ST7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.41Å | Aromatic |
| C24 | C13 | doub | 1.38Å | 1.41Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.51Å | 1.50Å | |
| C11 | C14 | sing | 1.51Å | 1.50Å | |
| C11 | N1 | sing | 1.47Å | 1.49Å | |
| C15 | C14 | doub | 1.38Å | 1.41Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C19 | sing | 1.38Å | 1.41Å | Aromatic |
| C12 | N1 | sing | 1.46Å | 1.48Å | |
| C16 | C17 | doub | 1.38Å | 1.41Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.41Å | Aromatic |
| N1 | C1 | sing | 1.35Å | 1.30Å | |
| C9 | N6 | sing | 1.47Å | 1.48Å | |
| O3 | C8 | doub | 1.22Å | 1.23Å | |
| C1 | O2 | doub | 1.21Å | 1.23Å | |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| N6 | C8 | sing | 1.35Å | 1.32Å | |
| C8 | N4 | sing | 1.35Å | 1.36Å | |
| C2 | N2 | sing | 1.47Å | 1.54Å | |
| C2 | C4 | sing | 1.53Å | 1.49Å | |
| N2 | C3 | sing | 1.35Å | 1.30Å | |
| N5 | C7 | doub | 1.30Å | 1.37Å | |
| C10 | C3 | sing | 1.51Å | 1.59Å | |
| C10 | N7 | sing | 1.46Å | 1.46Å | |
| C3 | O1 | doub | 1.21Å | 1.24Å | |
| N4 | C7 | sing | 1.38Å | 1.35Å | |
| C7 | N3 | sing | 1.37Å | 1.35Å | |
| N8 | N7 | sing | 1.29Å | 1.26Å | Aromatic |
| N8 | N9 | doub | 1.29Å | 1.23Å | Aromatic |
| C5 | C4 | sing | 1.53Å | 1.54Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| N7 | C26 | sing | 1.35Å | 1.33Å | Aromatic |
| N3 | C6 | sing | 1.46Å | 1.51Å | |
| N9 | C25 | sing | 1.34Å | 1.37Å | Aromatic |
| C26 | C25 | doub | 1.35Å | 1.33Å | Aromatic |
| C26 | C27 | sing | 1.51Å | 1.54Å | |
| C27 | O4 | sing | 1.43Å | 1.46Å | |
| O4 | N11 | sing | 1.42Å | 1.40Å | |
| N11 | C28 | doub | 1.29Å | 1.35Å | |
| C28 | C29 | sing | 1.47Å | 1.41Å | |
| C33 | C29 | doub | 1.39Å | 1.38Å | Aromatic |
| C33 | C32 | sing | 1.39Å | 1.39Å | Aromatic |
| C29 | C30 | sing | 1.46Å | 1.39Å | Aromatic |
| C32 | N10 | doub | 1.31Å | 1.30Å | Aromatic |
| C30 | C34 | doub | 1.40Å | 1.40Å | Aromatic |
| C30 | C31 | sing | 1.42Å | 1.42Å | Aromatic |
| N10 | C31 | sing | 1.34Å | 1.37Å | Aromatic |
| C34 | C35 | sing | 1.36Å | 1.37Å | Aromatic |
| C31 | C37 | doub | 1.41Å | 1.39Å | Aromatic |
| C35 | C36 | doub | 1.39Å | 1.39Å | Aromatic |
| C37 | C36 | sing | 1.36Å | 1.38Å | Aromatic |
| C9 | H1 | sing | 1.09Å | 1.10Å | |
| C9 | H2 | sing | 1.09Å | 1.10Å | |
| C9 | H3 | sing | 1.09Å | 1.10Å | |
| N6 | H4 | sing | 0.97Å | 1.00Å | |
| N4 | H5 | sing | 0.97Å | 1.00Å | |
| N5 | H6 | sing | 0.97Å | 1.00Å | |
| N3 | H7 | sing | 0.97Å | 1.00Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C4 | H12 | sing | 1.09Å | 1.10Å | |
| C4 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.08Å | 1.08Å | |
| C21 | H18 | sing | 1.08Å | 1.08Å | |
| C22 | H19 | sing | 1.08Å | 1.08Å | |
| C23 | H20 | sing | 1.08Å | 1.08Å | |
