4° | 25.9° |
| C13 | C12 | C11 | H15 | 120.6° | 119.9° |
| C13 | C12 | C11 | H14 | 120.6° | 119.9° |
| C13 | C12 | C11 | C10 | 73.2° | 73.3° |
| C13 | C12 | H15 | H14 | 118.1° | 120.2° |
| C13 | C12 | C11 | H13 | 167.0° | 166.7° |
| C12 | C11 | C10 | H13 | 119.7° | 120.0° |
| C12 | C11 | C10 | O2 | 106.8° | 100.0° |
| C12 | C11 | C10 | N4 | 73.6° | 80.0° |
| C11 | C12 | H15 | H14 | 118.1° | 120.1° |
| C12 | C11 | N6 | H16 | 155.1° | 143.9° |
| C11 | C10 | O2 | N4 | 179.6° | 180.0° |
| C11 | C10 | N4 | C3 | 176.7° | 180.0° |
| C10 | C11 | C12 | H15 | 166.1° | 166.7° |
| C10 | C11 | C12 | H14 | 47.4° | 46.5° |
| C10 | C11 | N6 | H16 | 82.4° | 96.1° |
| C11 | C10 | N4 | H12 | 3.3° | 0.1° |
| O2 | C10 | N4 | C3 | 3.7° | 0.0° |
| O2 | C10 | C11 | H13 | 133.6° | 140.0° |
| O2 | C10 | N4 | H12 | 176.3° | 180.0° |
| C10 | N4 | C3 | H12 | 180.0° | 180.0° |
| C10 | N4 | C3 | C2 | 60.8° | 86.4° |
| C10 | N4 | C3 | C4 | 174.1° | 161.3° |
| N4 | C10 | C11 | H13 | 46.0° | 40.0° |
| C10 | N4 | C3 | H4 | 64.9° | 37.4° |
| N9 | N8 | N7 | C23 | 0.5° | 0.1° |
| N8 | N9 | N10 | C23 | 0.8° | 0.1° |
| N8 | N9 | N10 | H24 | 179.2° | 179.8° |
| N7 | N8 | N9 | N10 | 0.9° | 0.0° |
| N8 | N7 | C23 | N10 | 0.0° | 0.2° |
| N8 | N7 | C23 | C20 | 176.7° | 180.0° |
| N9 | N10 | C23 | N7 | 0.5° | 0.2° |
| N9 | N10 | C23 | H24 | 180.0° | 179.9° |
| N9 | N10 | C23 | C20 | 176.2° | 180.0° |
| N7 | C23 | N10 | C20 | 176.7° | 179.8° |
| N7 | C23 | C20 | C19 | 172.1° | 0.3° |
| N7 | C23 | C20 | C21 | 6.3° | 179.6° |
| N7 | C23 | N10 | H24 | 179.5° | 179.7° |
| N10 | C23 | C20 | C19 | 4.2° | 180.0° |
| N10 | C23 | C20 | C21 | 177.3° | 0.1° |
| N4 | C3 | C2 | C4 | 118.3° | 118.1° |
| N4 | C3 | C2 | H4 | 126.2° | 123.8° |
| N4 | C3 | C4 | H4 | 121.6° | 123.9° |
| N4 | C3 | C2 | N1 | 153.0° | 81.1° |
| N4 | C3 | C4 | C1 | 164.7° | 82.6° |
| N4 | C3 | C4 | H5 | 76.2° | 35.8° |
| N4 | C3 | C4 | H6 | 45.5° | 159.0° |
| N4 | C3 | C2 | H3 | 33.8° | 37.7° |
| N4 | C3 | C2 | H2 | 87.7° | 160.1° |
| C23 | C20 | C19 | C21 | 178.5° | 179.9° |
| C23 | C20 | C19 | C18 | 179.2° | 180.0° |
| C23 | C20 | C21 | C22 | 178.8° | 179.5° |
| C23 | C20 | C19 | H21 | 0.7° | 0.2° |
| C23 | C20 | C21 | H22 | 1.2° | 0.4° |
| C20 | C23 | N10 | H24 | 3.8° | 0.1° |
| C20 | C19 | C18 | H21 | 180.0° | 179.8° |
| C19 | C20 | C21 | C22 | 0.3° | 0.7° |
| C20 | C19 | C18 | C17 | 1.2° | 0.2° |
| C19 | C20 | C21 | H22 | 179.7° | 179.7° |
| C20 | C19 | C18 | H20 | 178.8° | 179.8° |
