T3B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C21 | sing | 1.53Å | 0.00Å | |
| C21 | C27 | sing | 1.51Å | 0.00Å | |
| C21 | C1 | sing | 1.53Å | 0.00Å | |
| O1 | C27 | doub | 1.21Å | 0.00Å | |
| C27 | N3 | sing | 1.35Å | 0.00Å | |
| N3 | C30 | sing | 1.38Å | 0.00Å | |
| C30 | N2 | doub | 1.30Å | 0.00Å | Aromatic |
| C30 | S1 | sing | 1.71Å | 0.00Å | Aromatic |
| N2 | C19 | sing | 1.31Å | 0.00Å | Aromatic |
| C19 | C26 | doub | 1.37Å | 0.00Å | Aromatic |
| S1 | C26 | sing | 1.76Å | 0.00Å | Aromatic |
| C26 | C28 | sing | 1.46Å | 0.00Å | |
| C28 | N1 | sing | 1.35Å | 0.00Å | |
| C28 | O2 | doub | 1.22Å | 0.00Å | |
| N1 | C17 | sing | 1.46Å | 0.00Å | |
| C17 | C18 | sing | 1.53Å | 0.00Å | |
| C18 | N5 | sing | 1.47Å | 0.00Å | |
| C9 | C5 | doub | 1.38Å | 0.00Å | Aromatic |
| C9 | C22 | sing | 1.38Å | 0.00Å | Aromatic |
| C5 | C3 | sing | 1.38Å | 0.00Å | Aromatic |
| C20 | N5 | sing | 1.47Å | 0.00Å | |
| C20 | C22 | sing | 1.51Å | 0.00Å | |
| N5 | C29 | sing | 1.35Å | 0.00Å | |
| C22 | C10 | doub | 1.38Å | 0.00Å | Aromatic |
| C3 | C6 | doub | 1.38Å | 0.00Å | Aromatic |
| C29 | O3 | doub | 1.22Å | 0.00Å | |
| C29 | C23 | sing | 1.48Å | 0.00Å | |
| C10 | C6 | sing | 1.38Å | 0.00Å | Aromatic |
| C14 | C23 | doub | 1.40Å | 0.00Å | Aromatic |
| C14 | C16 | sing | 1.38Å | 0.00Å | Aromatic |
| C23 | C13 | sing | 1.40Å | 0.00Å | Aromatic |
| C16 | C25 | doub | 1.38Å | 0.00Å | Aromatic |
| C13 | C15 | doub | 1.38Å | 0.00Å | Aromatic |
| C25 | C15 | sing | 1.38Å | 0.00Å | Aromatic |
| C25 | S2 | sing | 1.76Å | 0.00Å | |
| O4 | S2 | doub | 1.42Å | 0.00Å | |
| S2 | O5 | doub | 1.42Å | 0.00Å | |
| S2 | N4 | sing | 1.66Å | 0.00Å | |
| C7 | C11 | doub | 1.38Å | 0.00Å | Aromatic |
| C7 | C4 | sing | 1.38Å | 0.00Å | Aromatic |
| C11 | C24 | sing | 1.39Å | 0.00Å | Aromatic |
| C4 | C8 | doub | 1.38Å | 0.00Å | Aromatic |
| C24 | N4 | sing | 1.40Å | 0.00Å | |
| C24 | C12 | doub | 1.39Å | 0.00Å | Aromatic |
| C8 | C12 | sing | 1.38Å | 0.00Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 0.00Å | |
| C14 | H2 | sing | 1.08Å | 0.00Å | |
| C5 | H3 | sing | 1.08Å | 0.00Å | |
| C6 | H4 | sing | 1.08Å | 0.00Å | |
| C11 | H5 | sing | 1.08Å | 0.00Å | |
