VJL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | C27 | sing | 1.53Å | 1.53Å | |
| C29 | C27 | sing | 1.53Å | 1.53Å | |
| O5 | C26 | doub | 1.21Å | 1.25Å | |
| C27 | N6 | sing | 1.47Å | 1.50Å | |
| C27 | C30 | sing | 1.53Å | 1.53Å | |
| N6 | C26 | sing | 1.33Å | 1.38Å | |
| N6 | CO1 | sing | 1.78Å | 1.88Å | |
| C26 | C23 | sing | 1.52Å | 1.58Å | |
| O6 | C30 | doub | 1.21Å | 1.18Å | |
| C30 | N7 | sing | 1.34Å | 1.36Å | |
| C25 | C23 | sing | 1.53Å | 1.54Å | |
| C23 | C22 | sing | 1.53Å | 1.56Å | |
| C23 | C24 | sing | 1.53Å | 1.55Å | |
| CO1 | N7 | sing | 1.78Å | 1.86Å | |
| CO1 | N5 | sing | 1.80Å | 1.91Å | |
| CO1 | N4 | sing | 1.79Å | 1.85Å | |
| N7 | C15 | sing | 1.40Å | 1.40Å | |
| N5 | C22 | sing | 1.34Å | 1.36Å | |
| N5 | C19 | sing | 1.46Å | 1.47Å | |
| C22 | O4 | doub | 1.21Å | 1.24Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C15 | C14 | doub | 1.40Å | 1.43Å | Aromatic |
| C15 | C16 | sing | 1.42Å | 1.42Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C21 | sing | 1.53Å | 1.53Å | |
| C19 | C18 | sing | 1.57Å | 1.54Å | |
| N4 | C16 | sing | 1.39Å | 1.41Å | |
| N4 | C18 | sing | 1.36Å | 1.38Å | |
| C16 | C17 | doub | 1.40Å | 1.39Å | Aromatic |
| C18 | O3 | doub | 1.21Å | 1.20Å | |
| C13 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C12 | sing | 1.40Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.48Å | 1.50Å | |
| C11 | O2 | doub | 1.22Å | 1.20Å | |
| C11 | N3 | sing | 1.35Å | 1.40Å | |
| N3 | C10 | sing | 1.46Å | 1.55Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | sing | 1.53Å | 1.55Å | |
| C8 | C6 | sing | 1.53Å | 1.49Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C5 | S1 | sing | 1.84Å | 1.81Å | |
| C5 | C2 | sing | 1.54Å | 1.54Å | |
| C4 | S1 | sing | 1.84Å | 1.81Å | |
| C4 | C3 | sing | 1.54Å | 1.57Å | |
| C2 | C3 | sing | 1.53Å | 1.59Å | |
| C2 | N1 | sing | 1.47Å | 1.47Å | |
| C3 | N2 | sing | 1.47Å | 1.45Å | |
| N1 | C1 | sing | 1.34Å | 1.35Å | |
| N2 | C1 | sing | 1.34Å | 1.37Å | |
| C1 | O1 | doub | 1.22Å | 1.22Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C20 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.08Å | 1.08Å | |
| C25 | H12 | sing | 1.09Å | 1.10Å | |
| C25 | H13 | sing | 1.09Å | 1.10Å | |
| C25 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.08Å | 1.08Å | |
| C29 | H16 | sing | 1.09Å | 1.10Å | |
| C29 | H17 | sing | 1.09Å | 1.10Å | |
| C29 | H18 | sing | 1.09Å | 1.10Å | |
| C28 | H19 | sing | 1.09Å | 1.10Å | |
| C28 | H20 | sing | 1.09Å | 1.10Å | |
| C28 | H21 | sing | 1.09Å | 1.10Å | |
| N3 | H22 | sing | 0.97Å | 1.00Å | |
| C10 | H23 | sing | 1.09Å | 1.10Å | |
| C10 | H24 | sing | 1.09Å | 1.10Å | |
| C9 | H25 | sing | 1.09Å | 1.10Å | |
| C9 | H26 | sing | 1.09Å | 1.10Å | |
| C8 | H27 | sing | 1.09Å | 1.10Å | |
| C8 | H28 | sing | 1.09Å | 1.10Å | |
| C6 | H29 | sing | 1.09Å | 1.10Å | |
| C6 | H30 | sing | 1.09Å | 1.10Å | |
| C5 | H31 | sing | 1.09Å | 1.10Å | |
| C2 | H32 | sing | 1.09Å | 1.10Å | |
| N1 | H33 | sing | 0.97Å | 1.00Å | |
