LTZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C13 | doub | 1.21Å | 1.22Å | |
| C14 | C13 | sing | 1.51Å | 1.50Å | |
| C13 | N3 | sing | 1.35Å | 1.35Å | |
| N3 | C9 | sing | 1.47Å | 1.48Å | |
| N3 | C10 | sing | 1.47Å | 1.47Å | |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| C12 | C10 | sing | 1.53Å | 1.54Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C8 | N2 | sing | 1.47Å | 1.47Å | |
| C11 | N2 | sing | 1.47Å | 1.46Å | |
| N2 | C7 | sing | 1.35Å | 1.35Å | |
| C7 | O1 | doub | 1.21Å | 1.24Å | |
| C7 | C6 | sing | 1.51Å | 1.52Å | |
| C5 | C6 | sing | 1.55Å | 1.52Å | |
| C5 | C4 | sing | 1.55Å | 1.51Å | |
| C6 | N1 | sing | 1.47Å | 1.46Å | |
| C4 | C1 | sing | 1.54Å | 1.52Å | |
| N1 | C1 | sing | 1.47Å | 1.46Å | |
| N1 | C15 | sing | 1.35Å | 1.33Å | |
| O3 | C15 | doub | 1.22Å | 1.22Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C15 | C16 | sing | 1.46Å | 1.47Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C16 | S | sing | 1.77Å | 1.72Å | |
| C16 | C17 | doub | 1.34Å | 1.48Å | |
| S | C18 | sing | 1.78Å | 1.72Å | |
| C17 | C34 | sing | 1.51Å | 1.48Å | |
| C17 | N4 | sing | 1.36Å | 1.36Å | |
| C34 | C35 | sing | 1.53Å | 1.52Å | |
| C34 | C36 | sing | 1.53Å | 1.52Å | |
| C18 | N4 | sing | 1.37Å | 1.32Å | |
| C18 | N5 | doub | 1.31Å | 1.35Å | |
| N4 | C20 | sing | 1.49Å | 1.48Å | |
| N5 | C19 | sing | 1.47Å | 1.47Å | |
| C33 | C19 | sing | 1.53Å | 1.53Å | |
| C20 | C19 | sing | 1.54Å | 1.55Å | |
| C20 | C21 | sing | 1.51Å | 1.50Å | |
| C19 | C27 | sing | 1.51Å | 1.50Å | |
| C22 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C26 | sing | 1.38Å | 1.40Å | Aromatic |
| C27 | C32 | doub | 1.38Å | 1.40Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.41Å | Aromatic |
| C32 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
| C26 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | CL1 | sing | 1.74Å | 1.79Å | |
| C31 | C30 | doub | 1.38Å | 1.40Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.38Å | Aromatic |
| C30 | CL2 | sing | 1.74Å | 1.78Å | |
| C29 | H1 | sing | 1.08Å | 1.08Å | |
| C28 | H2 | sing | 1.08Å | 1.08Å | |
| C31 | H3 | sing | 1.08Å | 1.08Å | |
| C32 | H4 | sing | 1.08Å | 1.08Å | |
| C33 | H5 | sing | 1.09Å | 1.10Å | |
| C33 | H6 | sing | 1.09Å | 1.10Å | |
| C33 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C26 | H9 | sing | 1.08Å | 1.08Å | |
| C25 | H10 | sing | 1.08Å | 1.08Å | |
| C23 | H11 | sing | 1.08Å | 1.08Å | |
| C22 | H12 | sing | 1.08Å | 1.08Å | |
| C34 | H13 | sing | 1.09Å | 1.10Å | |
| C36 | H14 | sing | 1.09Å | 1.10Å | |
| C36 | H15 | sing | 1.09Å | 1.10Å | |
| C36 | H16 | sing | 1.09Å | 1.10Å | |
| C35 | H17 | sing | 1.09Å | 1.10Å | |
| C35 | H18 | sing | 1.09Å | 1.10Å | |
| C35 | H19 | sing | 1.09Å | 1.10Å | |
| C6 | H21 | sing | 1.09Å | 1.10Å | |
| C5 | H22 | sing | 1.09Å | 1.10Å | |
| C4 | H23 | sing | 1.09Å | 1.10Å | |
| C1 | H24 | sing | 1.09Å | 1.10Å | |
| C2 | H25 | sing | 1.09Å | 1.10Å | |
| C2 | H26 | sing | 1.09Å | 1.10Å | |
| C3 | H27 | sing | 1.09Å | 1.10Å | |
| C3 | H28 | sing | 1.09Å | 1.10Å | |
| C3 | H29 | sing | 1.09Å | 1.10Å | |
| C11 | H30 | sing | 1.09Å | 1.10Å | |
