74G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C10 | O1 | sing | 1.43Å | 1.43Å | |
| C11 | O2 | sing | 1.43Å | 1.42Å | |
| C9 | O1 | sing | 1.43Å | 1.42Å | |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| O2 | C12 | sing | 1.43Å | 1.43Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C8 | N | sing | 1.47Å | 1.45Å | |
| C13 | O3 | sing | 1.43Å | 1.43Å | |
| N | C7 | sing | 1.35Å | 1.33Å | |
| O3 | C14 | sing | 1.43Å | 1.43Å | |
| C7 | O | doub | 1.21Å | 1.22Å | |
| C7 | C6 | sing | 1.51Å | 1.51Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C33 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| C33 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C32 | C31 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C15 | N1 | sing | 1.47Å | 1.45Å | |
| C34 | C35 | doub | 1.40Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.53Å | 1.54Å | |
| C31 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| N1 | C16 | sing | 1.35Å | 1.34Å | |
| O4 | C16 | doub | 1.21Å | 1.22Å | |
| C35 | C30 | sing | 1.40Å | 1.38Å | Aromatic |
| C35 | N2 | sing | 1.40Å | 1.40Å | |
| C16 | C17 | sing | 1.51Å | 1.51Å | |
| C30 | S1 | sing | 1.78Å | 1.70Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| N2 | C17 | sing | 1.47Å | 1.47Å | |
| N2 | C18 | sing | 1.48Å | 1.47Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| S1 | C18 | sing | 1.84Å | 1.77Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C2 | S | sing | 1.85Å | 1.76Å | |
| C2 | C36 | sing | 1.54Å | 1.53Å | |
| C19 | C20 | sing | 1.51Å | 1.48Å | |
| S | C1 | sing | 1.84Å | 1.77Å | |
| C36 | N4 | sing | 1.47Å | 1.46Å | |
| C36 | C | sing | 1.53Å | 1.55Å | |
| N4 | C37 | sing | 1.34Å | 1.33Å | |
| C20 | C21 | doub | 1.37Å | 1.39Å | Aromatic |
| C20 | C29 | sing | 1.41Å | 1.40Å | Aromatic |
| C28 | C29 | doub | 1.40Å | 1.39Å | Aromatic |
| C28 | C27 | sing | 1.36Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| C37 | O5 | doub | 1.22Å | 1.22Å | |
| C37 | N5 | sing | 1.34Å | 1.33Å | |
| C29 | C24 | sing | 1.42Å | 1.39Å | Aromatic |
| C1 | C | sing | 1.54Å | 1.53Å | |
| C | N5 | sing | 1.47Å | 1.45Å | |
| C27 | C26 | doub | 1.39Å | 1.39Å | Aromatic |
| C22 | N3 | doub | 1.31Å | 1.34Å | Aromatic |
| C24 | N3 | sing | 1.34Å | 1.41Å | Aromatic |
| C24 | C25 | doub | 1.41Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.36Å | 1.39Å | Aromatic |
| N3 | C23 | sing | 1.47Å | 1.47Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| N | H2 | sing | 0.97Å | 1.00Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| N4 | H8 | sing | 0.97Å | 1.00Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| N5 | H11 | sing | 0.97Å | 1.00Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| C6 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| C10 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C12 | H23 | sing | 1.09Å | 1.10Å | |
| C36 | H24 | sing | 1.09Å | 1.10Å | |
| C1 | H25 | sing | 1.09Å | 1.10Å | |
| C1 | H26 | sing | 1.09Å | 1.10Å | |
| C13 | H27 | sing | 1.09Å | 1.10Å | |
| C13 | H28 | sing | 1.09Å | 1.10Å | |
| C14 | H29 | sing | 1.09Å | 1.10Å | |
| C14 | H30 | sing | 1.09Å | 1.10Å | |
| C15 | H31 | sing | 1.09Å | 1.10Å | |
| C15 | H32 | sing | 1.09Å | 1.10Å | |
| N1 | H33 | sing | 0.97Å | 1.00Å | |
| C17 | H34 | sing | 1.09Å | 1.10Å | |
| C17 | H35 | sing | 1.09Å | 1.10Å | |
| C34 | H36 | sing | 1.08Å | 1.08Å | |
| C33 | H37 | sing | 1.08Å | 1.08Å | |