| C7 | H6 | sing | 1.08Å | 0.00Å | |
| C8 | H7 | sing | 1.08Å | 0.00Å | |
| C9 | H8 | sing | 1.08Å | 0.00Å | |
| C10 | H9 | sing | 1.08Å | 0.00Å | |
| C12 | H10 | sing | 1.08Å | 0.00Å | |
| C13 | H11 | sing | 1.08Å | 0.00Å | |
| N1 | H12 | sing | 0.97Å | 0.00Å | |
| C3 | H13 | sing | 1.08Å | 0.00Å | |
| N3 | H14 | sing | 0.97Å | 0.00Å | |
| C1 | H15 | sing | 1.09Å | 0.00Å | |
| C1 | H16 | sing | 1.09Å | 0.00Å | |
| C1 | H17 | sing | 1.09Å | 0.00Å | |
| C2 | H18 | sing | 1.09Å | 0.00Å | |
| C2 | H19 | sing | 1.09Å | 0.00Å | |
| C2 | H20 | sing | 1.09Å | 0.00Å | |
| C15 | H21 | sing | 1.08Å | 0.00Å | |
| C16 | H22 | sing | 1.08Å | 0.00Å | |
| C17 | H23 | sing | 1.09Å | 0.00Å | |
| C17 | H24 | sing | 1.09Å | 0.00Å | |
| C18 | H25 | sing | 1.09Å | 0.00Å | |
| C18 | H26 | sing | 1.09Å | 0.00Å | |
| C19 | H27 | sing | 1.08Å | 0.00Å | |
| C20 | H28 | sing | 1.09Å | 0.00Å | |
| C20 | H29 | sing | 1.09Å | 0.00Å | |
| C21 | H30 | sing | 1.09Å | 0.00Å | |
| N4 | H31 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C21 | C27 | 90.0° | 109.5° |
| C2 | C21 | C1 | 90.0° | 109.5° |
| C21 | C2 | H18 | 90.0° | 109.4° |
| C21 | C2 | H19 | 90.0° | 109.5° |
| C21 | C2 | H20 | 90.0° | 109.4° |
| C2 | C21 | H30 | 90.0° | 109.5° |
| C27 | C21 | C1 | 90.0° | 109.5° |
| C21 | C27 | O1 | 90.0° | 120.0° |
| C21 | C27 | N3 | 90.0° | 120.0° |
| C27 | C21 | H30 | 90.0° | 109.5° |
| C21 | C1 | H15 | 90.0° | 109.5° |
| C21 | C1 | H16 | 90.0° | 109.5° |
| C21 | C1 | H17 | 90.0° | 109.5° |
| C1 | C21 | H30 | 90.0° | 109.5° |
| O1 | C27 | N3 | 90.0° | 120.0° |
| C27 | N3 | C30 | 90.0° | 120.0° |
| C27 | N3 | H14 | 90.0° | 120.0° |
| N3 | C30 | N2 | 90.0° | 124.7° |
| N3 | C30 | S1 | 90.0° | 124.7° |
| C30 | N3 | H14 | 90.0° | 120.0° |
| N2 | C30 | S1 | 90.0° | 110.5° |
| C30 | N2 | C19 | 90.0° | 117.3° |
| C30 | S1 | C26 | 90.0° | 90.4° |
| N2 | C19 | C26 | 90.0° | 114.0° |
| N2 | C19 | H27 | 90.0° | 123.0° |
| C19 | C26 | S1 | 90.0° | 107.7° |
| C19 | C26 | C28 | 90.0° | 126.1° |
| C26 | C19 | H27 | 90.0° | 123.0° |
| S1 | C26 | C28 | 90.0° | 126.1° |
| C26 | C28 | N1 | 90.0° | 120.0° |
| C26 | C28 | O2 | 90.0° | 120.0° |
| N1 | C28 | O2 | 90.0° | 120.0° |
| C28 | N1 | C17 | 90.0° | 120.0° |