| C24 | H21 | sing | 1.08Å | 1.08Å | |
| C11 | H22 | sing | 1.09Å | 1.10Å | |
| C11 | H23 | sing | 1.09Å | 1.10Å | |
| C15 | H24 | sing | 1.08Å | 1.08Å | |
| C16 | H25 | sing | 1.08Å | 1.08Å | |
| C17 | H26 | sing | 1.08Å | 1.08Å | |
| C18 | H27 | sing | 1.08Å | 1.08Å | |
| C19 | H28 | sing | 1.08Å | 1.08Å | |
| N2 | H29 | sing | 0.97Å | 1.00Å | |
| C10 | H30 | sing | 1.09Å | 1.10Å | |
| C10 | H31 | sing | 1.09Å | 1.10Å | |
| C25 | H32 | sing | 1.08Å | 1.08Å | |
| C27 | H33 | sing | 1.09Å | 1.10Å | |
| C27 | H34 | sing | 1.09Å | 1.10Å | |
| C28 | H35 | sing | 1.08Å | 1.08Å | |
| C34 | H36 | sing | 1.08Å | 1.08Å | |
| C35 | H37 | sing | 1.08Å | 1.08Å | |
| C36 | H38 | sing | 1.08Å | 1.08Å | |
| C37 | H39 | sing | 1.08Å | 1.08Å | |
| C32 | H40 | sing | 1.08Å | 1.08Å | |
| C33 | H41 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C23 | C24 | 115.9° | 120.1° |
| C23 | C22 | C21 | 124.7° | 120.0° |
| C23 | C22 | H19 | 117.7° | 120.1° |
| C22 | C23 | H20 | 122.1° | 120.0° |
| C23 | C24 | C13 | 119.1° | 119.9° |
| C24 | C23 | H20 | 122.1° | 119.9° |
| C23 | C24 | H21 | 120.5° | 120.0° |
| C22 | C21 | C20 | 119.5° | 120.0° |
| C22 | C21 | H18 | 120.3° | 120.0° |
| C21 | C22 | H19 | 117.7° | 120.0° |
| C24 | C13 | C20 | 125.1° | 120.0° |
| C24 | C13 | C12 | 118.8° | 120.0° |
| C13 | C24 | H21 | 120.4° | 120.0° |
| C21 | C20 | C13 | 115.6° | 120.0° |
| C21 | C20 | H17 | 122.2° | 120.0° |
| C20 | C21 | H18 | 120.2° | 120.0° |
| C20 | C13 | C12 | 116.1° | 120.0° |
| C13 | C20 | H17 | 122.2° | 120.0° |
| C13 | C12 | N1 | 111.0° | 109.5° |
| C13 | C12 | H15 | 109.1° | 109.5° |
| C13 | C12 | H16 | 109.1° | 109.5° |
| C14 | C11 | N1 | 115.7° | 109.5° |
| C11 | C14 | C15 | 121.5° | 120.0° |
| C11 | C14 | C19 | 118.0° | 120.0° |
| C14 | C11 | H22 | 107.9° | 109.5° |
| C14 | C11 | H23 | 107.9° | 109.5° |
| C11 | N1 | C12 | 119.1° | 120.0° |
| C11 | N1 | C1 | 125.1° | 120.0° |
| N1 | C11 | H22 | 107.9° | 109.5° |
| N1 | C11 | H23 | 107.9° | 109.5° |
| C14 | C15 | C16 | 116.1° | 120.0° |
| C15 | C14 | C19 | 120.5° | 120.0° |
| C14 | C15 | H24 | 121.9° | 120.0° |
| C15 | C16 | C17 | 124.1° | 120.0° |
| C16 | C15 | H24 | 122.0° | 120.0° |
| C15 | C16 | H25 | 118.0° | 120.0° |
| C14 | C19 | C18 | 122.3° | 120.0° |
| C14 | C19 | H28 | 118.8° | 120.0° |
| C12 | N1 | C1 | 115.7° | 120.0° |
| N1 | C12 | H15 | 109.1° | 109.5° |
| N1 | C12 | H16 | 109.1° | 109.5° |
| C16 | C17 | C18 | 118.5° | 120.0° |
| C17 | C16 | H25 | 117.9° | 119.9° |
| C16 | C17 | H26 | 120.7° | 120.0° |
| C19 | C18 | C17 | 118.4° | 120.0° |
| C19 | C18 | H27 | 120.8° | 120.0° |
| C18 | C19 | H28 | 118.8° | 119.9° |
| C18 | C17 | H26 | 120.7° | 120.0° |
| C17 | C18 | H27 | 120.8° | 120.0° |
| N1 | C1 | O2 | 119.6° | 120.0° |
| N1 | C1 | C2 | 116.5° | 120.0° |