| C32 | H38 | sing | 1.08Å | 1.08Å | |
| C31 | H39 | sing | 1.08Å | 1.08Å | |
| C18 | H40 | sing | 1.09Å | 1.10Å | |
| C19 | H41 | sing | 1.09Å | 1.10Å | |
| C19 | H42 | sing | 1.09Å | 1.10Å | |
| C28 | H43 | sing | 1.08Å | 1.08Å | |
| C27 | H44 | sing | 1.08Å | 1.08Å | |
| C26 | H45 | sing | 1.08Å | 1.08Å | |
| C25 | H46 | sing | 1.08Å | 1.08Å | |
| C23 | H47 | sing | 1.09Å | 1.10Å | |
| C23 | H48 | sing | 1.09Å | 1.10Å | |
| C22 | H50 | sing | 1.08Å | 1.08Å | |
| C21 | H51 | sing | 1.08Å | 1.08Å | |
| C23 | H49 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | O1 | 108.6° | 109.5° |
| C10 | C11 | O2 | 108.8° | 109.5° |
| C11 | C10 | H18 | 109.7° | 109.5° |
| C11 | C10 | H19 | 109.7° | 109.5° |
| C10 | C11 | H20 | 109.7° | 109.5° |
| C10 | C11 | H21 | 109.6° | 109.5° |
| C10 | O1 | C9 | 112.4° | 114.0° |
| O1 | C10 | H18 | 109.7° | 109.5° |
| O1 | C10 | H19 | 109.7° | 109.5° |
| C11 | O2 | C12 | 112.2° | 114.0° |
| O2 | C11 | H20 | 109.7° | 109.5° |
| O2 | C11 | H21 | 109.7° | 109.4° |
| O1 | C9 | C8 | 109.3° | 109.5° |
| O1 | C9 | H16 | 109.5° | 109.4° |
| O1 | C9 | H17 | 109.5° | 109.5° |
| C9 | C8 | N | 112.5° | 109.5° |
| C9 | C8 | H14 | 108.7° | 109.5° |
| C9 | C8 | H15 | 108.7° | 109.4° |
| C8 | C9 | H16 | 109.5° | 109.5° |
| C8 | C9 | H17 | 109.5° | 109.5° |
| O2 | C12 | C13 | 108.7° | 109.5° |
| O2 | C12 | H22 | 109.7° | 109.4° |
| O2 | C12 | H23 | 109.6° | 109.5° |
| C12 | C13 | O3 | 110.3° | 109.5° |
| C13 | C12 | H22 | 109.7° | 109.5° |
| C13 | C12 | H23 | 109.7° | 109.5° |
| C12 | C13 | H27 | 109.3° | 109.5° |
| C12 | C13 | H28 | 109.2° | 109.5° |
| C8 | N | C7 | 122.0° | 120.0° |
| C8 | N | H2 | 119.0° | 120.0° |
| N | C8 | H14 | 108.7° | 109.5° |
| N | C8 | H15 | 108.7° | 109.4° |
| C13 | O3 | C14 | 112.3° | 114.0° |
| O3 | C13 | H27 | 109.3° | 109.5° |
| O3 | C13 | H28 | 109.3° | 109.4° |
| N | C7 | O | 123.8° | 120.0° |
| N | C7 | C6 | 116.0° | 120.0° |
| C7 | N | H2 | 119.0° | 120.0° |
| O3 | C14 | C15 | 109.2° | 109.5° |
| O3 | C14 | H29 | 109.5° | 109.5° |
| O3 | C14 | H30 | 109.6° | 109.5° |
| O | C7 | C6 | 120.3° | 120.0° |
| C7 | C6 | C5 | 109.0° | 109.5° |
| C7 | C6 | H12 | 109.6° | 109.5° |
| C7 | C6 | H13 | 109.6° | 109.5° |
| C14 | C15 | N1 | 110.1° | 109.5° |
| C15 | C14 | H29 | 109.5° | 109.5° |
| C15 | C14 | H30 | 109.5° | 109.5° |
| C14 | C15 | H31 | 109.3° | 109.5° |
| C14 | C15 | H32 | 109.3° | 109.5° |
| C32 | C33 | C34 | 120.1° | 120.9° |
| C33 | C32 | C31 | 121.3° | 119.2° |
| C32 | C33 | H37 | 119.9° | 119.5° |
| C33 | C32 | H38 | 119.4° | 120.4° |
| C33 | C34 | C35 | 118.2° | 121.0° |
| C33 | C34 | H36 | 120.9° | 119.5° |
| C34 | C33 | H37 | 119.9° | 119.6° |
| C32 | C31 | C30 | 118.0° | 120.1° |
| C31 | C32 | H38 | 119.4° | 120.4° |
| C32 | C31 | H39 | 121.0° | 120.0° |
| C6 | C5 | C4 | 110.4° | 109.5° |
| C6 | C5 | H9 | 109.2° | 109.5° |
| C6 | C5 | H10 | 109.2° | 109.5° |
| C5 | C6 | H12 | 109.6° | 109.4° |
| C5 | C6 | H13 | 109.6° | 109.5° |
| C15 | N1 | C16 | 123.9° | 120.0° |
| N1 | C15 | H31 | 109.3° | 109.4° |
| N1 | C15 | H32 | 109.3° | 109.4° |
| C15 | N1 | H33 | 118.1° | 119.9° |
| C34 | C35 | C30 | 121.5° | 117.1° |
| C34 | C35 | N2 | 125.7° | 126.5° |
| C35 | C34 | H36 | 120.9° | 119.5° |
| C5 | C4 | C3 | 110.2° | 109.5° |
| C5 | C4 | H6 | 109.3° | 109.5° |
| C5 | C4 | H7 | 109.3° | 109.5° |
| C4 | C5 | H9 | 109.2° | 109.5° |
| C4 | C5 | H10 | 109.2° | 109.5° |