| N2 | H34 | sing | 0.97Å | 1.00Å | |
| C3 | H35 | sing | 1.09Å | 1.10Å | |
| C4 | H36 | sing | 1.09Å | 1.10Å | |
| C4 | H37 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | C27 | C29 | 107.5° | 109.1° |
| C28 | C27 | N6 | 119.7° | 109.1° |
| C28 | C27 | C30 | 107.2° | 109.2° |
| C27 | C28 | H19 | 109.5° | 109.5° |
| C27 | C28 | H20 | 109.4° | 109.4° |
| C27 | C28 | H21 | 109.5° | 109.5° |
| C29 | C27 | N6 | 112.3° | 109.1° |
| C29 | C27 | C30 | 107.2° | 109.2° |
| C27 | C29 | H16 | 109.5° | 109.5° |
| C27 | C29 | H17 | 109.4° | 109.5° |
| C27 | C29 | H18 | 109.5° | 109.5° |
| O5 | C26 | N6 | 120.9° | 120.9° |
| O5 | C26 | C23 | 114.8° | 120.9° |
| N6 | C27 | C30 | 102.0° | 111.1° |
| C27 | N6 | C26 | 122.3° | 133.2° |
| C27 | N6 | CO1 | 107.4° | 100.3° |
| C27 | C30 | O6 | 119.1° | 123.8° |
| C27 | C30 | N7 | 110.7° | 112.4° |
| C26 | N6 | CO1 | 119.1° | 122.2° |
| N6 | C26 | C23 | 120.7° | 118.2° |
| N6 | CO1 | N7 | 80.2° | 100.5° |
| N6 | CO1 | N5 | 94.8° | 101.0° |
| N6 | CO1 | N4 | 147.1° | 130.3° |
| C26 | C23 | C25 | 108.9° | 108.0° |
| C26 | C23 | C22 | 120.7° | 116.1° |
| C26 | C23 | C24 | 109.6° | 108.2° |
| O6 | C30 | N7 | 120.4° | 123.8° |
| C30 | N7 | CO1 | 115.7° | 100.3° |
| C30 | N7 | C15 | 125.6° | 154.8° |
| C25 | C23 | C22 | 106.2° | 108.1° |
| C25 | C23 | C24 | 102.8° | 108.0° |
| C23 | C25 | H12 | 109.5° | 109.5° |
| C23 | C25 | H13 | 109.4° | 109.4° |
| C23 | C25 | H14 | 109.5° | 109.4° |
| C22 | C23 | C24 | 107.2° | 108.1° |
| C23 | C22 | N5 | 116.7° | 115.0° |
| C23 | C22 | O4 | 115.3° | 122.5° |
| C23 | C24 | H8 | 109.5° | 109.4° |
| C23 | C24 | H9 | 109.5° | 109.4° |
| C23 | C24 | H10 | 109.5° | 109.5° |
| N7 | CO1 | N5 | 142.4° | 130.5° |
| N7 | CO1 | N4 | 83.4° | 99.7° |
| CO1 | N7 | C15 | 115.4° | 101.0° |
| N5 | CO1 | N4 | 81.2° | 99.4° |
| CO1 | N5 | C22 | 119.3° | 115.8° |
| CO1 | N5 | C19 | 103.4° | 98.5° |
| CO1 | N4 | C16 | 112.2° | 100.0° |
| CO1 | N4 | C18 | 114.2° | 98.2° |
| N7 | C15 | C14 | 130.8° | 122.2° |
| N7 | C15 | C16 | 109.1° | 115.2° |
| C22 | N5 | C19 | 120.9° | 142.5° |
| N5 | C22 | O4 | 124.3° | 122.5° |
| N5 | C19 | C20 | 112.8° | 110.1° |
| N5 | C19 | C21 | 117.0° | 110.1° |
| N5 | C19 | C18 | 99.0° | 106.0° |
| C20 | C19 | C21 | 109.4° | 110.1° |
| C20 | C19 | C18 | 107.9° | 110.2° |
| C19 | C20 | H2 | 109.5° | 109.5° |
| C19 | C20 | H3 | 109.5° | 109.5° |
| C19 | C20 | H4 | 109.5° | 109.5° |
| C14 | C15 | C16 | 120.1° | 120.9° |
| C15 | C14 | C13 | 119.8° | 118.2° |
| C15 | C14 | H11 | 120.1° | 120.9° |
| C15 | C16 | N4 | 114.5° | 116.9° |
| C15 | C16 | C17 | 117.4° | 119.5° |
| C14 | C13 | C12 | 119.8° | 121.1° |
| C14 | C13 | H1 | 120.1° | 119.5° |
| C13 | C14 | H11 | 120.1° | 120.9° |
| C21 | C19 | C18 | 110.0° | 110.3° |
| C19 | C21 | H5 | 109.5° | 109.5° |
| C19 | C21 | H6 | 109.5° | 109.5° |
| C19 | C21 | H7 | 109.5° | 109.5° |
| C19 | C18 | N4 | 109.2° | 106.3° |
| C19 | C18 | O3 | 117.2° | 126.9° |
| C16 | N4 | C18 | 123.7° | 157.5° |
| N4 | C16 | C17 | 128.0° | 123.3° |
| N4 | C18 | O3 | 119.3° | 126.8° |