| C11 | H31 | sing | 1.09Å | 1.10Å | |
| C10 | H32 | sing | 1.09Å | 1.10Å | |
| C12 | H33 | sing | 1.09Å | 1.10Å | |
| C12 | H34 | sing | 1.09Å | 1.10Å | |
| C12 | H35 | sing | 1.09Å | 1.10Å | |
| C14 | H36 | sing | 1.09Å | 1.10Å | |
| C14 | H37 | sing | 1.09Å | 1.10Å | |
| C14 | H38 | sing | 1.09Å | 1.10Å | |
| C9 | H39 | sing | 1.09Å | 1.10Å | |
| C9 | H40 | sing | 1.09Å | 1.10Å | |
| C8 | H41 | sing | 1.09Å | 1.10Å | |
| C8 | H42 | sing | 1.09Å | 1.10Å | |
| C5 | H20 | sing | 1.09Å | 1.10Å | |
| C4 | H43 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C13 | C14 | 120.1° | 120.0° |
| O2 | C13 | N3 | 122.1° | 120.0° |
| C14 | C13 | N3 | 117.8° | 120.0° |
| C13 | C14 | H36 | 109.5° | 109.5° |
| C13 | C14 | H37 | 109.4° | 109.4° |
| C13 | C14 | H38 | 109.5° | 109.4° |
| C13 | N3 | C9 | 125.5° | 120.6° |
| C13 | N3 | C10 | 119.1° | 120.6° |
| C9 | N3 | C10 | 115.3° | 118.8° |
| N3 | C9 | C8 | 110.5° | 108.7° |
| N3 | C9 | H39 | 109.2° | 109.6° |
| N3 | C9 | H40 | 109.2° | 109.6° |
| N3 | C10 | C12 | 111.8° | 109.8° |
| N3 | C10 | C11 | 108.3° | 108.7° |
| N3 | C10 | H32 | 107.8° | 109.6° |
| C9 | C8 | N2 | 106.7° | 108.9° |
| C8 | C9 | H39 | 109.2° | 109.7° |
| C8 | C9 | H40 | 109.2° | 109.4° |
| C9 | C8 | H41 | 110.2° | 109.6° |
| C9 | C8 | H42 | 110.2° | 109.6° |
| C12 | C10 | C11 | 114.5° | 109.6° |
| C12 | C10 | H32 | 107.0° | 109.6° |
| C10 | C12 | H33 | 109.5° | 109.5° |
| C10 | C12 | H34 | 109.5° | 109.5° |
| C10 | C12 | H35 | 109.5° | 109.5° |
| C10 | C11 | N2 | 109.4° | 108.6° |
| C10 | C11 | H30 | 109.5° | 109.6° |
| C10 | C11 | H31 | 109.5° | 109.8° |
| C11 | C10 | H32 | 107.1° | 109.6° |
| C8 | N2 | C11 | 114.0° | 118.9° |
| C8 | N2 | C7 | 123.1° | 120.5° |
| N2 | C8 | H41 | 110.1° | 109.7° |
| N2 | C8 | H42 | 110.2° | 109.3° |
| C11 | N2 | C7 | 122.9° | 120.6° |
| N2 | C11 | H30 | 109.5° | 109.6° |
| N2 | C11 | H31 | 109.5° | 109.6° |
| N2 | C7 | O1 | 122.8° | 120.0° |
| N2 | C7 | C6 | 117.5° | 120.0° |
| O1 | C7 | C6 | 119.7° | 120.0° |
| C7 | C6 | C5 | 110.6° | 110.5° |
| C7 | C6 | N1 | 113.3° | 110.4° |
| C7 | C6 | H21 | 109.8° | 110.3° |
| C6 | C5 | C4 | 109.1° | 101.6° |
| C5 | C6 | N1 | 102.6° | 104.9° |
| C5 | C6 | H21 | 109.8° | 110.3° |
| C6 | C5 | H22 | 109.6° | 111.0° |
| C6 | C5 | H20 | 109.6° | 111.0° |
| C5 | C4 | C1 | 108.2° | 102.9° |
| C4 | C5 | H22 | 109.6° | 111.0° |
| C5 | C4 | H23 | 109.8° | 110.7° |
| C4 | C5 | H20 | 109.6° | 111.0° |
| C5 | C4 | H43 | 109.8° | 110.8° |
| C6 | N1 | C1 | 116.8° | 108.7° |
| C6 | N1 | C15 | 118.4° | 125.6° |
| N1 | C6 | H21 | 110.6° | 110.3° |
| C4 | C1 | N1 | 103.0° | 107.3° |
| C4 | C1 | C2 | 107.8° | 109.7° |
| C1 | C4 | H23 | 109.8° | 110.7° |
| C4 | C1 | H24 | 112.4° | 110.1° |
| C1 | C4 | H43 | 109.8° | 110.8° |
| C1 | N1 | C15 | 124.8° | 125.7° |
| N1 | C1 | C2 | 107.2° | 109.9° |
| N1 | C1 | H24 | 113.4° | 109.9° |
| N1 | C15 | O3 | 121.7° | 120.0° |
| N1 | C15 | C16 | 127.2° | 120.0° |
| O3 | C15 | C16 | 110.9° | 120.0° |
| C1 | C2 | C3 | 109.6° | 109.5° |
| C2 | C1 | H24 | 112.4° | 110.0° |
| C1 | C2 | H25 | 109.4° | 109.5° |
| C1 | C2 | H26 | 109.4° | 109.5° |
| C15 | C16 | S | 121.9° | 127.3° |