| C31 | C30 | C35 | 120.8° | 121.7° |
| C31 | C30 | S1 | 126.8° | 131.9° |
| C30 | C31 | H39 | 121.0° | 120.0° |
| N1 | C16 | O4 | 124.7° | 120.0° |
| N1 | C16 | C17 | 114.8° | 120.0° |
| C16 | N1 | H33 | 118.1° | 120.0° |
| O4 | C16 | C17 | 120.5° | 120.0° |
| C30 | C35 | N2 | 112.7° | 116.4° |
| C35 | C30 | S1 | 112.4° | 106.4° |
| C35 | N2 | C17 | 127.5° | 111.0° |
| C35 | N2 | C18 | 114.6° | 113.6° |
| C16 | C17 | N2 | 118.0° | 109.5° |
| C16 | C17 | H34 | 107.3° | 109.5° |
| C16 | C17 | H35 | 107.3° | 109.4° |
| C30 | S1 | C18 | 94.2° | 94.9° |
| C4 | C3 | C2 | 111.7° | 109.5° |
| C4 | C3 | H4 | 108.9° | 109.5° |
| C4 | C3 | H5 | 108.9° | 109.5° |
| C3 | C4 | H6 | 109.3° | 109.5° |
| C3 | C4 | H7 | 109.3° | 109.5° |
| C17 | N2 | C18 | 116.8° | 111.0° |
| N2 | C17 | H34 | 107.3° | 109.5° |
| N2 | C17 | H35 | 107.3° | 109.4° |
| N2 | C18 | S1 | 105.2° | 100.7° |
| N2 | C18 | C19 | 116.5° | 111.2° |
| N2 | C18 | H40 | 105.3° | 111.2° |
| C3 | C2 | S | 111.2° | 110.8° |
| C3 | C2 | C36 | 113.8° | 111.0° |
| C3 | C2 | H3 | 109.8° | 110.8° |
| C2 | C3 | H4 | 108.9° | 109.5° |
| C2 | C3 | H5 | 108.9° | 109.5° |
| S1 | C18 | C19 | 120.6° | 111.2° |
| S1 | C18 | H40 | 102.6° | 111.2° |
| C18 | C19 | C20 | 118.6° | 109.5° |
| C19 | C18 | H40 | 104.8° | 111.1° |
| C18 | C19 | H41 | 107.2° | 109.5° |
| C18 | C19 | H42 | 107.1° | 109.5° |
| S | C2 | C36 | 105.0° | 102.6° |
| C2 | S | C1 | 95.9° | 94.7° |
| S | C2 | H3 | 107.1° | 110.7° |
| C2 | C36 | N4 | 110.7° | 109.2° |
| C2 | C36 | C | 108.9° | 112.4° |
| C36 | C2 | H3 | 109.7° | 110.7° |
| C2 | C36 | H24 | 111.1° | 110.3° |
| C19 | C20 | C21 | 119.6° | 120.9° |
| C19 | C20 | C29 | 121.4° | 120.9° |
| C20 | C19 | H41 | 107.1° | 109.5° |
| C20 | C19 | H42 | 107.2° | 109.5° |
| S | C1 | C | 105.3° | 102.7° |
| S | C1 | H25 | 110.5° | 110.8° |
| S | C1 | H26 | 110.5° | 110.7° |
| N4 | C36 | C | 102.6° | 104.0° |
| C36 | N4 | C37 | 111.6° | 109.1° |
| C36 | N4 | H8 | 124.2° | 125.4° |
| N4 | C36 | H24 | 112.2° | 110.2° |
| C36 | C | C1 | 111.7° | 112.7° |
| C36 | C | N5 | 102.4° | 104.0° |
| C36 | C | H1 | 111.1° | 110.3° |
| C | C36 | H24 | 110.9° | 110.5° |
| N4 | C37 | O5 | 125.1° | 123.1° |
| N4 | C37 | N5 | 110.5° | 113.9° |
| C37 | N4 | H8 | 124.2° | 125.5° |
| C21 | C20 | C29 | 119.0° | 118.2° |
| C20 | C21 | C22 | 120.6° | 119.9° |
| C20 | C21 | H51 | 119.7° | 120.0° |
| C20 | C29 | C28 | 120.7° | 121.4° |
| C20 | C29 | C24 | 119.6° | 119.0° |
| C29 | C28 | C27 | 120.4° | 119.6° |
| C28 | C29 | C24 | 119.7° | 119.6° |
| C29 | C28 | H43 | 119.8° | 120.2° |
| C28 | C27 | C26 | 119.9° | 120.9° |
| C27 | C28 | H43 | 119.8° | 120.2° |
| C28 | C27 | H44 | 120.1° | 119.6° |
| C21 | C22 | N3 | 120.7° | 121.8° |
| C21 | C22 | H50 | 119.6° | 119.1° |
| C22 | C21 | H51 | 119.7° | 120.1° |
| O5 | C37 | N5 | 124.4° | 123.0° |
| C37 | N5 | C | 112.4° | 109.1° |
| C37 | N5 | H11 | 123.8° | 125.5° |
| C29 | C24 | N3 | 119.8° | 119.8° |
| C29 | C24 | C25 | 120.0° | 119.1° |
| C1 | C | N5 | 107.4° | 109.2° |
| C1 | C | H1 | 111.4° | 110.3° |
| C | C1 | H25 | 110.5° | 110.7° |
| C | C1 | H26 | 110.5° | 110.8° |
| N5 | C | H1 | 112.5° | 110.2° |
| C | N5 | H11 | 123.8° | 125.4° |
| C27 | C26 | C25 | 119.9° | 121.1° |
| C26 | C27 | H44 | 120.1° | 119.6° |
| C27 | C26 | H45 | 120.0° | 119.4° |
| C22 | N3 | C24 | 120.2° | 121.4° |
| C22 | N3 | C23 | 119.8° | 119.3° |
| N3 | C22 | H50 | 119.6° | 119.1° |