| C28 | N1 | H12 | 90.0° | 120.0° |
| N1 | C17 | C18 | 90.0° | 109.5° |
| C17 | N1 | H12 | 90.0° | 120.0° |
| N1 | C17 | H23 | 90.0° | 109.5° |
| N1 | C17 | H24 | 90.0° | 109.5° |
| C17 | C18 | N5 | 90.0° | 109.5° |
| C18 | C17 | H23 | 90.0° | 109.5° |
| C18 | C17 | H24 | 90.0° | 109.5° |
| C17 | C18 | H25 | 90.0° | 109.5° |
| C17 | C18 | H26 | 90.0° | 109.5° |
| C18 | N5 | C20 | 90.0° | 120.0° |
| C18 | N5 | C29 | 90.0° | 120.0° |
| N5 | C18 | H25 | 90.0° | 109.5° |
| N5 | C18 | H26 | 90.0° | 109.4° |
| C5 | C9 | C22 | 90.0° | 120.0° |
| C9 | C5 | C3 | 90.0° | 120.0° |
| C9 | C5 | H3 | 90.0° | 120.0° |
| C5 | C9 | H8 | 90.0° | 120.0° |
| C9 | C22 | C20 | 90.0° | 120.0° |
| C9 | C22 | C10 | 90.0° | 120.0° |
| C22 | C9 | H8 | 90.0° | 120.0° |
| C5 | C3 | C6 | 90.0° | 120.0° |
| C3 | C5 | H3 | 90.0° | 120.0° |
| C5 | C3 | H13 | 90.0° | 120.0° |
| N5 | C20 | C22 | 90.0° | 109.5° |
| C20 | N5 | C29 | 90.0° | 120.0° |
| N5 | C20 | H28 | 90.0° | 109.5° |
| N5 | C20 | H29 | 90.0° | 109.5° |
| C20 | C22 | C10 | 90.0° | 120.0° |
| C22 | C20 | H28 | 90.0° | 109.5° |
| C22 | C20 | H29 | 90.0° | 109.5° |
| N5 | C29 | O3 | 90.0° | 120.0° |
| N5 | C29 | C23 | 90.0° | 120.0° |
| C22 | C10 | C6 | 90.0° | 120.0° |
| C22 | C10 | H9 | 90.0° | 120.0° |
| C3 | C6 | C10 | 90.0° | 120.0° |
| C3 | C6 | H4 | 90.0° | 120.0° |
| C6 | C3 | H13 | 90.0° | 120.0° |
| O3 | C29 | C23 | 90.0° | 120.0° |
| C29 | C23 | C14 | 90.0° | 120.1° |
| C29 | C23 | C13 | 90.0° | 120.2° |
| C10 | C6 | H4 | 90.0° | 120.1° |
| C6 | C10 | H9 | 90.0° | 120.0° |
| C23 | C14 | C16 | 90.0° | 119.9° |
| C14 | C23 | C13 | 90.0° | 119.7° |
| C23 | C14 | H2 | 90.0° | 120.1° |
| C14 | C16 | C25 | 90.0° | 120.1° |
| C16 | C14 | H2 | 90.0° | 120.0° |
| C14 | C16 | H22 | 90.0° | 119.9° |
| C23 | C13 | C15 | 90.0° | 119.9° |
| C23 | C13 | H11 | 90.0° | 120.1° |
| C16 | C25 | C15 | 90.0° | 120.3° |
| C16 | C25 | S2 | 90.0° | 119.9° |
| C25 | C16 | H22 | 90.0° | 119.9° |
| C13 | C15 | C25 | 90.0° | 120.1° |
| C15 | C13 | H11 | 90.0° | 120.1° |
| C13 | C15 | H21 | 90.0° | 120.0° |
| C15 | C25 | S2 | 90.0° | 119.9° |
| C25 | C15 | H21 | 90.0° | 119.9° |
| C25 | S2 | O4 | 90.0° | 106.4° |
| C25 | S2 | O5 | 90.0° | 106.4° |