| C16 | C17 | C12 | 122.8° | 118.2° |
| C16 | C17 | H15 | 118.6° | 120.9° |
| C13 | C12 | C17 | 120.0° | 121.3° |
| C13 | C12 | C11 | 127.0° | 119.3° |
| C12 | C13 | H1 | 120.1° | 119.5° |
| C17 | C12 | C11 | 113.0° | 119.3° |
| C12 | C17 | H15 | 118.6° | 120.9° |
| C12 | C11 | O2 | 113.6° | 120.0° |
| C12 | C11 | N3 | 125.9° | 120.0° |
| O2 | C11 | N3 | 111.0° | 120.0° |
| C11 | N3 | C10 | 107.4° | 120.1° |
| C11 | N3 | H22 | 126.3° | 119.9° |
| N3 | C10 | C9 | 126.1° | 109.5° |
| C10 | N3 | H22 | 126.3° | 120.0° |
| N3 | C10 | H23 | 105.1° | 109.5° |
| N3 | C10 | H24 | 105.2° | 109.4° |
| C10 | C9 | C8 | 115.5° | 109.4° |
| C9 | C10 | H23 | 105.2° | 109.5° |
| C9 | C10 | H24 | 105.2° | 109.5° |
| C10 | C9 | H25 | 108.0° | 109.4° |
| C10 | C9 | H26 | 107.9° | 109.5° |
| C9 | C8 | C6 | 109.9° | 109.4° |
| C8 | C9 | H25 | 107.9° | 109.4° |
| C8 | C9 | H26 | 108.0° | 109.5° |
| C9 | C8 | H27 | 109.4° | 109.5° |
| C9 | C8 | H28 | 109.4° | 109.5° |
| C8 | C6 | C5 | 114.7° | 109.4° |
| C6 | C8 | H27 | 109.4° | 109.5° |
| C6 | C8 | H28 | 109.4° | 109.5° |
| C8 | C6 | H29 | 108.1° | 109.5° |
| C8 | C6 | H30 | 108.2° | 109.4° |
| C6 | C5 | S1 | 112.0° | 110.7° |
| C6 | C5 | C2 | 118.7° | 110.7° |
| C5 | C6 | H29 | 108.1° | 109.5° |
| C5 | C6 | H30 | 108.1° | 109.5° |
| C6 | C5 | H31 | 107.4° | 110.7° |
| S1 | C5 | C2 | 105.5° | 102.7° |
| C5 | S1 | C4 | 90.4° | 94.8° |
| S1 | C5 | H31 | 104.8° | 110.7° |
| C5 | C2 | C3 | 107.7° | 112.4° |
| C5 | C2 | N1 | 110.9° | 109.3° |
| C2 | C5 | H31 | 107.4° | 111.0° |
| C5 | C2 | H32 | 110.7° | 110.2° |
| S1 | C4 | C3 | 105.2° | 102.7° |
| S1 | C4 | H36 | 110.5° | 110.8° |
| S1 | C4 | H37 | 110.5° | 110.7° |
| C4 | C3 | C2 | 108.8° | 112.4° |
| C4 | C3 | N2 | 109.1° | 109.2° |
| C4 | C3 | H35 | 111.9° | 110.5° |
| C3 | C4 | H36 | 110.5° | 110.8° |
| C3 | C4 | H37 | 110.5° | 110.8° |
| C3 | C2 | N1 | 105.5° | 104.0° |
| C2 | C3 | N2 | 101.1° | 104.0° |
| C3 | C2 | H32 | 110.1° | 110.2° |
| C2 | C3 | H35 | 111.6° | 110.3° |
| C2 | N1 | C1 | 108.7° | 109.0° |
| N1 | C2 | H32 | 111.7° | 110.6° |
| C2 | N1 | H33 | 125.7° | 125.5° |
| C3 | N2 | C1 | 112.5° | 109.1° |
| C3 | N2 | H34 | 123.7° | 125.4° |
| N2 | C3 | H35 | 113.8° | 110.3° |
| N1 | C1 | N2 | 112.2° | 113.9° |
| N1 | C1 | O1 | 123.2° | 123.1° |
| C1 | N1 | H33 | 125.7° | 125.5° |
| N2 | C1 | O1 | 124.5° | 123.1° |
| C1 | N2 | H34 | 123.8° | 125.5° |
| H2 | C20 | H3 | 109.5° | 109.4° |
| H2 | C20 | H4 | 109.4° | 109.5° |
| H3 | C20 | H4 | 109.4° | 109.4° |
| H5 | C21 | H6 | 109.5° | 109.5° |
| H5 | C21 | H7 | 109.5° | 109.4° |
| H6 | C21 | H7 | 109.5° | 109.5° |
| H8 | C24 | H9 | 109.5° | 109.4° |
| H8 | C24 | H10 | 109.5° | 109.5° |
| H9 | C24 | H10 | 109.4° | 109.5° |
| H12 | C25 | H13 | 109.5° | 109.5° |
| H12 | C25 | H14 | 109.5° | 109.5° |
| H13 | C25 | H14 | 109.5° | 109.4° |
| H16 | C29 | H17 | 109.5° | 109.5° |
| H16 | C29 | H18 | 109.5° | 109.5° |
| H17 | C29 | H18 | 109.5° | 109.5° |
| H19 | C28 | H20 | 109.5° | 109.5° |