| C21 | C20 | C19 | C18 | 0.8° | 0.1° |
| C20 | C21 | C22 | H22 | 180.0° | 179.1° |
| C20 | C21 | C22 | C17 | 0.2° | 0.9° |
| C21 | C20 | C19 | H21 | 179.2° | 179.7° |
| C20 | C21 | C22 | H23 | 179.8° | 179.1° |
| C19 | C18 | C17 | H20 | 180.0° | 180.0° |
| C19 | C18 | C17 | C22 | 1.1° | 0.0° |
| C19 | C18 | C17 | C16 | 179.7° | 180.0° |
| C2 | C3 | C4 | H4 | 115.5° | 118.0° |
| C3 | C2 | N1 | H3 | 119.3° | 118.8° |
| C3 | C2 | N1 | H2 | 119.3° | 118.9° |
| C2 | C3 | C4 | C1 | 41.7° | 35.5° |
| C3 | C2 | N1 | C16 | 168.5° | 155.9° |
| C3 | C2 | N1 | C1 | 15.3° | 24.1° |
| C2 | C3 | C4 | H5 | 160.9° | 153.9° |
| C2 | C3 | C4 | H6 | 77.4° | 82.9° |
| C3 | C2 | H3 | H2 | 122.2° | 122.4° |
| C2 | C3 | N4 | H12 | 119.2° | 93.6° |
| C4 | C3 | C2 | N1 | 34.7° | 37.0° |
| C3 | C4 | C1 | H5 | 119.2° | 118.3° |
| C3 | C4 | C1 | H6 | 119.2° | 118.6° |
| C3 | C4 | C1 | N1 | 32.7° | 22.2° |
| C3 | C4 | C1 | C5 | 93.5° | 141.6° |
| C3 | C4 | H5 | H6 | 122.5° | 123.4° |
| C4 | C3 | C2 | H3 | 84.5° | 155.8° |
| C4 | C3 | C2 | H2 | 154.0° | 81.8° |
| C3 | C4 | C1 | H1 | 148.1° | 97.4° |
| C4 | C3 | N4 | H12 | 5.9° | 18.6° |
| C2 | N1 | C16 | C17 | 30.6° | 5.7° |
| C2 | N1 | C1 | C4 | 10.7° | 1.0° |
| C2 | N1 | C16 | C1 | 151.0° | 180.0° |
| C2 | N1 | C16 | O5 | 150.5° | 174.2° |
| C2 | N1 | C1 | C5 | 109.2° | 118.3° |
| N1 | C2 | H3 | H2 | 122.2° | 122.3° |
| C2 | N1 | C1 | H1 | 125.7° | 120.6° |
| N1 | C2 | C3 | H4 | 80.8° | 155.1° |
| C21 | C22 | C17 | C18 | 0.7° | 0.5° |
| C21 | C22 | C17 | H23 | 180.0° | 180.0° |
| C21 | C22 | C17 | C16 | 179.3° | 179.5° |
| C18 | C17 | C22 | C16 | 178.6° | 180.0° |
| C18 | C17 | C16 | N1 | 51.0° | 24.7° |
| C18 | C17 | C16 | O5 | 128.1° | 155.4° |
| C17 | C18 | C19 | H21 | 178.8° | 180.0° |
| C18 | C17 | C22 | H23 | 179.4° | 179.4° |
| C22 | C17 | C16 | N1 | 130.4° | 155.4° |
| C22 | C17 | C16 | O5 | 50.5° | 24.5° |
| C17 | C22 | C21 | H22 | 179.7° | 179.9° |
| C22 | C17 | C18 | H20 | 178.9° | 180.0° |
| C17 | C16 | N1 | O5 | 178.9° | 179.9° |
| C17 | C16 | N1 | C1 | 178.4° | 174.3° |
| C16 | C17 | C18 | H20 | 0.3° | 0.1° |
| C16 | C17 | C22 | H23 | 0.8° | 0.5° |
| C4 | C1 | N1 | C16 | 144.0° | 178.9° |
| C4 | C1 | N1 | C5 | 119.9° | 119.4° |
| C4 | C1 | N1 | H1 | 115.0° | 119.5° |
| C4 | C1 | C5 | H1 | 118.3° | 121.0° |
| C4 | C1 | C5 | S1 | 108.6° | 74.7° |
| C4 | C1 | C5 | N2 | 69.2° | 105.0° |
| C1 | C4 | H5 | H6 | 122.4° | 123.2° |
| C1 | C4 | C3 | H4 | 73.7° | 153.6° |
| C16 | N1 | C1 | C5 | 96.1° | 61.7° |