| C9 | N6 | C8 | 122.3° | 120.0° |
| N6 | C9 | H1 | 109.5° | 109.5° |
| N6 | C9 | H2 | 109.5° | 109.4° |
| N6 | C9 | H3 | 109.4° | 109.4° |
| C9 | N6 | H4 | 118.9° | 119.9° |
| O3 | C8 | N6 | 122.9° | 120.0° |
| O3 | C8 | N4 | 121.5° | 120.0° |
| O2 | C1 | C2 | 122.7° | 120.0° |
| C1 | C2 | N2 | 100.4° | 109.5° |
| C1 | C2 | C4 | 114.9° | 109.5° |
| C1 | C2 | H14 | 109.2° | 109.5° |
| N6 | C8 | N4 | 115.2° | 120.0° |
| C8 | N6 | H4 | 118.9° | 120.0° |
| C8 | N4 | C7 | 126.9° | 120.0° |
| C8 | N4 | H5 | 116.5° | 120.0° |
| N2 | C2 | C4 | 113.4° | 109.5° |
| C2 | N2 | C3 | 127.2° | 120.0° |
| N2 | C2 | H14 | 108.9° | 109.4° |
| C2 | N2 | H29 | 116.4° | 120.0° |
| C2 | C4 | C5 | 110.0° | 109.4° |
| C2 | C4 | H12 | 109.3° | 109.4° |
| C2 | C4 | H13 | 109.3° | 109.4° |
| C4 | C2 | H14 | 109.7° | 109.5° |
| N2 | C3 | C10 | 115.2° | 120.0° |
| N2 | C3 | O1 | 120.7° | 120.0° |
| C3 | N2 | H29 | 116.4° | 120.0° |
| N5 | C7 | N4 | 122.4° | 120.0° |
| N5 | C7 | N3 | 121.8° | 120.0° |
| C7 | N5 | H6 | 112.0° | 120.0° |
| C3 | C10 | N7 | 105.9° | 109.5° |
| C10 | C3 | O1 | 124.1° | 120.0° |
| C3 | C10 | H30 | 110.4° | 109.5° |
| C3 | C10 | H31 | 110.4° | 109.5° |
| C10 | N7 | N8 | 123.4° | 125.9° |
| C10 | N7 | C26 | 124.1° | 125.9° |
| N7 | C10 | H30 | 110.3° | 109.5° |
| N7 | C10 | H31 | 110.4° | 109.4° |
| N4 | C7 | N3 | 115.0° | 120.0° |
| C7 | N4 | H5 | 116.6° | 120.0° |
| C7 | N3 | C6 | 125.1° | 120.0° |
| C7 | N3 | H7 | 117.5° | 120.0° |
| N7 | N8 | N9 | 109.9° | 110.3° |
| N8 | N7 | C26 | 112.2° | 108.2° |
| N8 | N9 | C25 | 107.7° | 108.8° |
| C4 | C5 | C6 | 116.5° | 109.4° |
| C4 | C5 | H10 | 107.7° | 109.5° |
| C4 | C5 | H11 | 107.7° | 109.5° |
| C5 | C4 | H12 | 109.3° | 109.5° |
| C5 | C4 | H13 | 109.3° | 109.5° |
| C5 | C6 | N3 | 104.1° | 109.4° |
| C5 | C6 | H8 | 110.8° | 109.5° |
| C5 | C6 | H9 | 110.8° | 109.4° |
| C6 | C5 | H10 | 107.7° | 109.5° |
| C6 | C5 | H11 | 107.7° | 109.4° |
| N7 | C26 | C25 | 102.6° | 106.2° |
| N7 | C26 | C27 | 127.7° | 126.9° |
| C6 | N3 | H7 | 117.4° | 120.1° |
| N3 | C6 | H8 | 110.8° | 109.5° |
| N3 | C6 | H9 | 110.8° | 109.5° |
| N9 | C25 | C26 | 107.5° | 106.5° |
| N9 | C25 | H32 | 126.3° | 126.7° |
| C25 | C26 | C27 | 129.6° | 126.9° |
| C26 | C25 | H32 | 126.3° | 126.8° |
| C26 | C27 | O4 | 110.1° | 109.5° |
| C26 | C27 | H33 | 109.3° | 109.5° |
| C26 | C27 | H34 | 109.3° | 109.4° |
| C27 | O4 | N11 | 121.5° | 114.0° |
| O4 | C27 | H33 | 109.3° | 109.5° |
| O4 | C27 | H34 | 109.3° | 109.5° |
| O4 | N11 | C28 | 120.2° | 120.0° |
| N11 | C28 | C29 | 125.8° | 120.0° |
| N11 | C28 | H35 | 117.1° | 120.0° |
| C28 | C29 | C33 | 121.6° | 121.4° |
| C28 | C29 | C30 | 123.0° | 121.4° |
| C29 | C28 | H35 | 117.1° | 120.0° |
| C29 | C33 | C32 | 124.5° | 119.5° |