| C25 | S2 | N4 | 90.0° | 107.2° |
| O4 | S2 | O5 | 90.0° | 123.1° |
| O4 | S2 | N4 | 90.0° | 106.4° |
| O5 | S2 | N4 | 90.0° | 106.4° |
| S2 | N4 | C24 | 90.0° | 120.0° |
| S2 | N4 | H31 | 90.0° | 120.0° |
| C11 | C7 | C4 | 90.0° | 120.1° |
| C7 | C11 | C24 | 90.0° | 119.8° |
| C7 | C11 | H5 | 90.0° | 120.1° |
| C11 | C7 | H6 | 90.0° | 119.9° |
| C7 | C4 | C8 | 90.0° | 120.2° |
| C7 | C4 | H1 | 90.0° | 120.0° |
| C4 | C7 | H6 | 90.0° | 120.0° |
| C11 | C24 | N4 | 90.0° | 120.0° |
| C11 | C24 | C12 | 90.0° | 119.9° |
| C24 | C11 | H5 | 90.0° | 120.1° |
| C4 | C8 | C12 | 90.0° | 120.0° |
| C8 | C4 | H1 | 90.0° | 119.9° |
| C4 | C8 | H7 | 90.0° | 120.0° |
| N4 | C24 | C12 | 90.0° | 120.0° |
| C24 | N4 | H31 | 90.0° | 120.0° |
| C24 | C12 | C8 | 90.0° | 119.9° |
| C24 | C12 | H10 | 90.0° | 120.1° |
| C12 | C8 | H7 | 90.0° | 119.9° |
| C8 | C12 | H10 | 90.0° | 120.0° |
| H15 | C1 | H16 | 90.0° | 109.5° |
| H15 | C1 | H17 | 90.0° | 109.5° |
| H16 | C1 | H17 | 90.0° | 109.5° |
| H18 | C2 | H19 | 90.0° | 109.5° |
| H18 | C2 | H20 | 90.0° | 109.5° |
| H19 | C2 | H20 | 90.0° | 109.5° |
| H23 | C17 | H24 | 90.0° | 109.4° |
| H25 | C18 | H26 | 90.0° | 109.4° |
| H28 | C20 | H29 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C21 | C27 | C1 | 90.0° | 120.0° |
| C2 | C21 | C27 | H30 | 90.0° | 120.0° |
| C2 | C21 | C1 | H30 | 90.0° | 120.0° |
| C2 | C21 | C27 | O1 | 90.0° | 119.9° |
| C2 | C21 | C27 | N3 | 90.0° | 60.0° |
| C2 | C21 | C1 | H15 | 90.0° | 60.0° |
| C2 | C21 | C1 | H16 | 90.0° | 180.0° |
| C2 | C21 | C1 | H17 | 90.0° | 59.9° |
| C21 | C2 | H18 | H19 | 90.0° | 120.0° |
| C21 | C2 | H18 | H20 | 90.0° | 119.9° |
| C21 | C2 | H19 | H20 | 90.0° | 120.0° |
| C27 | C21 | C1 | H30 | 90.0° | 120.0° |
| C21 | C27 | O1 | N3 | 90.0° | 179.9° |
| C21 | C27 | N3 | C30 | 90.0° | 180.0° |
| C21 | C27 | N3 | H14 | 90.0° | 0.1° |
| C27 | C21 | C1 | H15 | 90.0° | 180.0° |
| C27 | C21 | C1 | H16 | 90.0° | 60.0° |
| C27 | C21 | C1 | H17 | 90.0° | 60.0° |
| C27 | C21 | C2 | H18 | 90.0° | 180.0° |
| C27 | C21 | C2 | H19 | 90.0° | 60.0° |
| C27 | C21 | C2 | H20 | 90.0° | 60.0° |
| C1 | C21 | C27 | O1 | 90.0° | 0.0° |
| C1 | C21 | C27 | N3 | 90.0° | 180.0° |