| C15 | C16 | C17 | 125.1° | 127.2° |
| C3 | C2 | H25 | 109.4° | 109.5° |
| C3 | C2 | H26 | 109.5° | 109.5° |
| C2 | C3 | H27 | 109.5° | 109.5° |
| C2 | C3 | H28 | 109.5° | 109.4° |
| C2 | C3 | H29 | 109.5° | 109.5° |
| S | C16 | C17 | 112.7° | 105.5° |
| C16 | S | C18 | 87.0° | 94.4° |
| C16 | C17 | C34 | 122.2° | 120.7° |
| C16 | C17 | N4 | 109.5° | 118.6° |
| S | C18 | N4 | 118.1° | 105.6° |
| S | C18 | N5 | 130.8° | 139.9° |
| C34 | C17 | N4 | 128.3° | 120.7° |
| C17 | C34 | C35 | 109.9° | 109.5° |
| C17 | C34 | C36 | 108.1° | 109.5° |
| C17 | C34 | H13 | 108.6° | 109.4° |
| C17 | N4 | C18 | 112.7° | 115.9° |
| C17 | N4 | C20 | 134.5° | 136.5° |
| C35 | C34 | C36 | 113.9° | 109.5° |
| C35 | C34 | H13 | 108.1° | 109.5° |
| C34 | C35 | H17 | 109.5° | 109.5° |
| C34 | C35 | H18 | 109.5° | 109.5° |
| C34 | C35 | H19 | 109.5° | 109.5° |
| C36 | C34 | H13 | 108.1° | 109.5° |
| C34 | C36 | H14 | 109.5° | 109.5° |
| C34 | C36 | H15 | 109.4° | 109.5° |
| C34 | C36 | H16 | 109.4° | 109.5° |
| N4 | C18 | N5 | 111.1° | 114.5° |
| C18 | N4 | C20 | 112.8° | 107.5° |
| C18 | N5 | C19 | 106.1° | 110.0° |
| N4 | C20 | C19 | 97.8° | 103.8° |
| N4 | C20 | C21 | 113.5° | 110.5° |
| N4 | C20 | H8 | 112.8° | 110.7° |
| N5 | C19 | C33 | 110.7° | 110.5° |
| N5 | C19 | C20 | 104.1° | 104.2° |
| N5 | C19 | C27 | 109.5° | 110.5° |
| C33 | C19 | C20 | 110.5° | 110.5° |
| C33 | C19 | C27 | 107.5° | 110.5° |
| C19 | C33 | H5 | 109.5° | 109.5° |
| C19 | C33 | H6 | 109.4° | 109.5° |
| C19 | C33 | H7 | 109.5° | 109.4° |
| C19 | C20 | C21 | 107.6° | 110.5° |
| C20 | C19 | C27 | 114.7° | 110.5° |
| C19 | C20 | H8 | 111.6° | 110.6° |
| C20 | C21 | C22 | 120.4° | 120.0° |
| C20 | C21 | C26 | 120.3° | 120.0° |
| C21 | C20 | H8 | 112.5° | 110.5° |
| C19 | C27 | C32 | 119.6° | 120.0° |
| C19 | C27 | C28 | 120.1° | 120.0° |
| C21 | C22 | C23 | 120.5° | 120.1° |
| C22 | C21 | C26 | 119.2° | 120.0° |
| C21 | C22 | H12 | 119.8° | 120.0° |
| C22 | C23 | C24 | 119.3° | 119.9° |
| C22 | C23 | H11 | 120.4° | 120.1° |
| C23 | C22 | H12 | 119.7° | 120.0° |
| C21 | C26 | C25 | 120.6° | 120.0° |
| C21 | C26 | H9 | 119.7° | 120.0° |
| C32 | C27 | C28 | 120.3° | 120.0° |
| C27 | C32 | C31 | 119.7° | 120.0° |
| C27 | C32 | H4 | 120.2° | 120.0° |
| C27 | C28 | C29 | 120.1° | 120.0° |
| C27 | C28 | H2 | 119.9° | 120.0° |
| C32 | C31 | C30 | 118.7° | 119.9° |
| C32 | C31 | H3 | 120.7° | 120.0° |
| C31 | C32 | H4 | 120.2° | 120.0° |
| C23 | C24 | C25 | 121.0° | 120.0° |
| C23 | C24 | CL1 | 119.1° | 120.0° |
| C24 | C23 | H11 | 120.4° | 120.0° |
| C26 | C25 | C24 | 119.4° | 120.0° |
| C25 | C26 | H9 | 119.7° | 120.0° |
| C26 | C25 | H10 | 120.3° | 120.0° |
| C28 | C29 | C30 | 118.8° | 120.0° |
| C28 | C29 | H1 | 120.6° | 120.0° |
| C29 | C28 | H2 | 120.0° | 120.0° |
| C25 | C24 | CL1 | 119.9° | 120.0° |
| C24 | C25 | H10 | 120.3° | 120.0° |
| C31 | C30 | C29 | 122.4° | 120.0° |
| C31 | C30 | CL2 | 119.5° | 120.0° |
| C30 | C31 | H3 | 120.6° | 120.1° |
| C29 | C30 | CL2 | 118.2° | 120.0° |
| C30 | C29 | H1 | 120.6° | 120.0° |
| H5 | C33 | H6 | 109.5° | 109.5° |
| H5 | C33 | H7 | 109.5° | 109.5° |
| H6 | C33 | H7 | 109.5° | 109.5° |