| H19 | C28 | H21 | 109.4° | 109.5° |
| H20 | C28 | H21 | 109.5° | 109.5° |
| H23 | C10 | H24 | 109.5° | 109.5° |
| H25 | C9 | H26 | 109.5° | 109.5° |
| H27 | C8 | H28 | 109.5° | 109.5° |
| H29 | C6 | H30 | 109.4° | 109.5° |
| H36 | C4 | H37 | 109.4° | 110.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | C27 | C29 | N6 | 133.7° | 119.1° |
| C28 | C27 | C29 | C30 | 115.0° | 119.2° |
| C28 | C27 | N6 | C30 | 118.0° | 120.4° |
| C28 | C27 | N6 | C26 | 22.7° | 16.8° |
| C28 | C27 | N6 | CO1 | 166.0° | 139.5° |
| C28 | C27 | C30 | O6 | 5.8° | 17.2° |
| C28 | C27 | C30 | N7 | 151.8° | 162.8° |
| C28 | C27 | C29 | H16 | 180.0° | 59.1° |
| C28 | C27 | C29 | H17 | 60.0° | 60.9° |
| C28 | C27 | C29 | H18 | 60.0° | 179.2° |
| C27 | C28 | H19 | H20 | 120.0° | 120.0° |
| C27 | C28 | H19 | H21 | 120.0° | 120.1° |
| C27 | C28 | H20 | H21 | 120.0° | 120.0° |
| C29 | C27 | N6 | C30 | 114.5° | 120.5° |
| C29 | C27 | N6 | C26 | 150.1° | 102.3° |
| C29 | C27 | N6 | CO1 | 66.6° | 101.4° |
| C29 | C27 | C30 | O6 | 121.0° | 102.0° |
| C29 | C27 | C30 | N7 | 93.0° | 78.0° |
| C27 | C29 | H16 | H17 | 120.0° | 120.0° |
| C27 | C29 | H16 | H18 | 120.0° | 120.0° |
| C27 | C29 | H17 | H18 | 120.0° | 120.0° |
| C29 | C27 | C28 | H19 | 180.0° | 179.2° |
| C29 | C27 | C28 | H20 | 60.0° | 60.9° |
| C29 | C27 | C28 | H21 | 60.0° | 59.1° |
| O5 | C26 | N6 | C27 | 54.9° | 64.4° |
| O5 | C26 | N6 | C23 | 157.5° | 180.0° |
| O5 | C26 | N6 | CO1 | 165.8° | 143.5° |
| O5 | C26 | C23 | C25 | 7.4° | 58.5° |
| O5 | C26 | C23 | C22 | 130.5° | 179.9° |
| O5 | C26 | C23 | C24 | 104.4° | 58.2° |
| C27 | N6 | C26 | CO1 | 139.2° | 152.1° |
| C27 | N6 | C26 | C23 | 147.5° | 115.6° |
| N6 | C27 | C30 | O6 | 120.8° | 137.6° |
| N6 | C27 | C30 | N7 | 25.2° | 42.4° |
| C27 | N6 | CO1 | N7 | 44.1° | 1.9° |
| C27 | N6 | CO1 | N5 | 173.5° | 133.2° |
| C27 | N6 | CO1 | N4 | 105.2° | 114.3° |
| N6 | C27 | C29 | H16 | 46.3° | 60.0° |
| N6 | C27 | C29 | H17 | 73.7° | 180.0° |
| N6 | C27 | C29 | H18 | 166.3° | 60.1° |
| N6 | C27 | C28 | H19 | 50.3° | 60.0° |
| N6 | C27 | C28 | H20 | 170.4° | 180.0° |
| N6 | C27 | C28 | H21 | 69.6° | 60.0° |
| C30 | C27 | N6 | C26 | 95.4° | 137.2° |
| C30 | C27 | N6 | CO1 | 47.9° | 19.1° |
| C27 | C30 | O6 | N7 | 142.6° | 180.0° |
| C27 | C30 | N7 | CO1 | 8.3° | 38.9° |
| C27 | C30 | N7 | C15 | 150.1° | 108.2° |
| C30 | C27 | C29 | H16 | 65.0° | 178.4° |
| C30 | C27 | C29 | H17 | 175.0° | 58.4° |
| C30 | C27 | C29 | H18 | 55.0° | 61.6° |
| C30 | C27 | C28 | H19 | 65.0° | 61.6° |
| C30 | C27 | C28 | H20 | 55.0° | 58.4° |
| C30 | C27 | C28 | H21 | 175.0° | 178.3° |
| N6 | C26 | C23 | C25 | 151.4° | 121.5° |
| N6 | C26 | C23 | C22 | 28.3° | 0.1° |
| N6 | C26 | C23 | C24 | 96.8° | 121.8° |
| C26 | N6 | CO1 | N7 | 100.6° | 161.7° |
| C26 | N6 | CO1 | N5 | 41.8° | 26.5° |
| C26 | N6 | CO1 | N4 | 39.5° | 85.9° |
| CO1 | N6 | C26 | C23 | 8.3° | 36.5° |
| N6 | CO1 | N7 | C30 | 30.2° | 24.2° |
| N6 | CO1 | N7 | N5 | 85.1° | 114.4° |
| N6 | CO1 | N7 | N4 | 151.4° | 134.3° |