| C21 | C1 | H15 | H16 | 90.0° | 120.0° |
| C21 | C1 | H15 | H17 | 90.0° | 120.0° |
| C21 | C1 | H16 | H17 | 90.0° | 120.0° |
| C1 | C21 | C2 | H18 | 90.0° | 60.0° |
| C1 | C21 | C2 | H19 | 90.0° | 60.0° |
| C1 | C21 | C2 | H20 | 90.0° | 180.0° |
| O1 | C27 | N3 | C30 | 90.0° | 0.1° |
| O1 | C27 | N3 | H14 | 90.0° | 180.0° |
| O1 | C27 | C21 | H30 | 90.0° | 120.1° |
| C27 | N3 | C30 | H14 | 90.0° | 180.0° |
| C27 | N3 | C30 | N2 | 90.0° | 0.0° |
| C27 | N3 | C30 | S1 | 90.0° | 180.0° |
| N3 | C27 | C21 | H30 | 90.0° | 60.0° |
| N3 | C30 | N2 | S1 | 90.0° | 180.0° |
| N3 | C30 | N2 | C19 | 90.0° | 180.0° |
| N3 | C30 | S1 | C26 | 90.0° | 180.0° |
| C30 | N2 | C19 | C26 | 90.0° | 0.0° |
| N2 | C30 | S1 | C26 | 90.0° | 0.0° |
| N2 | C30 | N3 | H14 | 90.0° | 180.0° |
| C30 | N2 | C19 | H27 | 90.0° | 180.0° |
| S1 | C30 | N2 | C19 | 90.0° | 0.0° |
| C30 | S1 | C26 | C19 | 90.0° | 0.0° |
| C30 | S1 | C26 | C28 | 90.0° | 180.0° |
| S1 | C30 | N3 | H14 | 90.0° | 0.0° |
| N2 | C19 | C26 | H27 | 90.0° | 180.0° |
| N2 | C19 | C26 | S1 | 90.0° | 0.0° |
| N2 | C19 | C26 | C28 | 90.0° | 180.0° |
| C19 | C26 | S1 | C28 | 90.0° | 180.0° |
| C19 | C26 | C28 | N1 | 90.0° | 180.0° |
| C19 | C26 | C28 | O2 | 90.0° | 0.0° |
| S1 | C26 | C28 | N1 | 90.0° | 0.0° |
| S1 | C26 | C28 | O2 | 90.0° | 180.0° |
| S1 | C26 | C19 | H27 | 90.0° | 180.0° |
| C26 | C28 | N1 | O2 | 90.0° | 180.0° |
| C26 | C28 | N1 | C17 | 90.0° | 180.0° |
| C26 | C28 | N1 | H12 | 90.0° | 0.0° |
| C28 | C26 | C19 | H27 | 90.0° | 0.0° |
| C28 | N1 | C17 | H12 | 90.0° | 179.9° |
| C28 | N1 | C17 | C18 | 90.0° | 180.0° |
| C28 | N1 | C17 | H23 | 90.0° | 60.0° |
| C28 | N1 | C17 | H24 | 90.0° | 60.0° |
| O2 | C28 | N1 | C17 | 90.0° | 0.0° |
| O2 | C28 | N1 | H12 | 90.0° | 179.9° |
| N1 | C17 | C18 | H23 | 90.0° | 120.1° |
| N1 | C17 | C18 | H24 | 90.0° | 120.0° |
| N1 | C17 | C18 | N5 | 90.0° | 180.0° |
| N1 | C17 | H23 | H24 | 90.0° | 120.0° |
| N1 | C17 | C18 | H25 | 90.0° | 60.0° |
| N1 | C17 | C18 | H26 | 90.0° | 60.0° |
| C17 | C18 | N5 | H25 | 90.0° | 120.1° |
| C17 | C18 | N5 | H26 | 90.0° | 120.0° |
| C17 | C18 | N5 | C20 | 90.0° | 73.2° |
| C17 | C18 | N5 | C29 | 90.0° | 106.7° |