| H14 | C36 | H15 | 109.4° | 109.5° |
| H14 | C36 | H16 | 109.5° | 109.4° |
| H15 | C36 | H16 | 109.5° | 109.4° |
| H17 | C35 | H18 | 109.4° | 109.4° |
| H17 | C35 | H19 | 109.5° | 109.5° |
| H18 | C35 | H19 | 109.5° | 109.5° |
| H22 | C5 | H20 | 109.5° | 110.9° |
| H23 | C4 | H43 | 109.5° | 110.8° |
| H25 | C2 | H26 | 109.5° | 109.5° |
| H27 | C3 | H28 | 109.4° | 109.4° |
| H27 | C3 | H29 | 109.5° | 109.5° |
| H28 | C3 | H29 | 109.4° | 109.5° |
| H30 | C11 | H31 | 109.5° | 109.6° |
| H33 | C12 | H34 | 109.4° | 109.5° |
| H33 | C12 | H35 | 109.5° | 109.5° |
| H34 | C12 | H35 | 109.5° | 109.5° |
| H36 | C14 | H37 | 109.5° | 109.5° |
| H36 | C14 | H38 | 109.5° | 109.5° |
| H37 | C14 | H38 | 109.5° | 109.4° |
| H39 | C9 | H40 | 109.4° | 109.8° |
| H41 | C8 | H42 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C13 | C14 | N3 | 179.6° | 179.9° |
| O2 | C13 | N3 | C9 | 8.9° | 180.0° |
| O2 | C13 | N3 | C10 | 174.3° | 0.0° |
| O2 | C13 | C14 | H36 | 0.0° | 120.0° |
| O2 | C13 | C14 | H37 | 120.0° | 0.1° |
| O2 | C13 | C14 | H38 | 120.0° | 120.0° |
| C14 | C13 | N3 | C9 | 170.7° | 0.1° |
| C14 | C13 | N3 | C10 | 6.0° | 179.9° |
| C13 | C14 | H36 | H37 | 120.0° | 120.0° |
| C13 | C14 | H36 | H38 | 120.0° | 120.0° |
| C13 | C14 | H37 | H38 | 120.0° | 119.9° |
| C13 | N3 | C9 | C10 | 176.9° | 179.9° |
| C13 | N3 | C9 | C8 | 127.8° | 124.9° |
| C13 | N3 | C10 | C12 | 103.5° | 115.5° |
| C13 | N3 | C10 | C11 | 129.5° | 124.7° |
| C13 | N3 | C10 | H32 | 13.9° | 4.9° |
| N3 | C13 | C14 | H36 | 179.6° | 59.9° |
| N3 | C13 | C14 | H37 | 60.4° | 180.0° |
| N3 | C13 | C14 | H38 | 59.6° | 60.1° |
| C13 | N3 | C9 | H39 | 7.7° | 4.9° |
| C13 | N3 | C9 | H40 | 112.0° | 115.6° |
| N3 | C9 | C8 | H39 | 120.2° | 119.9° |
| N3 | C9 | C8 | H40 | 120.2° | 119.6° |
| C9 | N3 | C10 | C12 | 73.6° | 64.6° |
| C9 | N3 | C10 | C11 | 53.4° | 55.2° |
| N3 | C9 | C8 | N2 | 54.8° | 49.2° |
| C9 | N3 | C10 | H32 | 169.0° | 175.0° |
| N3 | C9 | H39 | H40 | 119.5° | 120.4° |
| N3 | C9 | C8 | H41 | 64.7° | 169.2° |
| N3 | C9 | C8 | H42 | 174.4° | 70.4° |
| C10 | N3 | C9 | C8 | 55.3° | 55.1° |
| N3 | C10 | C12 | C11 | 123.6° | 119.3° |
| N3 | C10 | C12 | H32 | 117.9° | 120.4° |
| N3 | C10 | C11 | H32 | 116.1° | 119.8° |
| N3 | C10 | C11 | N2 | 53.9° | 49.4° |
| N3 | C10 | C11 | H30 | 173.9° | 70.3° |
| N3 | C10 | C11 | H31 | 66.0° | 169.3° |
| N3 | C10 | C12 | H33 | 180.0° | 52.4° |
| N3 | C10 | C12 | H34 | 60.0° | 67.6° |
| N3 | C10 | C12 | H35 | 60.0° | 172.4° |
| C10 | N3 | C9 | H39 | 175.5° | 175.0° |
| C10 | N3 | C9 | H40 | 64.9° | 64.5° |
| C9 | C8 | N2 | H41 | 119.6° | 120.0° |
| C9 | C8 | N2 | H42 | 119.6° | 119.7° |
| C9 | C8 | N2 | C11 | 61.1° | 54.9° |
| C9 | C8 | N2 | C7 | 120.8° | 124.8° |
| C8 | C9 | H39 | H40 | 119.5° | 120.3° |
| C9 | C8 | H41 | H42 | 121.3° | 120.4° |
| C12 | C10 | C11 | H32 | 118.5° | 120.3° |
| C12 | C10 | C11 | N2 | 71.5° | 70.5° |
| C12 | C10 | C11 | H30 | 48.5° | 169.8° |
| C12 | C10 | C11 | H31 | 168.5° | 49.3° |
| C10 | C12 | H33 | H34 | 120.0° | 120.0° |
| C10 | C12 | H33 | H35 | 120.0° | 120.0° |
| C10 | C12 | H34 | H35 | 120.0° | 120.0° |
| C10 | C11 | N2 | C8 | 61.9° | 55.0° |