| N6 | CO1 | N5 | N4 | 147.1° | 134.4° |
| N6 | CO1 | N7 | C15 | 130.4° | 142.1° |
| N6 | CO1 | N5 | C22 | 56.3° | 21.5° |
| N6 | CO1 | N5 | C19 | 166.0° | 143.1° |
| N6 | CO1 | N4 | C16 | 40.2° | 105.3° |
| N6 | CO1 | N4 | C18 | 107.0° | 88.0° |
| C26 | C23 | C25 | C22 | 131.4° | 126.4° |
| C26 | C23 | C25 | C24 | 116.2° | 116.8° |
| C26 | C23 | C22 | C24 | 126.3° | 121.8° |
| C26 | C23 | C22 | N5 | 14.8° | 50.7° |
| C26 | C23 | C22 | O4 | 174.1° | 129.3° |
| C26 | C23 | C24 | H8 | 180.0° | 66.5° |
| C26 | C23 | C24 | H9 | 60.0° | 53.4° |
| C26 | C23 | C24 | H10 | 60.0° | 173.4° |
| C26 | C23 | C25 | H12 | 180.0° | 173.5° |
| C26 | C23 | C25 | H13 | 60.0° | 53.5° |
| C26 | C23 | C25 | H14 | 60.0° | 66.4° |
| O6 | C30 | N7 | CO1 | 153.7° | 141.1° |
| O6 | C30 | N7 | C15 | 4.6° | 71.8° |
| C30 | N7 | CO1 | C15 | 160.6° | 166.4° |
| C30 | N7 | CO1 | N5 | 115.3° | 90.2° |
| C30 | N7 | CO1 | N4 | 178.3° | 158.5° |
| C30 | N7 | C15 | C14 | 4.8° | 40.0° |
| C30 | N7 | C15 | C16 | 174.8° | 124.9° |
| C25 | C23 | C22 | C24 | 109.3° | 116.7° |
| C25 | C23 | C22 | N5 | 139.2° | 70.9° |
| C25 | C23 | C22 | O4 | 61.5° | 109.1° |
| C25 | C23 | C24 | H8 | 64.3° | 176.8° |
| C25 | C23 | C24 | H9 | 175.7° | 63.3° |
| C25 | C23 | C24 | H10 | 55.7° | 56.7° |
| C23 | C25 | H12 | H13 | 120.0° | 120.0° |
| C23 | C25 | H12 | H14 | 120.0° | 120.0° |
| C23 | C25 | H13 | H14 | 120.0° | 119.9° |
| C23 | C22 | N5 | CO1 | 32.1° | 57.9° |
| C23 | C22 | N5 | O4 | 157.2° | 180.0° |
| C23 | C22 | N5 | C19 | 162.3° | 96.4° |
| C22 | C23 | C24 | H8 | 47.4° | 60.0° |
| C22 | C23 | C24 | H9 | 72.7° | 180.0° |
| C22 | C23 | C24 | H10 | 167.4° | 60.0° |
| C22 | C23 | C25 | H12 | 48.6° | 60.0° |
| C22 | C23 | C25 | H13 | 168.6° | 180.0° |
| C22 | C23 | C25 | H14 | 71.4° | 60.1° |
| C24 | C23 | C22 | N5 | 111.5° | 172.4° |
| C24 | C23 | C22 | O4 | 47.8° | 7.6° |
| C23 | C24 | H8 | H9 | 120.0° | 119.9° |
| C23 | C24 | H8 | H10 | 120.0° | 120.1° |
| C23 | C24 | H9 | H10 | 120.0° | 120.1° |
| C24 | C23 | C25 | H12 | 63.8° | 56.7° |
| C24 | C23 | C25 | H13 | 56.2° | 63.3° |
| C24 | C23 | C25 | H14 | 176.2° | 176.8° |
| N7 | CO1 | N5 | N4 | 67.0° | 111.4° |
| N7 | CO1 | N5 | C22 | 23.8° | 92.7° |
| N7 | CO1 | N5 | C19 | 113.9° | 102.8° |
| CO1 | N7 | C15 | C14 | 163.2° | 173.0° |
| CO1 | N7 | C15 | C16 | 16.4° | 22.1° |
| N7 | CO1 | N4 | C16 | 20.1° | 7.5° |
| N7 | CO1 | N4 | C18 | 167.3° | 159.2° |
| N5 | CO1 | N7 | C15 | 45.3° | 103.5° |
| CO1 | N5 | C22 | C19 | 130.3° | 154.4° |
| CO1 | N5 | C22 | O4 | 125.1° | 122.1° |
| CO1 | N5 | C19 | C20 | 55.6° | 155.2° |
| CO1 | N5 | C19 | C21 | 176.1° | 83.2° |
| CO1 | N5 | C19 | C18 | 58.2° | 36.1° |
| N5 | CO1 | N4 | C16 | 125.5° | 141.6° |
| N5 | CO1 | N4 | C18 | 21.7° | 25.1° |
| N4 | CO1 | N7 | C15 | 21.1° | 7.8° |
| N4 | CO1 | N5 | C22 | 90.8° | 155.9° |
| N4 | CO1 | N5 | C19 | 46.9° | 8.7° |
| CO1 | N4 | C16 | C15 | 16.4° | 22.2° |
| CO1 | N4 | C18 | C19 | 8.0° | 49.2° |
| CO1 | N4 | C16 | C18 | 143.6° | 143.7° |
| CO1 | N4 | C16 | C17 | 163.5° | 164.6° |