| C18 | C17 | N1 | H12 | 90.0° | 0.1° |
| C18 | C17 | H23 | H24 | 90.0° | 120.0° |
| C17 | C18 | H25 | H26 | 90.0° | 120.0° |
| C18 | N5 | C20 | C29 | 90.0° | 179.9° |
| C18 | N5 | C20 | C22 | 90.0° | 94.4° |
| C18 | N5 | C29 | O3 | 90.0° | 176.8° |
| C18 | N5 | C29 | C23 | 90.0° | 3.2° |
| N5 | C18 | C17 | H23 | 90.0° | 59.9° |
| N5 | C18 | C17 | H24 | 90.0° | 60.0° |
| N5 | C18 | H25 | H26 | 90.0° | 119.9° |
| C18 | N5 | C20 | H28 | 90.0° | 25.6° |
| C18 | N5 | C20 | H29 | 90.0° | 145.6° |
| C5 | C9 | C22 | H8 | 90.0° | 179.9° |
| C9 | C5 | C3 | H3 | 90.0° | 179.8° |
| C5 | C9 | C22 | C20 | 90.0° | 180.0° |
| C5 | C9 | C22 | C10 | 90.0° | 0.1° |
| C9 | C5 | C3 | C6 | 90.0° | 0.2° |
| C9 | C5 | C3 | H13 | 90.0° | 179.7° |
| C22 | C9 | C5 | C3 | 90.0° | 0.0° |
| C9 | C22 | C20 | N5 | 90.0° | 95.2° |
| C9 | C22 | C20 | C10 | 90.0° | 179.9° |
| C9 | C22 | C10 | C6 | 90.0° | 0.3° |
| C22 | C9 | C5 | H3 | 90.0° | 179.8° |
| C9 | C22 | C10 | H9 | 90.0° | 179.7° |
| C9 | C22 | C20 | H28 | 90.0° | 144.8° |
| C9 | C22 | C20 | H29 | 90.0° | 24.8° |
| C5 | C3 | C6 | H13 | 90.0° | 180.0° |
| C5 | C3 | C6 | C10 | 90.0° | 0.5° |
| C5 | C3 | C6 | H4 | 90.0° | 180.0° |
| C3 | C5 | C9 | H8 | 90.0° | 180.0° |
| N5 | C20 | C22 | H28 | 90.0° | 120.0° |
| N5 | C20 | C22 | H29 | 90.0° | 120.0° |
| N5 | C20 | C22 | C10 | 90.0° | 84.7° |
| C20 | N5 | C29 | O3 | 90.0° | 3.3° |
| C20 | N5 | C29 | C23 | 90.0° | 176.7° |
| C20 | N5 | C18 | H25 | 90.0° | 46.9° |
| C20 | N5 | C18 | H26 | 90.0° | 166.8° |
| N5 | C20 | H28 | H29 | 90.0° | 120.0° |
| C22 | C20 | N5 | C29 | 90.0° | 85.7° |
| C20 | C22 | C10 | C6 | 90.0° | 179.7° |
| C20 | C22 | C9 | H8 | 90.0° | 0.1° |
| C20 | C22 | C10 | H9 | 90.0° | 0.2° |
| C22 | C20 | H28 | H29 | 90.0° | 120.0° |
| N5 | C29 | O3 | C23 | 90.0° | 180.0° |
| N5 | C29 | C23 | C14 | 90.0° | 152.2° |
| N5 | C29 | C23 | C13 | 90.0° | 27.7° |
| C29 | N5 | C18 | H25 | 90.0° | 133.2° |
| C29 | N5 | C18 | H26 | 90.0° | 13.3° |
| C29 | N5 | C20 | H28 | 90.0° | 154.4° |
| C29 | N5 | C20 | H29 | 90.0° | 34.4° |
| C22 | C10 | C6 | C3 | 90.0° | 0.5° |
| C22 | C10 | C6 | H9 | 90.0° | 180.0° |
| C22 | C10 | C6 | H4 | 90.0° | 180.0° |
| C10 | C22 | C9 | H8 | 90.0° | 180.0° |