| C10 | C11 | N2 | H30 | 120.0° | 119.7° |
| C10 | C11 | N2 | H31 | 120.0° | 120.0° |
| C10 | C11 | N2 | C7 | 120.0° | 124.8° |
| C10 | C11 | H30 | H31 | 120.0° | 120.6° |
| C11 | C10 | C12 | H33 | 56.4° | 66.9° |
| C11 | C10 | C12 | H34 | 63.6° | 173.2° |
| C11 | C10 | C12 | H35 | 176.4° | 53.1° |
| C8 | N2 | C11 | C7 | 178.1° | 179.7° |
| C8 | N2 | C7 | O1 | 0.9° | 175.4° |
| C8 | N2 | C7 | C6 | 179.6° | 4.6° |
| C8 | N2 | C11 | H30 | 178.1° | 64.7° |
| C8 | N2 | C11 | H31 | 58.1° | 174.9° |
| N2 | C8 | C9 | H39 | 175.0° | 169.0° |
| N2 | C8 | C9 | H40 | 65.3° | 70.5° |
| N2 | C8 | H41 | H42 | 121.3° | 120.1° |
| C11 | N2 | C7 | O1 | 177.0° | 4.9° |
| C11 | N2 | C7 | C6 | 1.6° | 175.1° |
| N2 | C11 | H30 | H31 | 120.0° | 120.4° |
| N2 | C11 | C10 | H32 | 170.0° | 169.2° |
| C11 | N2 | C8 | H41 | 58.4° | 174.9° |
| C11 | N2 | C8 | H42 | 179.3° | 64.8° |
| N2 | C7 | O1 | C6 | 178.6° | 180.0° |
| N2 | C7 | C6 | C5 | 92.2° | 65.2° |
| N2 | C7 | C6 | N1 | 153.3° | 179.3° |
| N2 | C7 | C6 | H21 | 29.1° | 57.1° |
| C7 | N2 | C11 | H30 | 0.0° | 115.5° |
| C7 | N2 | C11 | H31 | 120.1° | 4.8° |
| C7 | N2 | C8 | H41 | 119.7° | 4.8° |
| C7 | N2 | C8 | H42 | 1.2° | 115.5° |
| O1 | C7 | C6 | C5 | 89.2° | 114.8° |
| O1 | C7 | C6 | N1 | 25.4° | 0.7° |
| O1 | C7 | C6 | H21 | 149.5° | 123.0° |
| C7 | C6 | C5 | N1 | 121.1° | 118.9° |
| C7 | C6 | C5 | H21 | 121.3° | 122.3° |
| C7 | C6 | C5 | C4 | 125.7° | 155.9° |
| C7 | C6 | N1 | H21 | 123.7° | 122.2° |
| C7 | C6 | N1 | C1 | 120.5° | 143.1° |
| C7 | C6 | N1 | C15 | 58.3° | 37.1° |
| C7 | C6 | C5 | H22 | 5.8° | 37.8° |
| C7 | C6 | C5 | H20 | 114.4° | 86.0° |
| C6 | C5 | C4 | H22 | 119.9° | 118.1° |
| C6 | C5 | C4 | H20 | 119.9° | 118.1° |
| C5 | C6 | N1 | H21 | 117.0° | 118.8° |
| C6 | C5 | C4 | C1 | 6.4° | 35.5° |
| C5 | C6 | N1 | C1 | 1.2° | 24.1° |
| C5 | C6 | N1 | C15 | 177.5° | 156.1° |
| C6 | C5 | H22 | H20 | 120.2° | 123.9° |
| C6 | C5 | C4 | H23 | 126.2° | 153.8° |
| C6 | C5 | C4 | H43 | 113.4° | 82.9° |
| C4 | C5 | C6 | N1 | 4.6° | 37.0° |
| C5 | C4 | C1 | H23 | 119.8° | 118.3° |
| C5 | C4 | C1 | H43 | 119.8° | 118.4° |
| C5 | C4 | C1 | N1 | 5.3° | 22.2° |
| C5 | C4 | C1 | C2 | 118.5° | 141.5° |
| C4 | C5 | C6 | H21 | 113.0° | 81.8° |
| C4 | C5 | H22 | H20 | 120.2° | 123.9° |
| C5 | C4 | H23 | H43 | 120.6° | 123.3° |
| C5 | C4 | C1 | H24 | 117.1° | 97.3° |
| C6 | N1 | C1 | C4 | 2.5° | 1.0° |
| C6 | N1 | C1 | C15 | 178.7° | 179.8° |
| C6 | N1 | C15 | O3 | 9.1° | 174.5° |
| C6 | N1 | C1 | C2 | 116.2° | 118.2° |
| C6 | N1 | C15 | C16 | 166.1° | 5.5° |
| N1 | C6 | C5 | H22 | 115.3° | 81.1° |
| C6 | N1 | C1 | H24 | 119.2° | 120.7° |
| N1 | C6 | C5 | H20 | 124.5° | 155.0° |
| C4 | C1 | N1 | C2 | 113.6° | 119.2° |
| C4 | C1 | N1 | H24 | 121.8° | 119.7° |
| C4 | C1 | N1 | C15 | 178.8° | 179.2° |
| C4 | C1 | C2 | H24 | 124.4° | 121.2° |
| C4 | C1 | C2 | C3 | 86.6° | 177.3° |
| C1 | C4 | C5 | H22 | 113.5° | 82.6° |
| C1 | C4 | H23 | H43 | 120.6° | 123.2° |
| C4 | C1 | C2 | H25 | 33.4° | 57.3° |
| C4 | C1 | C2 | H26 | 153.4° | 62.7° |
| C1 | C4 | C5 | H20 | 126.3° | 153.6° |
| C1 | N1 | C15 | O3 | 172.2° | 5.7° |
| N1 | C1 | C2 | H24 | 125.3° | 121.1° |