| CO1 | N4 | C18 | O3 | 130.6° | 130.5° |
| N7 | C15 | C14 | C16 | 179.6° | 164.1° |
| N7 | C15 | C14 | C13 | 180.0° | 156.6° |
| N7 | C15 | C16 | N4 | 0.2° | 32.7° |
| N7 | C15 | C16 | C17 | 179.7° | 153.8° |
| N7 | C15 | C14 | H11 | 0.1° | 23.5° |
| C22 | N5 | C19 | C20 | 167.6° | 1.6° |
| C22 | N5 | C19 | C21 | 39.3° | 120.0° |
| C22 | N5 | C19 | C18 | 78.6° | 120.7° |
| C19 | N5 | C22 | O4 | 5.1° | 83.5° |
| N5 | C19 | C20 | C21 | 132.1° | 121.6° |
| N5 | C19 | C20 | C18 | 108.3° | 116.5° |
| N5 | C19 | C21 | C18 | 111.8° | 116.6° |
| N5 | C19 | C18 | N4 | 42.9° | 62.7° |
| N5 | C19 | C18 | O3 | 96.7° | 116.9° |
| N5 | C19 | C20 | H2 | 180.0° | 60.0° |
| N5 | C19 | C20 | H3 | 60.0° | 180.0° |
| N5 | C19 | C20 | H4 | 60.0° | 60.1° |
| N5 | C19 | C21 | H5 | 180.0° | 179.1° |
| N5 | C19 | C21 | H6 | 60.0° | 59.1° |
| N5 | C19 | C21 | H7 | 60.0° | 60.9° |
| C20 | C19 | C21 | C18 | 118.3° | 121.8° |
| C20 | C19 | C18 | N4 | 74.7° | 178.2° |
| C20 | C19 | C18 | O3 | 145.7° | 2.1° |
| C19 | C20 | H2 | H3 | 120.0° | 120.0° |
| C19 | C20 | H2 | H4 | 120.0° | 120.0° |
| C19 | C20 | H3 | H4 | 120.0° | 120.0° |
| C20 | C19 | C21 | H5 | 50.1° | 59.3° |
| C20 | C19 | C21 | H6 | 170.1° | 179.3° |
| C20 | C19 | C21 | H7 | 69.9° | 60.7° |
| C15 | C14 | C13 | H11 | 180.0° | 179.9° |
| C14 | C15 | C16 | N4 | 179.9° | 162.2° |
| C14 | C15 | C16 | C17 | 0.0° | 11.3° |
| C15 | C14 | C13 | C12 | 0.3° | 0.1° |
| C15 | C14 | C13 | H1 | 179.8° | 179.7° |
| C16 | C15 | C14 | C13 | 0.3° | 7.5° |
| C15 | C16 | N4 | C17 | 179.9° | 173.2° |
| C15 | C16 | N4 | C18 | 160.0° | 121.4° |
| C15 | C16 | C17 | C12 | 0.9° | 7.2° |
| C16 | C15 | C14 | H11 | 179.7° | 172.4° |
| C15 | C16 | C17 | H15 | 179.1° | 172.2° |
| C14 | C13 | C12 | H1 | 180.0° | 179.8° |
| C14 | C13 | C12 | C17 | 1.1° | 4.0° |
| C14 | C13 | C12 | C11 | 179.9° | 176.1° |
| C21 | C19 | C18 | N4 | 166.0° | 56.5° |
| C21 | C19 | C18 | O3 | 26.4° | 123.9° |
| C21 | C19 | C20 | H2 | 47.9° | 178.4° |
| C21 | C19 | C20 | H3 | 72.2° | 58.4° |
| C21 | C19 | C20 | H4 | 167.9° | 61.6° |
| C19 | C21 | H5 | H6 | 120.0° | 120.0° |
| C19 | C21 | H5 | H7 | 120.0° | 120.0° |
| C19 | C21 | H6 | H7 | 120.0° | 120.0° |
| C19 | C18 | N4 | C16 | 151.0° | 94.7° |
| C19 | C18 | N4 | O3 | 138.7° | 179.6° |
| C18 | C19 | C20 | H2 | 71.7° | 56.6° |
| C18 | C19 | C20 | H3 | 168.2° | 63.4° |
| C18 | C19 | C20 | H4 | 48.3° | 176.6° |
| C18 | C19 | C21 | H5 | 68.2° | 62.5° |
| C18 | C19 | C21 | H6 | 51.8° | 57.5° |
| C18 | C19 | C21 | H7 | 171.8° | 177.5° |
| C16 | N4 | C18 | O3 | 12.3° | 85.7° |
| N4 | C16 | C17 | C12 | 179.2° | 165.8° |
| N4 | C16 | C17 | H15 | 0.8° | 14.8° |
| C18 | N4 | C16 | C17 | 19.9° | 51.8° |
| C16 | C17 | C12 | C13 | 1.5° | 0.2° |
| C16 | C17 | C12 | H15 | 180.0° | 179.4° |
| C16 | C17 | C12 | C11 | 179.6° | 179.9° |
| C13 | C12 | C17 | C11 | 179.0° | 179.9° |
| C13 | C12 | C11 | O2 | 164.6° | 179.9° |
| C13 | C12 | C11 | N3 | 52.5° | 0.1° |
| C12 | C13 | C14 | H11 | 179.7° | 180.0° |
| C13 | C12 | C17 | H15 | 178.5° | 179.6° |