| C33 | C29 | C30 | 115.4° | 117.2° |
| C29 | C33 | H41 | 117.7° | 120.4° |
| C33 | C32 | N10 | 119.9° | 122.6° |
| C33 | C32 | H40 | 120.0° | 118.7° |
| C32 | C33 | H41 | 117.8° | 120.2° |
| C29 | C30 | C34 | 119.1° | 121.6° |
| C29 | C30 | C31 | 118.6° | 118.5° |
| C32 | N10 | C31 | 118.9° | 122.5° |
| N10 | C32 | H40 | 120.0° | 118.8° |
| C34 | C30 | C31 | 122.3° | 119.9° |
| C30 | C34 | C35 | 117.1° | 119.6° |
| C30 | C34 | H36 | 121.4° | 120.2° |
| C30 | C31 | N10 | 122.7° | 119.8° |
| C30 | C31 | C37 | 118.6° | 118.9° |
| N10 | C31 | C37 | 118.7° | 121.2° |
| C34 | C35 | C36 | 121.3° | 120.8° |
| C35 | C34 | H36 | 121.4° | 120.3° |
| C34 | C35 | H37 | 119.3° | 119.6° |
| C31 | C37 | C36 | 118.5° | 119.7° |
| C31 | C37 | H39 | 120.7° | 120.1° |
| C35 | C36 | C37 | 122.1° | 121.1° |
| C36 | C35 | H37 | 119.3° | 119.6° |
| C35 | C36 | H38 | 119.0° | 119.4° |
| C37 | C36 | H38 | 118.9° | 119.5° |
| C36 | C37 | H39 | 120.7° | 120.2° |
| H1 | C9 | H2 | 109.5° | 109.5° |
| H1 | C9 | H3 | 109.5° | 109.5° |
| H2 | C9 | H3 | 109.5° | 109.5° |
| H8 | C6 | H9 | 109.5° | 109.5° |
| H10 | C5 | H11 | 109.5° | 109.5° |
| H12 | C4 | H13 | 109.5° | 109.5° |
| H15 | C12 | H16 | 109.5° | 109.4° |
| H22 | C11 | H23 | 109.5° | 109.4° |
| H30 | C10 | H31 | 109.4° | 109.5° |
| H33 | C27 | H34 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C23 | C24 | H20 | 180.0° | 179.8° |
| C23 | C22 | C21 | H19 | 180.0° | 180.0° |
| C22 | C23 | C24 | C13 | 0.3° | 0.6° |
| C23 | C22 | C21 | C20 | 2.9° | 0.0° |
| C23 | C22 | C21 | H18 | 177.1° | 180.0° |
| C22 | C23 | C24 | H21 | 179.7° | 180.0° |
| C24 | C23 | C22 | C21 | 0.4° | 0.3° |
| C23 | C24 | C13 | H21 | 180.0° | 179.4° |
| C23 | C24 | C13 | C20 | 1.6° | 0.6° |
| C23 | C24 | C13 | C12 | 179.5° | 179.7° |
| C24 | C23 | C22 | H19 | 179.6° | 179.7° |
| C22 | C21 | C20 | H18 | 180.0° | 180.0° |
| C22 | C21 | C20 | C13 | 4.3° | 0.0° |
| C22 | C21 | C20 | H17 | 175.7° | 179.9° |
| C21 | C22 | C23 | H20 | 179.6° | 180.0° |
| C24 | C13 | C20 | C21 | 3.9° | 0.3° |
| C24 | C13 | C20 | C12 | 179.0° | 179.7° |
| C24 | C13 | C12 | N1 | 103.7° | 96.6° |
| C24 | C13 | C12 | H15 | 16.5° | 143.4° |
| C24 | C13 | C12 | H16 | 136.1° | 23.4° |
| C24 | C13 | C20 | H17 | 176.1° | 179.8° |
| C13 | C24 | C23 | H20 | 179.7° | 179.6° |
| C21 | C20 | C13 | H17 | 180.0° | 179.9° |
| C21 | C20 | C13 | C12 | 177.2° | 180.0° |
| C20 | C21 | C22 | H19 | 177.1° | 180.0° |
| C20 | C13 | C12 | N1 | 75.4° | 83.7° |
| C20 | C13 | C12 | H15 | 164.4° | 36.3° |
| C20 | C13 | C12 | H16 | 44.9° | 156.3° |
| C13 | C20 | C21 | H18 | 175.7° | 180.0° |
| C20 | C13 | C24 | H21 | 178.5° | 180.0° |
| C13 | C12 | N1 | C11 | 60.6° | 84.3° |
| C13 | C12 | N1 | H15 | 120.2° | 120.0° |
| C13 | C12 | N1 | H16 | 120.2° | 120.1° |