| C1 | N1 | C15 | C16 | 12.5° | 174.3° |
| N1 | C1 | C2 | C3 | 163.1° | 65.0° |
| C1 | N1 | C6 | H21 | 115.8° | 94.7° |
| N1 | C1 | C4 | H23 | 125.1° | 140.6° |
| N1 | C1 | C2 | H25 | 76.9° | 175.0° |
| N1 | C1 | C2 | H26 | 43.1° | 55.0° |
| N1 | C1 | C4 | H43 | 114.5° | 96.2° |
| N1 | C15 | O3 | C16 | 175.9° | 180.0° |
| C15 | N1 | C1 | C2 | 65.2° | 61.7° |
| N1 | C15 | C16 | S | 52.5° | 32.2° |
| N1 | C15 | C16 | C17 | 134.0° | 147.8° |
| C15 | N1 | C6 | H21 | 65.4° | 85.1° |
| C15 | N1 | C1 | H24 | 59.5° | 59.5° |
| O3 | C15 | C16 | S | 123.2° | 147.8° |
| O3 | C15 | C16 | C17 | 50.3° | 32.2° |
| C1 | C2 | C3 | H25 | 120.0° | 120.0° |
| C1 | C2 | C3 | H26 | 120.0° | 120.0° |
| C2 | C1 | C4 | H23 | 121.7° | 100.2° |
| C1 | C2 | H25 | H26 | 120.0° | 120.0° |
| C1 | C2 | C3 | H27 | 180.0° | 44.6° |
| C1 | C2 | C3 | H28 | 60.0° | 164.5° |
| C1 | C2 | C3 | H29 | 60.0° | 75.5° |
| C2 | C1 | C4 | H43 | 1.3° | 23.1° |
| C15 | C16 | S | C17 | 174.2° | 180.0° |
| C15 | C16 | S | C18 | 174.9° | 180.0° |
| C15 | C16 | C17 | C34 | 6.5° | 0.0° |
| C15 | C16 | C17 | N4 | 175.8° | 180.0° |
| C3 | C2 | C1 | H24 | 37.8° | 56.1° |
| C3 | C2 | H25 | H26 | 120.0° | 120.0° |
| C2 | C3 | H27 | H28 | 120.0° | 119.9° |
| C2 | C3 | H27 | H29 | 120.0° | 120.1° |
| C2 | C3 | H28 | H29 | 120.0° | 120.0° |
| S | C16 | C17 | C34 | 179.4° | 180.0° |
| S | C16 | C17 | N4 | 1.8° | 0.0° |
| C16 | S | C18 | N4 | 0.6° | 0.0° |
| C16 | S | C18 | N5 | 179.8° | 179.9° |
| C17 | C16 | S | C18 | 0.7° | 0.0° |
| C16 | C17 | C34 | N4 | 177.2° | 180.0° |
| C16 | C17 | C34 | C35 | 129.3° | 108.9° |
| C16 | C17 | C34 | C36 | 105.9° | 131.1° |
| C16 | C17 | N4 | C18 | 2.2° | 0.0° |
| C16 | C17 | N4 | C20 | 178.2° | 179.9° |
| C16 | C17 | C34 | H13 | 11.2° | 11.1° |
| S | C18 | N4 | C17 | 1.8° | 0.1° |
| S | C18 | N4 | N5 | 179.3° | 179.9° |
| S | C18 | N4 | C20 | 178.5° | 180.0° |
| S | C18 | N5 | C19 | 163.3° | 180.0° |
| C17 | C34 | C35 | C36 | 121.4° | 120.0° |
| C17 | C34 | C35 | H13 | 118.4° | 120.0° |
| C17 | C34 | C36 | H13 | 117.4° | 119.9° |
| C34 | C17 | N4 | C18 | 179.7° | 180.0° |
| C34 | C17 | N4 | C20 | 0.7° | 0.1° |
| C17 | C34 | C36 | H14 | 180.0° | 60.0° |
| C17 | C34 | C36 | H15 | 60.0° | 180.0° |
| C17 | C34 | C36 | H16 | 60.0° | 60.0° |
| C17 | C34 | C35 | H17 | 180.0° | 49.4° |
| C17 | C34 | C35 | H18 | 60.0° | 169.4° |
| C17 | C34 | C35 | H19 | 60.0° | 70.6° |
| N4 | C17 | C34 | C35 | 53.5° | 71.1° |
| N4 | C17 | C34 | C36 | 71.3° | 48.9° |
| C17 | N4 | C18 | C20 | 179.7° | 179.9° |
| C17 | N4 | C18 | N5 | 178.8° | 179.9° |
| C17 | N4 | C20 | C19 | 162.4° | 179.9° |
| C17 | N4 | C20 | C21 | 84.5° | 61.5° |
| C17 | N4 | C20 | H8 | 44.9° | 61.3° |
| N4 | C17 | C34 | H13 | 171.6° | 168.9° |
| C35 | C34 | C36 | H13 | 120.2° | 120.1° |
| C35 | C34 | C36 | H14 | 57.5° | 60.0° |
| C35 | C34 | C36 | H15 | 62.5° | 60.0° |
| C35 | C34 | C36 | H16 | 177.5° | 180.0° |
| C34 | C35 | H17 | H18 | 120.0° | 120.0° |
| C34 | C35 | H17 | H19 | 120.0° | 120.0° |
| C34 | C35 | H18 | H19 | 120.0° | 120.0° |
| C34 | C36 | H14 | H15 | 120.0° | 120.0° |
| C34 | C36 | H14 | H16 | 120.0° | 120.0° |
| C34 | C36 | H15 | H16 | 120.0° | 120.0° |