| N3 | C24 | C25 | 120.2° | 121.1° |
| C24 | N3 | C23 | 120.0° | 119.3° |
| C24 | C25 | C26 | 120.1° | 119.7° |
| C24 | C25 | H46 | 119.9° | 120.1° |
| C25 | C26 | H45 | 120.0° | 119.5° |
| C26 | C25 | H46 | 119.9° | 120.1° |
| N3 | C23 | H47 | 109.5° | 109.5° |
| N3 | C23 | H48 | 109.4° | 109.4° |
| N3 | C23 | H49 | 109.4° | 109.5° |
| H4 | C3 | H5 | 109.5° | 109.4° |
| H6 | C4 | H7 | 109.5° | 109.4° |
| H9 | C5 | H10 | 109.5° | 109.4° |
| H12 | C6 | H13 | 109.5° | 109.4° |
| H14 | C8 | H15 | 109.5° | 109.5° |
| H16 | C9 | H17 | 109.4° | 109.5° |
| H18 | C10 | H19 | 109.5° | 109.5° |
| H20 | C11 | H21 | 109.5° | 109.4° |
| H22 | C12 | H23 | 109.5° | 109.5° |
| H25 | C1 | H26 | 109.5° | 110.8° |
| H27 | C13 | H28 | 109.4° | 109.5° |
| H29 | C14 | H30 | 109.5° | 109.4° |
| H31 | C15 | H32 | 109.5° | 109.5° |
| H34 | C17 | H35 | 109.5° | 109.5° |
| H41 | C19 | H42 | 109.5° | 109.5° |
| H47 | C23 | H48 | 109.5° | 109.5° |
| H47 | C23 | H49 | 109.5° | 109.5° |
| H48 | C23 | H49 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | O1 | H18 | 119.9° | 120.0° |
| C11 | C10 | O1 | H19 | 119.9° | 120.0° |
| C10 | C11 | O2 | H20 | 119.9° | 120.1° |
| C10 | C11 | O2 | H21 | 119.9° | 120.0° |
| C11 | C10 | O1 | C9 | 167.5° | 180.0° |
| C10 | C11 | O2 | C12 | 162.2° | 180.0° |
| C11 | C10 | H18 | H19 | 120.4° | 120.0° |
| C10 | C11 | H20 | H21 | 120.3° | 120.0° |
| O1 | C10 | C11 | O2 | 66.2° | 65.0° |
| C10 | O1 | C9 | C8 | 171.9° | 180.0° |
| C10 | O1 | C9 | H16 | 68.2° | 60.0° |
| C10 | O1 | C9 | H17 | 51.9° | 60.0° |
| O1 | C10 | H18 | H19 | 120.4° | 120.0° |
| O1 | C10 | C11 | H20 | 53.7° | 55.0° |
| O1 | C10 | C11 | H21 | 173.9° | 175.0° |
| C11 | O2 | C12 | C13 | 174.8° | 180.0° |
| O2 | C11 | C10 | H18 | 53.6° | 175.0° |
| O2 | C11 | C10 | H19 | 173.9° | 55.0° |
| O2 | C11 | H20 | H21 | 120.3° | 119.9° |
| C11 | O2 | C12 | H22 | 65.3° | 60.0° |
| C11 | O2 | C12 | H23 | 54.9° | 60.0° |
| O1 | C9 | C8 | H16 | 120.0° | 120.0° |
| O1 | C9 | C8 | H17 | 120.0° | 120.0° |
| O1 | C9 | C8 | N | 80.5° | 65.0° |
| O1 | C9 | C8 | H14 | 159.0° | 55.0° |
| O1 | C9 | C8 | H15 | 39.9° | 175.0° |
| O1 | C9 | H16 | H17 | 120.1° | 120.0° |
| C9 | O1 | C10 | H18 | 72.6° | 60.0° |
| C9 | O1 | C10 | H19 | 47.6° | 60.0° |
| C9 | C8 | N | H14 | 120.4° | 120.0° |
| C9 | C8 | N | H15 | 120.5° | 119.9° |
| C9 | C8 | N | C7 | 153.7° | 180.0° |
| C9 | C8 | N | H2 | 26.3° | 0.0° |
| C9 | C8 | H14 | H15 | 118.6° | 120.0° |
| C8 | C9 | H16 | H17 | 120.1° | 120.1° |
| O2 | C12 | C13 | H22 | 119.9° | 120.0° |
| O2 | C12 | C13 | H23 | 119.9° | 120.0° |
| O2 | C12 | C13 | O3 | 55.3° | 65.0° |
| C12 | O2 | C11 | H20 | 42.3° | 59.9° |
| C12 | O2 | C11 | H21 | 77.9° | 60.0° |
| O2 | C12 | H22 | H23 | 120.3° | 120.0° |
| O2 | C12 | C13 | H27 | 175.5° | 55.0° |
| O2 | C12 | C13 | H28 | 64.8° | 175.0° |
| C12 | C13 | O3 | H27 | 120.1° | 120.0° |
| C12 | C13 | O3 | H28 | 120.1° | 120.0° |
| C12 | C13 | O3 | C14 | 62.6° | 180.0° |
| C13 | C12 | H22 | H23 | 120.4° | 120.0° |
| C12 | C13 | H27 | H28 | 119.6° | 120.0° |
| C8 | N | C7 | H2 | 180.0° | 180.0° |
| C8 | N | C7 | O | 8.2° | 0.0° |
| C8 | N | C7 | C6 | 172.3° | 180.0° |
| N | C8 | H14 | H15 | 118.6° | 120.0° |
| N | C8 | C9 | H16 | 39.4° | 175.0° |
| N | C8 | C9 | H17 | 159.5° | 55.0° |
| C13 | O3 | C14 | C15 | 158.9° | 180.0° |
| O3 | C13 | C12 | H22 | 64.6° | 55.0° |
| O3 | C13 | C12 | H23 | 175.2° | 175.0° |