| C13 | C12 | N1 | C1 | 122.6° | 95.7° |
| C13 | C12 | H15 | H16 | 119.3° | 120.0° |
| C12 | C13 | C20 | H17 | 2.9° | 0.1° |
| C12 | C13 | C24 | H21 | 0.5° | 0.3° |
| C14 | C11 | N1 | H22 | 120.9° | 120.0° |
| C14 | C11 | N1 | H23 | 120.9° | 120.0° |
| C11 | C14 | C15 | C19 | 178.7° | 179.7° |
| C11 | C14 | C15 | C16 | 179.6° | 180.0° |
| C14 | C11 | N1 | C12 | 127.6° | 90.0° |
| C11 | C14 | C19 | C18 | 179.8° | 179.8° |
| C14 | C11 | N1 | C1 | 56.0° | 90.0° |
| C14 | C11 | H22 | H23 | 117.2° | 119.9° |
| C11 | C14 | C15 | H24 | 0.4° | 0.1° |
| C11 | C14 | C19 | H28 | 0.2° | 0.1° |
| N1 | C11 | C14 | C15 | 42.9° | 89.7° |
| N1 | C11 | C14 | C19 | 138.4° | 89.9° |
| C11 | N1 | C12 | C1 | 176.8° | 180.0° |
| C11 | N1 | C1 | O2 | 179.5° | 4.8° |
| C11 | N1 | C1 | C2 | 11.5° | 175.2° |
| C11 | N1 | C12 | H15 | 59.6° | 35.7° |
| C11 | N1 | C12 | H16 | 179.2° | 155.6° |
| N1 | C11 | H22 | H23 | 117.2° | 120.0° |
| C14 | C15 | C16 | H24 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 1.1° | 0.1° |
| C15 | C14 | C19 | C18 | 1.5° | 0.6° |
| C15 | C14 | C11 | H22 | 163.8° | 150.3° |
| C15 | C14 | C11 | H23 | 78.0° | 30.3° |
| C14 | C15 | C16 | H25 | 178.9° | 180.0° |
| C15 | C14 | C19 | H28 | 178.5° | 179.7° |
| C16 | C15 | C14 | C19 | 1.8° | 0.3° |
| C15 | C16 | C17 | H25 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.1° | 0.0° |
| C15 | C16 | C17 | H26 | 179.9° | 179.9° |
| C14 | C19 | C18 | H28 | 180.0° | 179.7° |
| C14 | C19 | C18 | C17 | 0.4° | 0.5° |
| C19 | C14 | C11 | H22 | 17.5° | 30.1° |
| C19 | C14 | C11 | H23 | 100.7° | 150.0° |
| C19 | C14 | C15 | H24 | 178.3° | 179.7° |
| C14 | C19 | C18 | H27 | 179.6° | 179.7° |
| C12 | N1 | C1 | O2 | 2.9° | 175.2° |
| C12 | N1 | C1 | C2 | 165.0° | 4.8° |
| N1 | C12 | H15 | H16 | 119.4° | 119.9° |
| C12 | N1 | C11 | H22 | 111.5° | 30.0° |
| C12 | N1 | C11 | H23 | 6.7° | 150.0° |
| C16 | C17 | C18 | C19 | 0.3° | 0.3° |
| C16 | C17 | C18 | H26 | 180.0° | 179.9° |
| C17 | C16 | C15 | H24 | 178.9° | 180.0° |
| C16 | C17 | C18 | H27 | 179.7° | 180.0° |
| C19 | C18 | C17 | H27 | 180.0° | 179.7° |
| C19 | C18 | C17 | H26 | 179.7° | 179.8° |
| C18 | C17 | C16 | H25 | 179.9° | 180.0° |
| C17 | C18 | C19 | H28 | 179.6° | 179.8° |
| N1 | C1 | O2 | C2 | 167.2° | 180.0° |
| N1 | C1 | C2 | N2 | 84.0° | 140.3° |
| N1 | C1 | C2 | C4 | 154.0° | 99.7° |
| N1 | C1 | C2 | H14 | 30.4° | 20.3° |
| C1 | N1 | C12 | H15 | 117.2° | 144.3° |
| C1 | N1 | C12 | H16 | 2.4° | 24.4° |
| C1 | N1 | C11 | H22 | 64.9° | 150.0° |
| C1 | N1 | C11 | H23 | 176.9° | 30.0° |
| C9 | N6 | C8 | O3 | 1.5° | 0.1° |
| C9 | N6 | C8 | H4 | 180.0° | 180.0° |
| C9 | N6 | C8 | N4 | 174.0° | 180.0° |
| N6 | C9 | H1 | H2 | 120.0° | 120.0° |
| N6 | C9 | H1 | H3 | 120.0° | 120.0° |