| C16 | N1 | C2 | H3 | 49.2° | 37.1° |
| C16 | N1 | C2 | H2 | 72.3° | 85.2° |
| C16 | N1 | C1 | H1 | 29.0° | 59.4° |
| C1 | N1 | C16 | O5 | 0.5° | 5.8° |
| N1 | C1 | C5 | H1 | 125.4° | 121.2° |
| N1 | C1 | C5 | S1 | 7.7° | 43.1° |
| N1 | C1 | C5 | N2 | 174.4° | 137.2° |
| N1 | C1 | C4 | H5 | 151.8° | 140.5° |
| N1 | C1 | C4 | H6 | 86.5° | 96.3° |
| C1 | N1 | C2 | H3 | 104.0° | 142.9° |
| C1 | N1 | C2 | H2 | 134.6° | 94.8° |
| C1 | C5 | S1 | N2 | 178.1° | 179.7° |
| C1 | C5 | S1 | C7 | 176.9° | 179.9° |
| C1 | C5 | N2 | C6 | 176.9° | 180.0° |
| C5 | C1 | C4 | H5 | 25.6° | 100.1° |
| C5 | C1 | C4 | H6 | 147.3° | 23.1° |
| S1 | C5 | N2 | C6 | 1.1° | 0.3° |
| C5 | S1 | C7 | C6 | 0.9° | 0.3° |
| C5 | S1 | C7 | H7 | 179.1° | 180.0° |
| S1 | C5 | C1 | H1 | 133.1° | 164.3° |
| C7 | S1 | C5 | N2 | 1.2° | 0.4° |
| S1 | C7 | C6 | N2 | 0.4° | 0.3° |
| S1 | C7 | C6 | H7 | 180.0° | 179.7° |
| S1 | C7 | C6 | C8 | 178.9° | 179.8° |
| C5 | N2 | C6 | C7 | 0.4° | 0.0° |
| C5 | N2 | C6 | C8 | 178.0° | 180.0° |
| N2 | C5 | C1 | H1 | 49.1° | 16.1° |
| N2 | C6 | C7 | C8 | 178.4° | 180.0° |
| N2 | C6 | C8 | O1 | 122.9° | 180.0° |
| N2 | C6 | C8 | N3 | 56.9° | 0.0° |
| N2 | C6 | C7 | H7 | 179.6° | 180.0° |
| C7 | C6 | C8 | O1 | 55.4° | 0.1° |
| C7 | C6 | C8 | N3 | 124.8° | 180.0° |
| C6 | C8 | O1 | N3 | 179.8° | 179.9° |
| C6 | C8 | N3 | C9 | 96.9° | 180.0° |
| C8 | C6 | C7 | H7 | 1.2° | 0.1° |
| C6 | C8 | N3 | H8 | 83.1° | 0.0° |
| O1 | C8 | N3 | C9 | 83.3° | 0.0° |
| O1 | C8 | N3 | H8 | 96.7° | 180.0° |
| C8 | N3 | C9 | H8 | 180.0° | 180.0° |
| C8 | N3 | C9 | H10 | 180.0° | 60.0° |
| C8 | N3 | C9 | H11 | 60.0° | 60.0° |
| C8 | N3 | C9 | H9 | 60.0° | 180.0° |
| N3 | C9 | H10 | H11 | 120.0° | 120.0° |
| N3 | C9 | H10 | H9 | 120.0° | 119.9° |
| N3 | C9 | H11 | H9 | 120.0° | 120.0° |
| H21 | C19 | C18 | H20 | 1.2° | 0.0° |
| H22 | C21 | C22 | H23 | 0.2° | 0.1° |
| H15 | C12 | C11 | H13 | 46.4° | 46.7° |
| H14 | C12 | C11 | H13 | 72.3° | 73.5° |
| H5 | C4 | C1 | H1 | 92.7° | 21.0° |
| H5 | C4 | C3 | H4 | 45.4° | 88.1° |
| H6 | C4 | C1 | H1 | 28.9° | 144.1° |
| H6 | C4 | C3 | H4 | 167.1° | 35.1° |
| H3 | C2 | C3 | H4 | 159.9° | 86.1° |
| H2 | C2 | C3 | H4 | 38.5° | 36.3° |
| H13 | C11 | N6 | H16 | 35.7° | 23.8° |
| H4 | C3 | N4 | H12 | 115.2° | 142.5° |
| H19 | C15 | H17 | H18 | 120.0° | 120.1° |
| H10 | C9 | H11 | H9 | 120.0° | 120.0° |
| H10 | C9 | N3 | H8 | 0.0° | 120.0° |
| H11 | C9 | N3 | H8 | 120.0° | 120.0° |
| H9 | C9 | N3 | H8 | 120.0° | 0.0° |