| O3 | C13 | H27 | H28 | 119.6° | 120.0° |
| C13 | O3 | C14 | H29 | 81.2° | 60.0° |
| C13 | O3 | C14 | H30 | 38.9° | 60.0° |
| N | C7 | O | C6 | 179.5° | 180.0° |
| N | C7 | C6 | C5 | 120.4° | 180.0° |
| N | C7 | C6 | H12 | 0.5° | 60.0° |
| N | C7 | C6 | H13 | 119.7° | 60.0° |
| C7 | N | C8 | H14 | 85.9° | 60.0° |
| C7 | N | C8 | H15 | 33.2° | 60.0° |
| O3 | C14 | C15 | H29 | 119.9° | 120.0° |
| O3 | C14 | C15 | H30 | 120.0° | 120.0° |
| O3 | C14 | C15 | N1 | 60.6° | 65.0° |
| C14 | O3 | C13 | H27 | 57.5° | 60.0° |
| C14 | O3 | C13 | H28 | 177.2° | 60.0° |
| O3 | C14 | H29 | H30 | 120.1° | 120.0° |
| O3 | C14 | C15 | H31 | 59.4° | 175.0° |
| O3 | C14 | C15 | H32 | 179.3° | 55.0° |
| O | C7 | C6 | C5 | 60.0° | 0.0° |
| O | C7 | N | H2 | 171.8° | 180.0° |
| O | C7 | C6 | H12 | 180.0° | 120.0° |
| O | C7 | C6 | H13 | 59.9° | 120.1° |
| C7 | C6 | C5 | H12 | 119.9° | 120.0° |
| C7 | C6 | C5 | H13 | 120.0° | 120.0° |
| C7 | C6 | C5 | C4 | 178.8° | 180.0° |
| C6 | C7 | N | H2 | 7.8° | 0.0° |
| C7 | C6 | C5 | H9 | 58.7° | 60.0° |
| C7 | C6 | C5 | H10 | 61.0° | 60.0° |
| C7 | C6 | H12 | H13 | 120.2° | 120.0° |
| C14 | C15 | N1 | H31 | 120.1° | 120.0° |
| C14 | C15 | N1 | H32 | 120.1° | 120.0° |
| C14 | C15 | N1 | C16 | 109.7° | 180.0° |
| C15 | C14 | H29 | H30 | 120.1° | 120.0° |
| C14 | C15 | H31 | H32 | 119.7° | 120.0° |
| C14 | C15 | N1 | H33 | 70.3° | 0.0° |
| C32 | C33 | C34 | H37 | 180.0° | 180.0° |
| C33 | C32 | C31 | H38 | 180.0° | 180.0° |
| C32 | C33 | C34 | C35 | 1.7° | 0.1° |
| C33 | C32 | C31 | C30 | 0.9° | 0.0° |
| C32 | C33 | C34 | H36 | 178.3° | 180.0° |
| C33 | C32 | C31 | H39 | 179.1° | 180.0° |
| C34 | C33 | C32 | C31 | 1.2° | 0.2° |
| C33 | C34 | C35 | H36 | 180.0° | 179.9° |
| C33 | C34 | C35 | C30 | 2.1° | 0.6° |
| C33 | C34 | C35 | N2 | 177.1° | 179.2° |
| C34 | C33 | C32 | H38 | 178.9° | 179.8° |
| C32 | C31 | C30 | H39 | 180.0° | 180.0° |
| C32 | C31 | C30 | C35 | 1.2° | 0.5° |
| C32 | C31 | C30 | S1 | 179.9° | 178.9° |
| C31 | C32 | C33 | H37 | 178.8° | 179.8° |
| C6 | C5 | C4 | H9 | 120.2° | 120.0° |
| C6 | C5 | C4 | H10 | 120.2° | 120.1° |
| C6 | C5 | C4 | C3 | 178.5° | 180.0° |
| C6 | C5 | C4 | H6 | 61.4° | 60.0° |
| C6 | C5 | C4 | H7 | 58.4° | 59.9° |
| C6 | C5 | H9 | H10 | 119.6° | 120.0° |
| C5 | C6 | H12 | H13 | 120.2° | 120.0° |
| C15 | N1 | C16 | H33 | 180.0° | 179.9° |
| C15 | N1 | C16 | O4 | 2.4° | 0.0° |
| C15 | N1 | C16 | C17 | 175.5° | 180.0° |
| N1 | C15 | C14 | H29 | 179.4° | 55.0° |
| N1 | C15 | C14 | H30 | 59.3° | 175.0° |
| N1 | C15 | H31 | H32 | 119.7° | 120.0° |
| C34 | C35 | C30 | C31 | 1.9° | 0.8° |
| C34 | C35 | C30 | N2 | 175.6° | 179.8° |
| C34 | C35 | C30 | S1 | 179.3° | 178.7° |
| C34 | C35 | N2 | C17 | 4.5° | 75.6° |
| C34 | C35 | N2 | C18 | 171.7° | 158.4° |
| C35 | C34 | C33 | H37 | 178.3° | 180.0° |
| C5 | C4 | C3 | H6 | 120.1° | 120.0° |
| C5 | C4 | C3 | H7 | 120.1° | 120.1° |
| C5 | C4 | C3 | C2 | 178.7° | 180.0° |
| C5 | C4 | C3 | H4 | 61.0° | 60.0° |
| C5 | C4 | C3 | H5 | 58.4° | 59.9° |
| C5 | C4 | H6 | H7 | 119.7° | 120.0° |
| C4 | C5 | H9 | H10 | 119.5° | 120.0° |
| C4 | C5 | C6 | H12 | 61.2° | 60.0° |
| C4 | C5 | C6 | H13 | 58.9° | 59.9° |
| C31 | C30 | C35 | S1 | 178.9° | 179.5° |
| C31 | C30 | C35 | N2 | 177.5° | 179.0° |
| C31 | C30 | S1 | C18 | 173.5° | 165.5° |
| C30 | C31 | C32 | H38 | 179.1° | 180.0° |
| N1 | C16 | O4 | C17 | 177.8° | 180.0° |
| N1 | C16 | C17 | N2 | 137.9° | 174.2° |