| N6 | C9 | H2 | H3 | 120.0° | 120.0° |
| O3 | C8 | N6 | N4 | 172.5° | 179.9° |
| O3 | C8 | N4 | C7 | 13.0° | 0.0° |
| O3 | C8 | N6 | H4 | 178.5° | 180.0° |
| O3 | C8 | N4 | H5 | 167.0° | 180.0° |
| O2 | C1 | C2 | N2 | 83.5° | 39.7° |
| O2 | C1 | C2 | C4 | 38.5° | 80.3° |
| O2 | C1 | C2 | H14 | 162.1° | 159.7° |
| C1 | C2 | N2 | C4 | 123.1° | 120.0° |
| C1 | C2 | N2 | H14 | 114.6° | 120.0° |
| C1 | C2 | C4 | H14 | 123.4° | 120.0° |
| C1 | C2 | N2 | C3 | 151.9° | 85.0° |
| C1 | C2 | C4 | C5 | 67.1° | 174.2° |
| C1 | C2 | C4 | H12 | 172.8° | 54.2° |
| C1 | C2 | C4 | H13 | 53.0° | 65.8° |
| C1 | C2 | N2 | H29 | 28.0° | 95.0° |
| N6 | C8 | N4 | C7 | 174.4° | 179.9° |
| C8 | N6 | C9 | H1 | 180.0° | 180.0° |
| C8 | N6 | C9 | H2 | 60.0° | 60.0° |
| C8 | N6 | C9 | H3 | 60.0° | 60.0° |
| N6 | C8 | N4 | H5 | 5.6° | 0.0° |
| C8 | N4 | C7 | N5 | 11.2° | 0.1° |
| C8 | N4 | C7 | H5 | 180.0° | 180.0° |
| C8 | N4 | C7 | N3 | 179.3° | 180.0° |
| N4 | C8 | N6 | H4 | 6.0° | 0.0° |
| N2 | C2 | C4 | H14 | 122.0° | 120.0° |
| C2 | N2 | C3 | H29 | 180.0° | 180.0° |
| C2 | N2 | C3 | C10 | 170.7° | 180.0° |
| C2 | N2 | C3 | O1 | 10.2° | 0.0° |
| N2 | C2 | C4 | C5 | 178.3° | 65.8° |
| N2 | C2 | C4 | H12 | 58.2° | 174.2° |
| N2 | C2 | C4 | H13 | 61.7° | 54.2° |
| C4 | C2 | N2 | C3 | 85.0° | 155.0° |
| C2 | C4 | C5 | H12 | 120.1° | 120.0° |
| C2 | C4 | C5 | H13 | 120.1° | 120.0° |
| C2 | C4 | C5 | C6 | 160.3° | 175.0° |
| C2 | C4 | C5 | H10 | 78.7° | 65.0° |
| C2 | C4 | C5 | H11 | 39.3° | 55.1° |
| C2 | C4 | H12 | H13 | 119.8° | 120.0° |
| C4 | C2 | N2 | H29 | 95.0° | 25.0° |
| N2 | C3 | C10 | O1 | 179.0° | 180.0° |
| N2 | C3 | C10 | N7 | 151.4° | 180.0° |
| C3 | N2 | C2 | H14 | 37.4° | 35.0° |
| N2 | C3 | C10 | H30 | 89.1° | 60.0° |
| N2 | C3 | C10 | H31 | 32.0° | 60.0° |
| N5 | C7 | N4 | N3 | 169.5° | 179.9° |
| N5 | C7 | N3 | C6 | 12.6° | 0.0° |
| N5 | C7 | N4 | H5 | 168.8° | 180.0° |
| N5 | C7 | N3 | H7 | 167.4° | 180.0° |
| C3 | C10 | N7 | H30 | 119.5° | 120.0° |
| C3 | C10 | N7 | H31 | 119.5° | 120.0° |
| C3 | C10 | N7 | N8 | 75.3° | 89.7° |
| C3 | C10 | N7 | C26 | 98.4° | 90.0° |
| C10 | C3 | N2 | H29 | 9.3° | 0.0° |
| C3 | C10 | H30 | H31 | 121.6° | 120.0° |
| N7 | C10 | C3 | O1 | 27.6° | 0.0° |
| C10 | N7 | N8 | C26 | 174.3° | 179.7° |
| C10 | N7 | N8 | N9 | 174.2° | 179.9° |
| C10 | N7 | C26 | C25 | 174.6° | 179.9° |
| C10 | N7 | C26 | C27 | 4.0° | 0.0° |
| N7 | C10 | H30 | H31 | 121.6° | 120.0° |
| O1 | C3 | N2 | H29 | 169.8° | 180.0° |
| O1 | C3 | C10 | H30 | 91.8° | 120.0° |
| O1 | C3 | C10 | H31 | 147.1° | 120.0° |
| N4 | C7 | N3 | C6 | 177.8° | 180.0° |
| N4 | C7 | N5 | H6 | 168.8° | 180.0° |
| N4 | C7 | N3 | H7 | 2.2° | 0.1° |
| C7 | N3 | C6 | C5 | 81.2° | 180.0° |
| C7 | N3 | C6 | H7 | 180.0° | 180.0° |