| C17 | C12 | C11 | O2 | 14.3° | 0.1° |
| C17 | C12 | C11 | N3 | 128.6° | 180.0° |
| C17 | C12 | C13 | H1 | 178.9° | 175.8° |
| C12 | C11 | O2 | N3 | 148.5° | 180.0° |
| C12 | C11 | N3 | C10 | 149.3° | 180.0° |
| C11 | C12 | C13 | H1 | 0.1° | 4.1° |
| C11 | C12 | C17 | H15 | 0.5° | 0.5° |
| C12 | C11 | N3 | H22 | 30.7° | 0.0° |
| O2 | C11 | N3 | C10 | 5.5° | 0.0° |
| O2 | C11 | N3 | H22 | 174.4° | 180.0° |
| C11 | N3 | C10 | H22 | 180.0° | 180.0° |
| C11 | N3 | C10 | C9 | 72.8° | 180.0° |
| C11 | N3 | C10 | H23 | 49.4° | 60.0° |
| C11 | N3 | C10 | H24 | 164.9° | 60.0° |
| N3 | C10 | C9 | H23 | 122.2° | 120.0° |
| N3 | C10 | C9 | H24 | 122.2° | 120.0° |
| N3 | C10 | C9 | C8 | 34.8° | 180.0° |
| N3 | C10 | H23 | H24 | 112.5° | 119.9° |
| N3 | C10 | C9 | H25 | 86.1° | 60.1° |
| N3 | C10 | C9 | H26 | 155.7° | 60.0° |
| C10 | C9 | C8 | H25 | 120.9° | 119.9° |
| C10 | C9 | C8 | H26 | 120.9° | 120.0° |
| C10 | C9 | C8 | C6 | 176.9° | 180.0° |
| C9 | C10 | N3 | H22 | 107.2° | 0.0° |
| C9 | C10 | H23 | H24 | 112.6° | 120.1° |
| C10 | C9 | H25 | H26 | 117.2° | 120.1° |
| C10 | C9 | C8 | H27 | 63.1° | 60.0° |
| C10 | C9 | C8 | H28 | 56.8° | 60.0° |
| C9 | C8 | C6 | H27 | 120.0° | 120.0° |
| C9 | C8 | C6 | H28 | 120.1° | 120.0° |
| C9 | C8 | C6 | C5 | 168.3° | NaN° |
| C8 | C9 | C10 | H23 | 157.0° | 60.0° |
| C8 | C9 | C10 | H24 | 87.5° | 60.0° |
| C8 | C9 | H25 | H26 | 117.3° | 120.0° |
| C9 | C8 | H27 | H28 | 119.8° | 120.0° |
| C9 | C8 | C6 | H29 | 47.5° | 60.0° |
| C9 | C8 | C6 | H30 | 70.9° | 60.0° |
| C8 | C6 | C5 | H29 | 120.8° | 120.0° |
| C8 | C6 | C5 | H30 | 120.8° | 119.9° |
| C8 | C6 | C5 | S1 | 70.2° | 66.5° |
| C8 | C6 | C5 | C2 | 166.4° | 179.7° |
| C6 | C8 | C9 | H25 | 56.0° | 60.0° |
| C6 | C8 | C9 | H26 | 62.2° | 60.0° |
| C6 | C8 | H27 | H28 | 119.8° | 120.0° |
| C8 | C6 | H29 | H30 | 117.6° | 120.0° |
| C8 | C6 | C5 | H31 | 44.4° | 56.8° |
| C6 | C5 | S1 | C2 | 130.5° | 118.3° |
| C6 | C5 | S1 | H31 | 116.2° | 123.2° |
| C6 | C5 | C2 | H31 | 122.0° | 123.4° |
| C6 | C5 | S1 | C4 | 174.3° | 153.0° |
| C6 | C5 | C2 | C3 | 160.0° | 142.9° |
| C6 | C5 | C2 | N1 | 45.0° | 28.0° |
| C5 | C6 | C8 | H27 | 71.7° | 60.0° |
| C5 | C6 | C8 | H28 | 48.2° | 60.0° |
| C5 | C6 | H29 | H30 | 117.6° | 120.0° |
| C6 | C5 | C2 | H32 | 79.6° | 93.7° |
| S1 | C5 | C2 | H31 | 111.5° | 118.4° |
| C5 | S1 | C4 | C3 | 40.6° | 34.7° |
| S1 | C5 | C2 | C3 | 33.4° | 24.7° |
| S1 | C5 | C2 | N1 | 81.6° | 90.3° |
| S1 | C5 | C6 | H29 | 169.0° | 173.5° |
| S1 | C5 | C6 | H30 | 50.6° | 53.5° |
| S1 | C5 | C2 | H32 | 153.9° | 148.1° |
| C5 | S1 | C4 | H36 | 160.0° | 83.6° |
| C5 | S1 | C4 | H37 | 78.7° | 153.0° |
| C2 | C5 | S1 | C4 | 43.8° | 34.7° |
| C5 | C2 | C3 | C4 | 4.3° | 0.0° |
| C5 | C2 | C3 | N1 | 118.5° | 118.1° |
| C5 | C2 | C3 | H32 | 120.8° | 123.4° |
| C5 | C2 | N1 | H32 | 124.0° | 121.4° |
| C5 | C2 | C3 | N2 | 119.2° | 118.1° |
| C5 | C2 | N1 | C1 | 117.0° | 120.2° |
| C2 | C5 | C6 | H29 | 45.6° | 60.3° |
| C2 | C5 | C6 | H30 | 72.8° | 59.8° |