| C16 | N1 | C15 | H31 | 10.3° | 60.0° |
| C16 | N1 | C15 | H32 | 130.2° | 60.0° |
| N1 | C16 | C17 | H34 | 100.9° | 65.7° |
| N1 | C16 | C17 | H35 | 16.6° | 54.3° |
| O4 | C16 | C17 | N2 | 44.1° | 5.8° |
| O4 | C16 | N1 | H33 | 177.6° | 179.9° |
| O4 | C16 | C17 | H34 | 77.1° | 114.2° |
| O4 | C16 | C17 | H35 | 165.4° | 125.8° |
| C30 | C35 | N2 | C17 | 170.9° | 104.1° |
| C30 | C35 | N2 | C18 | 3.7° | 21.8° |
| C35 | C30 | S1 | C18 | 7.7° | 14.0° |
| C30 | C35 | C34 | H36 | 177.9° | 179.5° |
| C35 | C30 | C31 | H39 | 178.8° | 179.4° |
| C35 | N2 | C17 | C16 | 68.3° | 157.0° |
| N2 | C35 | C30 | S1 | 3.6° | 1.5° |
| C35 | N2 | C17 | C18 | 167.0° | 127.3° |
| C35 | N2 | C18 | S1 | 8.8° | 28.9° |
| C35 | N2 | C18 | C19 | 145.3° | 88.9° |
| C35 | N2 | C17 | H34 | 170.5° | 36.9° |
| C35 | N2 | C17 | H35 | 53.0° | 83.1° |
| N2 | C35 | C34 | H36 | 2.9° | 0.7° |
| C35 | N2 | C18 | H40 | 99.2° | 146.8° |
| C16 | C17 | N2 | H34 | 121.2° | 120.1° |
| C16 | C17 | N2 | H35 | 121.2° | 119.9° |
| C16 | C17 | N2 | C18 | 124.8° | 75.7° |
| C17 | C16 | N1 | H33 | 4.5° | 0.1° |
| C16 | C17 | H34 | H35 | 116.1° | 120.0° |
| C30 | S1 | C18 | N2 | 9.0° | 23.8° |
| C30 | S1 | C18 | C19 | 143.3° | 94.1° |
| S1 | C30 | C31 | H39 | 0.1° | 1.2° |
| C30 | S1 | C18 | H40 | 100.9° | 141.6° |
| C4 | C3 | C2 | H4 | 120.3° | 120.0° |
| C4 | C3 | C2 | H5 | 120.3° | 120.0° |
| C4 | C3 | C2 | S | 170.8° | 66.4° |
| C4 | C3 | C2 | C36 | 71.0° | 179.7° |
| C4 | C3 | C2 | H3 | 52.5° | 56.9° |
| C4 | C3 | H4 | H5 | 119.0° | 119.9° |
| C3 | C4 | H6 | H7 | 119.7° | 120.0° |
| C3 | C4 | C5 | H9 | 58.3° | 60.0° |
| C3 | C4 | C5 | H10 | 61.4° | 59.9° |
| C17 | N2 | C18 | S1 | 177.4° | 97.0° |
| C17 | N2 | C18 | C19 | 46.1° | 145.2° |
| N2 | C17 | H34 | H35 | 116.1° | 120.0° |
| C17 | N2 | C18 | H40 | 69.5° | 20.9° |
| N2 | C18 | S1 | C19 | 134.2° | 117.9° |
| N2 | C18 | S1 | H40 | 109.9° | 117.8° |
| N2 | C18 | C19 | H40 | 115.8° | 124.3° |
| N2 | C18 | C19 | C20 | 164.3° | 180.0° |
| C18 | N2 | C17 | H34 | 3.6° | 164.3° |
| C18 | N2 | C17 | H35 | 114.0° | 44.3° |
| N2 | C18 | C19 | H41 | 74.4° | 60.0° |
| N2 | C18 | C19 | H42 | 43.0° | 60.0° |
| C3 | C2 | S | C36 | 123.5° | 118.5° |
| C3 | C2 | S | H3 | 119.9° | 123.4° |
| C3 | C2 | C36 | H3 | 123.4° | 123.5° |
| C3 | C2 | S | C1 | 158.6° | 153.0° |
| C3 | C2 | C36 | N4 | 38.9° | 27.8° |
| C3 | C2 | C36 | C | 151.0° | 142.7° |
| C2 | C3 | H4 | H5 | 119.0° | 120.0° |
| C2 | C3 | C4 | H6 | 58.6° | 60.0° |
| C2 | C3 | C4 | H7 | 61.3° | 59.9° |
| C3 | C2 | C36 | H24 | 86.5° | 93.5° |
| S1 | C18 | C19 | H40 | 114.7° | 124.3° |
| S1 | C18 | C19 | C20 | 66.3° | 68.7° |
| S1 | C18 | C19 | H41 | 55.0° | 51.3° |
| S1 | C18 | C19 | H42 | 172.4° | 171.3° |
| C18 | C19 | C20 | H41 | 121.3° | 120.0° |
| C18 | C19 | C20 | H42 | 121.3° | 120.0° |
| C18 | C19 | C20 | C21 | 2.7° | 95.1° |
| C18 | C19 | C20 | C29 | 177.7° | 85.3° |
| C18 | C19 | H41 | H42 | 115.9° | 120.0° |
| S | C2 | C36 | H3 | 114.7° | 118.2° |
| S | C2 | C36 | N4 | 83.0° | 90.5° |
| S | C2 | C36 | C | 29.2° | 24.4° |
| C2 | S | C1 | C | 29.8° | 34.6° |
| S | C2 | C3 | H4 | 68.9° | 53.6° |
| S | C2 | C3 | H5 | 50.4° | 173.5° |
| S | C2 | C36 | H24 | 151.7° | 148.2° |
| C2 | S | C1 | H25 | 149.2° | 83.6° |
| C2 | S | C1 | H26 | 89.5° | 153.0° |
| C36 | C2 | S | C1 | 35.1° | 34.5° |
| C2 | C36 | N4 | C | 116.1° | 120.2° |
| C2 | C36 | N4 | H24 | 124.8° | 121.3° |