| C10 | C22 | C20 | H28 | 90.0° | 35.3° |
| C10 | C22 | C20 | H29 | 90.0° | 155.3° |
| C3 | C6 | C10 | H4 | 90.0° | 179.5° |
| C6 | C3 | C5 | H3 | 90.0° | 180.0° |
| C3 | C6 | C10 | H9 | 90.0° | 179.5° |
| O3 | C29 | C23 | C14 | 90.0° | 27.8° |
| O3 | C29 | C23 | C13 | 90.0° | 152.3° |
| C29 | C23 | C14 | C13 | 90.0° | 180.0° |
| C29 | C23 | C14 | C16 | 90.0° | 180.0° |
| C29 | C23 | C13 | C15 | 90.0° | 180.0° |
| C29 | C23 | C14 | H2 | 90.0° | 0.2° |
| C29 | C23 | C13 | H11 | 90.0° | 0.0° |
| C10 | C6 | C3 | H13 | 90.0° | 179.5° |
| C23 | C14 | C16 | H2 | 90.0° | 179.7° |
| C23 | C14 | C16 | C25 | 90.0° | 0.0° |
| C14 | C23 | C13 | C15 | 90.0° | 0.0° |
| C14 | C23 | C13 | H11 | 90.0° | 180.0° |
| C23 | C14 | C16 | H22 | 90.0° | 180.0° |
| C16 | C14 | C23 | C13 | 90.0° | 0.0° |
| C14 | C16 | C25 | H22 | 90.0° | 180.0° |
| C14 | C16 | C25 | C15 | 90.0° | 0.0° |
| C14 | C16 | C25 | S2 | 90.0° | 180.0° |
| C23 | C13 | C15 | H11 | 90.0° | 180.0° |
| C23 | C13 | C15 | C25 | 90.0° | 0.0° |
| C13 | C23 | C14 | H2 | 90.0° | 179.7° |
| C23 | C13 | C15 | H21 | 90.0° | 180.0° |
| C16 | C25 | C15 | C13 | 90.0° | 0.0° |
| C16 | C25 | C15 | S2 | 90.0° | 180.0° |
| C16 | C25 | S2 | O4 | 90.0° | 151.2° |
| C16 | C25 | S2 | O5 | 90.0° | 18.3° |
| C16 | C25 | S2 | N4 | 90.0° | 95.3° |
| C25 | C16 | C14 | H2 | 90.0° | 179.7° |
| C16 | C25 | C15 | H21 | 90.0° | 180.0° |
| C13 | C15 | C25 | H21 | 90.0° | 179.9° |
| C13 | C15 | C25 | S2 | 90.0° | 180.0° |
| C15 | C25 | S2 | O4 | 90.0° | 28.8° |
| C15 | C25 | S2 | O5 | 90.0° | 161.7° |
| C15 | C25 | S2 | N4 | 90.0° | 84.8° |
| C25 | C15 | C13 | H11 | 90.0° | 180.0° |
| C15 | C25 | C16 | H22 | 90.0° | 180.0° |
| C25 | S2 | O4 | O5 | 90.0° | 122.9° |
| C25 | S2 | O4 | N4 | 90.0° | 114.1° |
| C25 | S2 | O5 | N4 | 90.0° | 114.1° |
| C25 | S2 | N4 | C24 | 90.0° | 61.5° |
| S2 | C25 | C15 | H21 | 90.0° | 0.1° |
| S2 | C25 | C16 | H22 | 90.0° | 0.0° |
| C25 | S2 | N4 | H31 | 90.0° | 118.4° |
| O4 | S2 | O5 | N4 | 90.0° | 123.0° |
| O4 | S2 | N4 | C24 | 90.0° | 175.0° |
| O4 | S2 | N4 | H31 | 90.0° | 4.9° |
| O5 | S2 | N4 | C24 | 90.0° | 52.0° |
| O5 | S2 | N4 | H31 | 90.0° | 128.0° |
| S2 | N4 | C24 | C11 | 90.0° | 133.8° |