| C36 | C34 | C35 | H17 | 58.6° | 169.4° |
| C36 | C34 | C35 | H18 | 178.5° | 70.6° |
| C36 | C34 | C35 | H19 | 61.4° | 49.4° |
| N4 | C18 | N5 | C19 | 17.4° | 0.1° |
| C18 | N4 | C20 | C19 | 17.2° | 0.0° |
| C18 | N4 | C20 | C21 | 95.9° | 118.6° |
| C18 | N4 | C20 | H8 | 134.7° | 118.6° |
| N5 | C18 | N4 | C20 | 0.9° | 0.0° |
| C18 | N5 | C19 | C33 | 91.2° | 118.8° |
| C18 | N5 | C19 | C20 | 27.5° | 0.1° |
| C18 | N5 | C19 | C27 | 150.5° | 118.6° |
| N4 | C20 | C19 | N5 | 25.8° | 0.1° |
| N4 | C20 | C19 | C33 | 93.0° | 118.8° |
| N4 | C20 | C19 | C21 | 117.7° | 118.5° |
| N4 | C20 | C19 | H8 | 118.4° | 118.8° |
| N4 | C20 | C21 | H8 | 129.6° | 122.9° |
| N4 | C20 | C19 | C27 | 145.4° | 118.6° |
| N4 | C20 | C21 | C22 | 38.9° | 41.2° |
| N4 | C20 | C21 | C26 | 142.9° | 139.1° |
| N5 | C19 | C33 | C20 | 114.7° | 114.8° |
| N5 | C19 | C33 | C27 | 119.5° | 122.6° |
| N5 | C19 | C20 | C27 | 119.6° | 118.7° |
| N5 | C19 | C20 | C21 | 91.9° | 118.6° |
| N5 | C19 | C27 | C32 | 0.5° | 179.9° |
| N5 | C19 | C27 | C28 | 178.0° | 0.3° |
| N5 | C19 | C33 | H5 | 180.0° | 176.7° |
| N5 | C19 | C33 | H6 | 60.0° | 56.7° |
| N5 | C19 | C33 | H7 | 60.0° | 63.3° |
| N5 | C19 | C20 | H8 | 144.2° | 118.7° |
| C33 | C19 | C20 | C27 | 121.6° | 122.6° |
| C33 | C19 | C20 | C21 | 149.2° | 122.7° |
| C33 | C19 | C27 | C32 | 120.7° | 57.4° |
| C33 | C19 | C27 | C28 | 57.8° | 122.3° |
| C19 | C33 | H5 | H6 | 120.0° | 120.0° |
| C19 | C33 | H5 | H7 | 120.0° | 120.0° |
| C19 | C33 | H6 | H7 | 120.0° | 120.0° |
| C33 | C19 | C20 | H8 | 25.4° | 0.0° |
| C19 | C20 | C21 | H8 | 123.3° | 122.7° |
| C19 | C20 | C21 | C22 | 68.1° | 73.1° |
| C19 | C20 | C21 | C26 | 110.0° | 106.6° |
| C20 | C19 | C27 | C32 | 116.0° | 65.2° |
| C20 | C19 | C27 | C28 | 65.5° | 115.1° |
| C20 | C19 | C33 | H5 | 65.3° | 61.9° |
| C20 | C19 | C33 | H6 | 54.7° | 58.1° |
| C20 | C19 | C33 | H7 | 174.7° | 178.1° |
| C21 | C20 | C19 | C27 | 27.6° | 0.1° |
| C20 | C21 | C22 | C26 | 178.1° | 179.7° |
| C20 | C21 | C22 | C23 | 177.2° | 179.7° |
| C20 | C21 | C26 | C25 | 178.3° | 180.0° |
| C20 | C21 | C26 | H9 | 1.7° | 0.1° |
| C20 | C21 | C22 | H12 | 2.8° | 0.0° |
| C19 | C27 | C32 | C28 | 178.5° | 179.7° |
| C19 | C27 | C32 | C31 | 179.7° | 180.0° |
| C19 | C27 | C28 | C29 | 179.6° | 180.0° |
| C19 | C27 | C28 | H2 | 0.4° | 0.0° |
| C19 | C27 | C32 | H4 | 0.3° | 0.1° |
| C27 | C19 | C33 | H5 | 60.5° | 60.7° |
| C27 | C19 | C33 | H6 | 179.5° | 179.3° |
| C27 | C19 | C33 | H7 | 59.5° | 59.3° |
| C27 | C19 | C20 | H8 | 96.2° | 122.6° |
| C21 | C22 | C23 | H12 | 180.0° | 179.7° |
| C21 | C22 | C23 | C24 | 1.5° | 0.5° |
| C22 | C21 | C26 | C25 | 0.2° | 0.3° |
| C22 | C21 | C20 | H8 | 168.5° | 164.2° |
| C22 | C21 | C26 | H9 | 179.8° | 179.8° |
| C21 | C22 | C23 | H11 | 178.6° | 179.7° |
| C23 | C22 | C21 | C26 | 0.9° | 0.6° |
| C22 | C23 | C24 | H11 | 180.0° | 179.8° |
| C22 | C23 | C24 | C25 | 0.9° | 0.2° |
| C22 | C23 | C24 | CL1 | 179.4° | 179.7° |
| C21 | C26 | C25 | H9 | 180.0° | 179.9° |
| C21 | C26 | C25 | C24 | 0.7° | 0.0° |
| C26 | C21 | C20 | H8 | 13.4° | 16.1° |
| C21 | C26 | C25 | H10 | 179.3° | 179.9° |