| C2 | C36 | C | H24 | 122.6° | 123.7° |
| C2 | C36 | N4 | C37 | 123.0° | 120.2° |
| C2 | C36 | C | C1 | 8.7° | 0.1° |
| C2 | C36 | C | N5 | 123.3° | 118.0° |
| C2 | C36 | C | H1 | 116.3° | 123.8° |
| C36 | C2 | C3 | H4 | 49.4° | 59.7° |
| C36 | C2 | C3 | H5 | 168.7° | 60.3° |
| C2 | C36 | N4 | H8 | 57.0° | 59.8° |
| C19 | C20 | C21 | C29 | 179.6° | 179.6° |
| C19 | C20 | C29 | C28 | 0.3° | 0.1° |
| C19 | C20 | C21 | C22 | 179.8° | 180.0° |
| C19 | C20 | C29 | C24 | 179.7° | 180.0° |
| C20 | C19 | C18 | H40 | 48.4° | 55.7° |
| C20 | C19 | H41 | H42 | 115.9° | 120.0° |
| C19 | C20 | C21 | H51 | 0.2° | 0.4° |
| S | C1 | C | C36 | 15.8° | 24.8° |
| S | C1 | C | H25 | 119.4° | 118.3° |
| S | C1 | C | H26 | 119.3° | 118.3° |
| S | C1 | C | N5 | 95.7° | 90.2° |
| S | C1 | C | H1 | 140.6° | 148.5° |
| C1 | S | C2 | H3 | 81.5° | 83.6° |
| S | C1 | H25 | H26 | 121.9° | 123.4° |
| N4 | C36 | C | H24 | 120.0° | 118.3° |
| C36 | N4 | C37 | H8 | 180.0° | 180.0° |
| C36 | N4 | C37 | O5 | 174.1° | 180.0° |
| C36 | N4 | C37 | N5 | 5.1° | 0.0° |
| N4 | C36 | C | C1 | 108.7° | 118.2° |
| N4 | C36 | C | N5 | 5.9° | 0.0° |
| N4 | C36 | C | H1 | 126.3° | 118.1° |
| N4 | C36 | C2 | H3 | 162.3° | 151.3° |
| C | C36 | N4 | C37 | 6.9° | 0.0° |
| C36 | C | N5 | C37 | 3.5° | 0.0° |
| C36 | C | C1 | N5 | 111.5° | 115.0° |
| C36 | C | C1 | H1 | 124.9° | 123.7° |
| C36 | C | N5 | H1 | 119.4° | 118.2° |
| C | C36 | C2 | H3 | 85.6° | 93.8° |
| C | C36 | N4 | H8 | 173.1° | 180.0° |
| C36 | C | N5 | H11 | 176.5° | 180.0° |
| C36 | C | C1 | H25 | 135.1° | 93.5° |
| C36 | C | C1 | H26 | 103.6° | 143.1° |
| N4 | C37 | O5 | N5 | 179.1° | 179.9° |
| N4 | C37 | N5 | C | 0.8° | 0.0° |
| N4 | C37 | N5 | H11 | 179.3° | 180.0° |
| C37 | N4 | C36 | H24 | 112.2° | 118.5° |
| C21 | C20 | C29 | C28 | 179.3° | 179.7° |
| C20 | C21 | C22 | H51 | 180.0° | 179.6° |
| C21 | C20 | C29 | C24 | 0.1° | 0.3° |
| C20 | C21 | C22 | N3 | 0.0° | 0.1° |
| C21 | C20 | C19 | H41 | 118.6° | 144.9° |
| C21 | C20 | C19 | H42 | 124.0° | 25.0° |
| C20 | C21 | C22 | H50 | 180.0° | 179.9° |
| C20 | C29 | C28 | C24 | 179.4° | 180.0° |
| C20 | C29 | C28 | C27 | 180.0° | 180.0° |
| C29 | C20 | C21 | C22 | 0.2° | 0.3° |
| C20 | C29 | C24 | N3 | 0.1° | 0.1° |
| C20 | C29 | C24 | C25 | 179.9° | 180.0° |
| C29 | C20 | C19 | H41 | 61.0° | 34.7° |
| C29 | C20 | C19 | H42 | 56.4° | 154.7° |
| C20 | C29 | C28 | H43 | 0.0° | 0.0° |
| C29 | C20 | C21 | H51 | 179.8° | 180.0° |
| C29 | C28 | C27 | H43 | 180.0° | 180.0° |
| C29 | C28 | C27 | C26 | 0.3° | 0.1° |
| C28 | C29 | C24 | N3 | 179.5° | 180.0° |
| C28 | C29 | C24 | C25 | 0.7° | 0.0° |
| C29 | C28 | C27 | H44 | 179.6° | 179.9° |
| C27 | C28 | C29 | C24 | 0.6° | 0.1° |
| C28 | C27 | C26 | H44 | 180.0° | 179.8° |
| C28 | C27 | C26 | C25 | 0.1° | 0.1° |
| C28 | C27 | C26 | H45 | 179.9° | 179.9° |
| C21 | C22 | N3 | H50 | 180.0° | 180.0° |
| C21 | C22 | N3 | C24 | 0.2° | 0.2° |
| C21 | C22 | N3 | C23 | 179.9° | 180.0° |
| O5 | C37 | N5 | C | 178.5° | 180.0° |
| O5 | C37 | N4 | H8 | 5.9° | 0.0° |
| O5 | C37 | N5 | H11 | 1.5° | 0.1° |
| C37 | N5 | C | C1 | 114.2° | 120.5° |
| C37 | N5 | C | H11 | 180.0° | 180.0° |
| C37 | N5 | C | H1 | 122.9° | 118.2° |
| N5 | C37 | N4 | H8 | 174.9° | 180.0° |
| C29 | C24 | N3 | C22 | 0.2° | 0.2° |
| C29 | C24 | N3 | C25 | 179.8° | 180.0° |
| C29 | C24 | C25 | C26 | 0.4° | 0.0° |
| C29 | C24 | N3 | C23 | 180.0° | 180.0° |