| S2 | N4 | C24 | H31 | 90.0° | 179.9° |
| S2 | N4 | C24 | C12 | 90.0° | 45.4° |
| C11 | C7 | C4 | H6 | 90.0° | 180.0° |
| C7 | C11 | C24 | H5 | 90.0° | 180.0° |
| C11 | C7 | C4 | C8 | 90.0° | 0.0° |
| C7 | C11 | C24 | N4 | 90.0° | 180.0° |
| C7 | C11 | C24 | C12 | 90.0° | 0.8° |
| C11 | C7 | C4 | H1 | 90.0° | 179.7° |
| C4 | C7 | C11 | C24 | 90.0° | 0.5° |
| C7 | C4 | C8 | H1 | 90.0° | 179.8° |
| C7 | C4 | C8 | C12 | 90.0° | 0.2° |
| C4 | C7 | C11 | H5 | 90.0° | 179.5° |
| C7 | C4 | C8 | H7 | 90.0° | 179.7° |
| C11 | C24 | N4 | C12 | 90.0° | 179.2° |
| C11 | C24 | C12 | C8 | 90.0° | 0.5° |
| C24 | C11 | C7 | H6 | 90.0° | 179.5° |
| C11 | C24 | C12 | H10 | 90.0° | 179.4° |
| C11 | C24 | N4 | H31 | 90.0° | 46.1° |
| C4 | C8 | C12 | C24 | 90.0° | 0.0° |
| C4 | C8 | C12 | H7 | 90.0° | 180.0° |
| C8 | C4 | C7 | H6 | 90.0° | 180.0° |
| C4 | C8 | C12 | H10 | 90.0° | 179.9° |
| N4 | C24 | C12 | C8 | 90.0° | 179.8° |
| N4 | C24 | C11 | H5 | 90.0° | 0.0° |
| N4 | C24 | C12 | H10 | 90.0° | 0.2° |
| C24 | C12 | C8 | H10 | 90.0° | 179.9° |
| C12 | C24 | C11 | H5 | 90.0° | 179.2° |
| C24 | C12 | C8 | H7 | 90.0° | 180.0° |
| C12 | C24 | N4 | H31 | 90.0° | 134.6° |
| C12 | C8 | C4 | H1 | 90.0° | 180.0° |
| H1 | C4 | C7 | H6 | 90.0° | 0.2° |
| H1 | C4 | C8 | H7 | 90.0° | 0.0° |
| H2 | C14 | C16 | H22 | 90.0° | 0.3° |
| H3 | C5 | C9 | H8 | 90.0° | 0.3° |
| H3 | C5 | C3 | H13 | 90.0° | 0.0° |
| H4 | C6 | C10 | H9 | 90.0° | 0.0° |
| H4 | C6 | C3 | H13 | 90.0° | 0.0° |
| H5 | C11 | C7 | H6 | 90.0° | 0.5° |
| H7 | C8 | C12 | H10 | 90.0° | 0.1° |
| H11 | C13 | C15 | H21 | 90.0° | 0.1° |
| H12 | N1 | C17 | H23 | 90.0° | 120.0° |
| H12 | N1 | C17 | H24 | 90.0° | 120.1° |
| H15 | C1 | H16 | H17 | 90.0° | 120.0° |
| H15 | C1 | C21 | H30 | 90.0° | 60.0° |
| H16 | C1 | C21 | H30 | 90.0° | 60.0° |
| H17 | C1 | C21 | H30 | 90.0° | 179.9° |
| H18 | C2 | H19 | H20 | 90.0° | 120.0° |
| H18 | C2 | C21 | H30 | 90.0° | 59.9° |
| H19 | C2 | C21 | H30 | 90.0° | 179.9° |
| H20 | C2 | C21 | H30 | 90.0° | 60.0° |
| H23 | C17 | C18 | H25 | 90.0° | 180.0° |
| H23 | C17 | C18 | H26 | 90.0° | 60.0° |
| H24 | C17 | C18 | H25 | 90.0° | 60.0° |
| H24 | C17 | C18 | H26 | 90.0° | 180.0° |