| C5 | C2 | N1 | H33 | 63.0° | 59.8° |
| C5 | C2 | C3 | H35 | 119.6° | 123.7° |
| S1 | C4 | C3 | H36 | 119.4° | 118.3° |
| S1 | C4 | C3 | H37 | 119.3° | 118.3° |
| S1 | C4 | C3 | C2 | 26.4° | 24.6° |
| S1 | C4 | C3 | N2 | 83.1° | 90.3° |
| C4 | S1 | C5 | H31 | 69.5° | 83.8° |
| S1 | C4 | C3 | H35 | 150.1° | 148.2° |
| S1 | C4 | H36 | H37 | 121.9° | 123.3° |
| C4 | C3 | C2 | N2 | 114.8° | 118.0° |
| C4 | C3 | C2 | H35 | 123.9° | 123.7° |
| C4 | C3 | C2 | N1 | 114.2° | 118.0° |
| C4 | C3 | N2 | H35 | 125.7° | 121.6° |
| C4 | C3 | N2 | C1 | 114.1° | 120.2° |
| C4 | C3 | C2 | H32 | 125.1° | 123.4° |
| C4 | C3 | N2 | H34 | 65.9° | 59.9° |
| C3 | C4 | H36 | H37 | 122.0° | 123.4° |
| C3 | C2 | N1 | H32 | 119.6° | 118.3° |
| C2 | C3 | N2 | H35 | 119.7° | 118.2° |
| C3 | C2 | N1 | C1 | 0.6° | 0.0° |
| C2 | C3 | N2 | C1 | 0.5° | 0.0° |
| C3 | C2 | C5 | H31 | 78.0° | 93.7° |
| C3 | C2 | N1 | H33 | 179.4° | 180.0° |
| C2 | C3 | N2 | H34 | 179.5° | 180.0° |
| C2 | C3 | C4 | H36 | 145.7° | 93.7° |
| C2 | C3 | C4 | H37 | 92.9° | 142.9° |
| N1 | C2 | C3 | N2 | 0.7° | 0.0° |
| C2 | N1 | C1 | H33 | 180.0° | 180.0° |
| C2 | N1 | C1 | N2 | 0.4° | 0.0° |
| C2 | N1 | C1 | O1 | 177.2° | 180.0° |
| N1 | C2 | C5 | H31 | 167.0° | 151.4° |
| N1 | C2 | C3 | H35 | 121.9° | 118.2° |
| C3 | N2 | C1 | N1 | 0.1° | 0.0° |
| C3 | N2 | C1 | H34 | 180.0° | 179.9° |
| C3 | N2 | C1 | O1 | 176.6° | 180.0° |
| N2 | C3 | C2 | H32 | 120.0° | 118.6° |
| N2 | C3 | C4 | H36 | 36.2° | 151.4° |
| N2 | C3 | C4 | H37 | 157.6° | 28.0° |
| N1 | C1 | N2 | O1 | 176.8° | 180.0° |
| C1 | N1 | C2 | H32 | 119.0° | 118.3° |
| N1 | C1 | N2 | H34 | 179.9° | 180.0° |
| N2 | C1 | N1 | H33 | 179.7° | 180.0° |
| C1 | N2 | C3 | H35 | 120.2° | 118.2° |
| O1 | C1 | N1 | H33 | 2.9° | 0.1° |
| O1 | C1 | N2 | H34 | 3.4° | 0.1° |
| H1 | C13 | C14 | H11 | 0.3° | 0.2° |
| H2 | C20 | H3 | H4 | 120.0° | 120.0° |
| H5 | C21 | H6 | H7 | 120.0° | 120.0° |
| H8 | C24 | H9 | H10 | 120.0° | 120.0° |
| H12 | C25 | H13 | H14 | 120.0° | 120.1° |
| H16 | C29 | H17 | H18 | 120.0° | 120.0° |
| H19 | C28 | H20 | H21 | 120.0° | 120.0° |
| H22 | N3 | C10 | H23 | 130.6° | 120.0° |
| H22 | N3 | C10 | H24 | 15.1° | 120.0° |
| H23 | C10 | C9 | H25 | 36.1° | 180.0° |
| H23 | C10 | C9 | H26 | 82.1° | 60.0° |
| H24 | C10 | C9 | H25 | 151.6° | 59.9° |
| H24 | C10 | C9 | H26 | 33.4° | 180.0° |
| H25 | C9 | C8 | H27 | 176.0° | 180.0° |
| H25 | C9 | C8 | H28 | 64.1° | 60.0° |
| H26 | C9 | C8 | H27 | 57.8° | 60.0° |
| H26 | C9 | C8 | H28 | 177.7° | 180.0° |
| H27 | C8 | C6 | H29 | 167.5° | 180.0° |
| H27 | C8 | C6 | H30 | 49.1° | 60.0° |
| H28 | C8 | C6 | H29 | 72.6° | 60.0° |
| H28 | C8 | C6 | H30 | 169.0° | 180.0° |
| H29 | C6 | C5 | H31 | 76.4° | 63.2° |
| H30 | C6 | C5 | H31 | 165.2° | 176.7° |
| H31 | C5 | C2 | H32 | 42.4° | 29.7° |
| H32 | C2 | N1 | H33 | 61.0° | 61.6° |
| H32 | C2 | C3 | H35 | 1.2° | 0.3° |
| H34 | N2 | C3 | H35 | 59.8° | 61.8° |
| H35 | C3 | C4 | H36 | 90.5° | 29.9° |
| H35 | C3 | C4 | H37 | 30.8° | 93.5° |