| C24 | C29 | C28 | H43 | 179.4° | 180.0° |
| C29 | C24 | C25 | H46 | 179.6° | 180.0° |
| C1 | C | N5 | H1 | 122.9° | 121.3° |
| C1 | C | N5 | H11 | 65.8° | 59.5° |
| C1 | C | C36 | H24 | 131.3° | 123.5° |
| C | C1 | H25 | H26 | 121.9° | 123.4° |
| N5 | C | C36 | H24 | 114.1° | 118.3° |
| N5 | C | C1 | H25 | 23.6° | 151.5° |
| N5 | C | C1 | H26 | 144.9° | 28.1° |
| C27 | C26 | C25 | C24 | 0.2° | 0.0° |
| C27 | C26 | C25 | H45 | 180.0° | 180.0° |
| C26 | C27 | C28 | H43 | 179.7° | 179.9° |
| C27 | C26 | C25 | H46 | 179.9° | 179.9° |
| C22 | N3 | C24 | C23 | 179.7° | 179.7° |
| C22 | N3 | C24 | C25 | 179.9° | 179.8° |
| C22 | N3 | C23 | H47 | 180.0° | 89.7° |
| C22 | N3 | C23 | H48 | 60.0° | 30.3° |
| N3 | C22 | C21 | H51 | 180.0° | 179.7° |
| C22 | N3 | C23 | H49 | 60.0° | 150.2° |
| N3 | C24 | C25 | C26 | 179.7° | 180.0° |
| N3 | C24 | C25 | H46 | 0.2° | 0.0° |
| C24 | N3 | C23 | H47 | 0.2° | 90.0° |
| C24 | N3 | C23 | H48 | 120.2° | 150.0° |
| C24 | N3 | C22 | H50 | 179.8° | 179.8° |
| C24 | N3 | C23 | H49 | 119.8° | 30.0° |
| C24 | C25 | C26 | H46 | 180.0° | 179.9° |
| C25 | C24 | N3 | C23 | 0.2° | 0.0° |
| C24 | C25 | C26 | H45 | 179.8° | 180.0° |
| C25 | C26 | C27 | H44 | 179.9° | 179.9° |
| N3 | C23 | H47 | H48 | 120.0° | 120.0° |
| N3 | C23 | H47 | H49 | 120.0° | 120.0° |
| N3 | C23 | H48 | H49 | 120.0° | 120.0° |
| C23 | N3 | C22 | H50 | 0.1° | 0.1° |
| H1 | C | N5 | H11 | 57.1° | 61.8° |
| H1 | C | C36 | H24 | 6.3° | 0.2° |
| H1 | C | C1 | H25 | 100.0° | 30.2° |
| H1 | C | C1 | H26 | 21.3° | 93.2° |
| H2 | N | C8 | H14 | 94.1° | 120.0° |
| H2 | N | C8 | H15 | 146.8° | 120.0° |
| H3 | C2 | C3 | H4 | 172.8° | 176.9° |
| H3 | C2 | C3 | H5 | 67.9° | 63.1° |
| H3 | C2 | C36 | H24 | 36.9° | 30.0° |
| H4 | C3 | C4 | H6 | 178.9° | 180.0° |
| H4 | C3 | C4 | H7 | 59.1° | 60.1° |
| H5 | C3 | C4 | H6 | 61.7° | 60.1° |
| H5 | C3 | C4 | H7 | 178.4° | 180.0° |
| H6 | C4 | C5 | H9 | 178.4° | 180.0° |
| H6 | C4 | C5 | H10 | 58.7° | 60.1° |
| H7 | C4 | C5 | H9 | 61.8° | 60.1° |
| H7 | C4 | C5 | H10 | 178.6° | NaN° |
| H8 | N4 | C36 | H24 | 67.8° | 61.5° |
| H9 | C5 | C6 | H12 | 178.6° | 180.0° |
| H9 | C5 | C6 | H13 | 61.3° | 60.1° |
| H10 | C5 | C6 | H12 | 58.9° | 60.0° |
| H10 | C5 | C6 | H13 | 179.0° | 180.0° |
| H14 | C8 | C9 | H16 | 81.0° | 65.0° |
| H14 | C8 | C9 | H17 | 39.0° | 175.0° |
| H15 | C8 | C9 | H16 | 159.9° | 55.1° |
| H15 | C8 | C9 | H17 | 80.1° | 65.0° |
| H18 | C10 | C11 | H20 | 173.6° | 65.0° |
| H18 | C10 | C11 | H21 | 66.2° | 55.0° |
| H19 | C10 | C11 | H20 | 66.2° | 175.0° |
| H19 | C10 | C11 | H21 | 54.0° | 65.0° |
| H22 | C12 | C13 | H27 | 55.6° | 175.0° |
| H22 | C12 | C13 | H28 | 175.3° | 65.0° |
| H23 | C12 | C13 | H27 | 64.6° | 65.0° |
| H23 | C12 | C13 | H28 | 55.0° | 55.0° |
| H29 | C14 | C15 | H31 | 60.5° | 65.0° |
| H29 | C14 | C15 | H32 | 59.3° | 175.0° |
| H30 | C14 | C15 | H31 | 179.4° | 55.0° |
| H30 | C14 | C15 | H32 | 60.8° | 65.1° |
| H31 | C15 | N1 | H33 | 169.6° | 120.1° |
| H32 | C15 | N1 | H33 | 49.8° | 120.0° |
| H36 | C34 | C33 | H37 | 1.7° | 0.1° |
| H37 | C33 | C32 | H38 | 1.1° | 0.3° |
| H38 | C32 | C31 | H39 | 0.9° | 0.0° |
| H40 | C18 | C19 | H41 | 169.7° | 175.7° |
| H40 | C18 | C19 | H42 | 72.9° | 64.3° |
| H43 | C28 | C27 | H44 | 0.4° | 0.1° |
| H44 | C27 | C26 | H45 | 0.1° | 0.1° |
| H45 | C26 | C25 | H46 | 0.1° | 0.1° |
| H47 | C23 | H48 | H49 | 120.0° | 120.0° |
| H50 | C22 | C21 | H51 | 0.0° | 0.3° |