| N3 | C7 | N4 | H5 | 0.7° | 0.0° |
| N3 | C7 | N5 | H6 | 0.0° | 0.1° |
| C7 | N3 | C6 | H8 | 37.9° | 60.0° |
| C7 | N3 | C6 | H9 | 159.6° | 60.0° |
| N7 | N8 | N9 | C25 | 0.5° | 0.0° |
| N8 | N7 | C26 | C25 | 0.3° | 0.4° |
| N8 | N7 | C26 | C27 | 178.3° | 179.7° |
| N8 | N7 | C10 | H30 | 44.2° | 150.3° |
| N8 | N7 | C10 | H31 | 165.3° | 30.3° |
| N9 | N8 | N7 | C26 | 0.1° | 0.2° |
| N8 | N9 | C25 | C26 | 0.6° | 0.3° |
| N8 | N9 | C25 | H32 | 179.4° | 180.0° |
| C4 | C5 | C6 | H10 | 121.0° | 120.0° |
| C4 | C5 | C6 | H11 | 121.0° | 120.0° |
| C4 | C5 | C6 | N3 | 165.1° | 175.0° |
| C4 | C5 | C6 | H8 | 75.7° | 55.0° |
| C4 | C5 | C6 | H9 | 46.0° | 65.0° |
| C4 | C5 | H10 | H11 | 116.8° | 120.0° |
| C5 | C4 | H12 | H13 | 119.7° | 120.1° |
| C5 | C4 | C2 | H14 | 56.3° | 54.2° |
| C5 | C6 | N3 | H8 | 119.1° | 120.0° |
| C5 | C6 | N3 | H9 | 119.1° | 119.9° |
| C5 | C6 | N3 | H7 | 98.8° | 0.0° |
| C5 | C6 | H8 | H9 | 122.5° | 120.0° |
| C6 | C5 | H10 | H11 | 116.8° | 120.0° |
| C6 | C5 | C4 | H12 | 40.2° | 55.0° |
| C6 | C5 | C4 | H13 | 79.6° | 65.0° |
| N7 | C26 | C25 | N9 | 0.5° | 0.4° |
| N7 | C26 | C25 | C27 | 178.5° | 179.9° |
| N7 | C26 | C27 | O4 | 72.0° | 180.0° |
| C26 | N7 | C10 | H30 | 142.1° | 30.0° |
| C26 | N7 | C10 | H31 | 21.1° | 150.0° |
| N7 | C26 | C25 | H32 | 179.5° | 179.9° |
| N7 | C26 | C27 | H33 | 168.0° | 60.0° |
| N7 | C26 | C27 | H34 | 48.1° | 60.0° |
| N3 | C6 | H8 | H9 | 122.5° | 120.1° |
| N3 | C6 | C5 | H10 | 44.1° | 65.0° |
| N3 | C6 | C5 | H11 | 73.9° | 55.1° |
| N9 | C25 | C26 | H32 | 180.0° | 179.7° |
| N9 | C25 | C26 | C27 | 178.0° | 179.7° |
| C25 | C26 | C27 | O4 | 106.2° | 0.1° |
| C25 | C26 | C27 | H33 | 13.9° | 120.2° |
| C25 | C26 | C27 | H34 | 133.7° | 119.9° |
| C26 | C27 | O4 | H33 | 120.1° | 120.0° |
| C26 | C27 | O4 | H34 | 120.1° | 120.0° |
| C26 | C27 | O4 | N11 | 67.3° | 180.0° |
| C27 | C26 | C25 | H32 | 2.0° | 0.0° |
| C26 | C27 | H33 | H34 | 119.7° | 120.0° |
| C27 | O4 | N11 | C28 | 174.2° | 180.0° |
| O4 | C27 | H33 | H34 | 119.7° | 120.0° |
| O4 | N11 | C28 | C29 | 177.7° | 180.0° |
| N11 | O4 | C27 | H33 | 52.8° | 60.0° |
| N11 | O4 | C27 | H34 | 172.6° | 60.0° |
| O4 | N11 | C28 | H35 | 2.3° | 0.0° |
| N11 | C28 | C29 | H35 | 180.0° | 179.9° |
| N11 | C28 | C29 | C33 | 125.8° | 174.7° |
| N11 | C28 | C29 | C30 | 53.8° | 5.5° |
| C28 | C29 | C33 | C30 | 179.6° | 179.8° |
| C28 | C29 | C33 | C32 | 179.8° | 179.7° |
| C28 | C29 | C30 | C34 | 0.5° | 0.0° |
| C28 | C29 | C30 | C31 | 180.0° | 180.0° |
| C28 | C29 | C33 | H41 | 0.2° | 0.0° |
| C29 | C33 | C32 | H41 | 180.0° | 179.7° |
| C29 | C33 | C32 | N10 | 0.8° | 0.6° |
| C33 | C29 | C30 | C34 | 179.1° | 179.7° |
| C33 | C29 | C30 | C31 | 0.4° | 0.3° |
| C33 | C29 | C28 | H35 | 54.2° | 5.3° |