| C26 | C21 | C22 | H12 | 179.1° | 179.7° |
| C27 | C32 | C31 | H4 | 180.0° | 179.9° |
| C32 | C27 | C28 | C29 | 1.1° | 0.3° |
| C27 | C32 | C31 | C30 | 1.5° | 0.0° |
| C32 | C27 | C28 | H2 | 178.9° | 179.7° |
| C27 | C32 | C31 | H3 | 178.5° | 179.9° |
| C28 | C27 | C32 | C31 | 1.9° | 0.3° |
| C27 | C28 | C29 | H2 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 0.0° | 0.0° |
| C27 | C28 | C29 | H1 | 180.0° | 180.0° |
| C28 | C27 | C32 | H4 | 178.1° | 179.7° |
| C32 | C31 | C30 | H3 | 180.0° | 179.9° |
| C32 | C31 | C30 | C29 | 0.3° | 0.3° |
| C32 | C31 | C30 | CL2 | 179.9° | 180.0° |
| C23 | C24 | C25 | C26 | 0.2° | 0.0° |
| C23 | C24 | C25 | CL1 | 178.5° | 179.9° |
| C23 | C24 | C25 | H10 | 179.8° | 180.0° |
| C24 | C23 | C22 | H12 | 178.5° | 179.8° |
| C26 | C25 | C24 | H10 | 180.0° | 180.0° |
| C26 | C25 | C24 | CL1 | 178.3° | 180.0° |
| C28 | C29 | C30 | C31 | 0.4° | 0.3° |
| C28 | C29 | C30 | H1 | 180.0° | 180.0° |
| C28 | C29 | C30 | CL2 | 179.3° | 180.0° |
| C24 | C25 | C26 | H9 | 179.3° | 179.9° |
| C25 | C24 | C23 | H11 | 179.1° | 180.0° |
| CL1 | C24 | C25 | H10 | 1.7° | 0.1° |
| CL1 | C24 | C23 | H11 | 0.6° | 0.1° |
| C31 | C30 | C29 | CL2 | 179.7° | 179.7° |
| C31 | C30 | C29 | H1 | 179.6° | 179.7° |
| C30 | C31 | C32 | H4 | 178.5° | 179.9° |
| C30 | C29 | C28 | H2 | 180.0° | 180.0° |
| C29 | C30 | C31 | H3 | 179.7° | 179.7° |
| CL2 | C30 | C29 | H1 | 0.7° | 0.0° |
| CL2 | C30 | C31 | H3 | 0.1° | 0.0° |
| H1 | C29 | C28 | H2 | 0.0° | 0.0° |
| H3 | C31 | C32 | H4 | 1.5° | 0.0° |
| H5 | C33 | H6 | H7 | 120.0° | 120.0° |
| H9 | C26 | C25 | H10 | 0.7° | 0.0° |
| H11 | C23 | C22 | H12 | 1.5° | 0.0° |
| H13 | C34 | C36 | H14 | 62.7° | 179.9° |
| H13 | C34 | C36 | H15 | 177.4° | 60.0° |
| H13 | C34 | C36 | H16 | 57.4° | 59.9° |
| H13 | C34 | C35 | H17 | 61.6° | 70.5° |
| H13 | C34 | C35 | H18 | 58.4° | 49.4° |
| H13 | C34 | C35 | H19 | 178.4° | 169.5° |
| H14 | C36 | H15 | H16 | 120.0° | 119.9° |
| H17 | C35 | H18 | H19 | 120.0° | 120.0° |
| H21 | C6 | C5 | H22 | 127.1° | 160.1° |
| H21 | C6 | C5 | H20 | 6.9° | 36.2° |
| H22 | C5 | C4 | H23 | 6.3° | 35.8° |
| H22 | C5 | C4 | H43 | 126.7° | 159.0° |
| H23 | C4 | C1 | H24 | 2.6° | 21.0° |
| H23 | C4 | C5 | H20 | 113.9° | 88.1° |
| H24 | C1 | C2 | H25 | 157.8° | 63.9° |
| H24 | C1 | C2 | H26 | 82.2° | 176.1° |
| H24 | C1 | C4 | H43 | 123.1° | 144.2° |
| H25 | C2 | C3 | H27 | 60.0° | 75.4° |
| H25 | C2 | C3 | H28 | 180.0° | 44.5° |
| H25 | C2 | C3 | H29 | 60.0° | 164.5° |
| H26 | C2 | C3 | H27 | 60.0° | 164.6° |
| H26 | C2 | C3 | H28 | 60.0° | 75.5° |
| H26 | C2 | C3 | H29 | 180.0° | 44.5° |
| H27 | C3 | H28 | H29 | 120.0° | 120.0° |
| H30 | C11 | C10 | H32 | 70.0° | 49.5° |
| H31 | C11 | C10 | H32 | 50.0° | 71.0° |
| H32 | C10 | C12 | H33 | 62.2° | 172.8° |
| H32 | C10 | C12 | H34 | 177.9° | 52.9° |
| H32 | C10 | C12 | H35 | 57.9° | 67.2° |
| H33 | C12 | H34 | H35 | 120.0° | 120.0° |
| H36 | C14 | H37 | H38 | 120.0° | 120.1° |
| H39 | C9 | C8 | H41 | 55.5° | 70.9° |
| H39 | C9 | C8 | H42 | 65.4° | 49.5° |
| H40 | C9 | C8 | H41 | 175.1° | 49.5° |
| H40 | C9 | C8 | H42 | 54.3° | 170.0° |
| H20 | C5 | C4 | H43 | 6.6° | 35.2° |