| C29 | C33 | C32 | H40 | 179.2° | 179.7° |
| C32 | C33 | C29 | C30 | 0.6° | 0.5° |
| C33 | C32 | N10 | H40 | 180.0° | 179.8° |
| C33 | C32 | N10 | C31 | 0.8° | 0.3° |
| C29 | C30 | C34 | C31 | 179.5° | 180.0° |
| C29 | C30 | C31 | N10 | 0.5° | 0.0° |
| C29 | C30 | C34 | C35 | 179.0° | 180.0° |
| C29 | C30 | C31 | C37 | 179.7° | 180.0° |
| C30 | C29 | C28 | H35 | 126.2° | 174.4° |
| C29 | C30 | C34 | H36 | 1.0° | 0.0° |
| C30 | C29 | C33 | H41 | 179.4° | 179.7° |
| C32 | N10 | C31 | C30 | 0.7° | 0.0° |
| C32 | N10 | C31 | C37 | 179.5° | 180.0° |
| N10 | C32 | C33 | H41 | 179.2° | 179.7° |
| C34 | C30 | C31 | N10 | 179.0° | 180.0° |
| C30 | C34 | C35 | H36 | 180.0° | 180.0° |
| C34 | C30 | C31 | C37 | 0.8° | 0.0° |
| C30 | C34 | C35 | C36 | 1.3° | 0.0° |
| C30 | C34 | C35 | H37 | 178.7° | 180.0° |
| C30 | C31 | N10 | C37 | 179.8° | 180.0° |
| C31 | C30 | C34 | C35 | 1.5° | 0.0° |
| C30 | C31 | C37 | C36 | 0.2° | 0.0° |
| C31 | C30 | C34 | H36 | 178.5° | 180.0° |
| C30 | C31 | C37 | H39 | 179.8° | 180.0° |
| N10 | C31 | C37 | C36 | 180.0° | 180.0° |
| N10 | C31 | C37 | H39 | 0.0° | 0.0° |
| C31 | N10 | C32 | H40 | 179.2° | 179.9° |
| C34 | C35 | C36 | H37 | 180.0° | 180.0° |
| C34 | C35 | C36 | C37 | 0.4° | 0.0° |
| C34 | C35 | C36 | H38 | 179.6° | 180.0° |
| C31 | C37 | C36 | C35 | 0.4° | 0.0° |
| C31 | C37 | C36 | H39 | 180.0° | 180.0° |
| C31 | C37 | C36 | H38 | 179.6° | 180.0° |
| C35 | C36 | C37 | H38 | 180.0° | 180.0° |
| C36 | C35 | C34 | H36 | 178.7° | 180.0° |
| C35 | C36 | C37 | H39 | 179.6° | 180.0° |
| C37 | C36 | C35 | H37 | 179.6° | 180.0° |
| H1 | C9 | H2 | H3 | 120.0° | 120.1° |
| H1 | C9 | N6 | H4 | 0.0° | 0.0° |
| H2 | C9 | N6 | H4 | 120.0° | 120.0° |
| H3 | C9 | N6 | H4 | 120.0° | 120.0° |
| H7 | N3 | C6 | H8 | 142.1° | 119.9° |
| H7 | N3 | C6 | H9 | 20.4° | 120.0° |
| H8 | C6 | C5 | H10 | 163.3° | 175.0° |
| H8 | C6 | C5 | H11 | 45.3° | 64.9° |
| H9 | C6 | C5 | H10 | 75.0° | 55.0° |
| H9 | C6 | C5 | H11 | 167.0° | 175.1° |
| H10 | C5 | C4 | H12 | 161.2° | 175.1° |
| H10 | C5 | C4 | H13 | 41.4° | 55.0° |
| H11 | C5 | C4 | H12 | 80.8° | 64.9° |
| H11 | C5 | C4 | H13 | 159.4° | 175.0° |
| H12 | C4 | C2 | H14 | 63.8° | 65.8° |
| H13 | C4 | C2 | H14 | 176.3° | 174.2° |
| H14 | C2 | N2 | H29 | 142.6° | 145.0° |
| H17 | C20 | C21 | H18 | 4.3° | 0.1° |
| H18 | C21 | C22 | H19 | 2.9° | 0.0° |
| H19 | C22 | C23 | H20 | 0.4° | 0.1° |
| H20 | C23 | C24 | H21 | 0.3° | 0.2° |
| H24 | C15 | C16 | H25 | 1.1° | 0.0° |
| H25 | C16 | C17 | H26 | 0.1° | 0.1° |
| H26 | C17 | C18 | H27 | 0.3° | 0.1° |
| H27 | C18 | C19 | H28 | 0.4° | 0.0° |
| H36 | C34 | C35 | H37 | 1.3° | 0.0° |
| H37 | C35 | C36 | H38 | 0.3° | 0.0° |
| H38 | C36 | C37 | H39 | 0.4° | 0.0° |
| H40 | C32 | C33 | H41 | 0.8° | 0.1° |
