RN6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C28 | doub | 1.21Å | 1.22Å | |
| C25 | C24 | sing | 1.51Å | 1.50Å | |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| O1 | C24 | doub | 1.21Å | 1.23Å | |
| C24 | N5 | sing | 1.34Å | 1.37Å | |
| C15 | C14 | sing | 1.51Å | 1.51Å | |
| C15 | O | sing | 1.43Å | 1.42Å | |
| N5 | C23 | sing | 1.34Å | 1.37Å | |
| C22 | C23 | sing | 1.51Å | 1.52Å | |
| C22 | C26 | sing | 1.53Å | 1.53Å | |
| C22 | N4 | sing | 1.47Å | 1.46Å | |
| C23 | O2 | doub | 1.21Å | 1.23Å | |
| C14 | O5 | doub | 1.21Å | 1.23Å | |
| C14 | N3 | sing | 1.35Å | 1.33Å | |
| C28 | N4 | sing | 1.35Å | 1.40Å | |
| C28 | C27 | sing | 1.47Å | 1.49Å | |
| N3 | C13 | sing | 1.47Å | 1.46Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| N4 | C21 | sing | 1.34Å | 1.40Å | |
| O | C16 | sing | 1.36Å | 1.37Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C27 | C16 | doub | 1.39Å | 1.41Å | Aromatic |
| C27 | C20 | sing | 1.41Å | 1.38Å | Aromatic |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| C16 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.48Å | 1.48Å | |
| C21 | O3 | doub | 1.21Å | 1.22Å | |
| C6 | N2 | sing | 1.46Å | 1.46Å | |
| C20 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| CL | C33 | sing | 1.74Å | 1.74Å | |
| C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C34 | C33 | doub | 1.38Å | 1.38Å | Aromatic |
| C34 | C35 | sing | 1.38Å | 1.38Å | Aromatic |
| C33 | C32 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C18 | sing | 1.39Å | 1.38Å | Aromatic |
| N2 | C5 | sing | 1.35Å | 1.33Å | |
| C35 | C30 | doub | 1.39Å | 1.39Å | Aromatic |
| O6 | C5 | doub | 1.21Å | 1.23Å | |
| C5 | C4 | sing | 1.51Å | 1.51Å | |
| C32 | C31 | doub | 1.38Å | 1.38Å | Aromatic |
| C30 | C31 | sing | 1.39Å | 1.39Å | Aromatic |
| C30 | C29 | sing | 1.48Å | 1.48Å | |
| C41 | C40 | sing | 1.51Å | 1.50Å | |
| N6 | C29 | doub | 1.29Å | 1.28Å | |
| N6 | C3 | sing | 1.47Å | 1.47Å | |
| C29 | C36 | sing | 1.48Å | 1.48Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | C2 | sing | 1.51Å | 1.51Å | |
| C40 | C36 | sing | 1.45Å | 1.45Å | Aromatic |
| C40 | C38 | doub | 1.32Å | 1.36Å | Aromatic |
| C36 | C37 | doub | 1.38Å | 1.38Å | Aromatic |
| C38 | C39 | sing | 1.51Å | 1.50Å | |
| C38 | S | sing | 1.75Å | 1.74Å | Aromatic |
| C2 | N1 | doub | 1.30Å | 1.31Å | Aromatic |
| C2 | N7 | sing | 1.36Å | 1.38Å | Aromatic |
| C37 | N7 | sing | 1.40Å | 1.40Å | |
| C37 | S | sing | 1.71Å | 1.72Å | Aromatic |
| N1 | N | sing | 1.29Å | 1.39Å | Aromatic |
| N7 | C1 | sing | 1.35Å | 1.38Å | Aromatic |
| C1 | N | doub | 1.31Å | 1.31Å | Aromatic |
| C1 | C | sing | 1.51Å | 1.48Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H15 | sing | 1.08Å | 1.08Å | |
| C19 | H16 | sing | 1.08Å | 1.08Å | |
| C22 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å | |
| C25 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.09Å | 1.10Å | |
| C26 | H21 | sing | 1.09Å | 1.10Å | |
| C3 | H22 | sing | 1.09Å | 1.10Å | |
| C31 | H23 | sing | 1.08Å | 1.08Å | |
| C32 | H24 | sing | 1.08Å | 1.08Å | |
| C34 | H25 | sing | 1.08Å | 1.08Å | |
| C35 | H26 | sing | 1.08Å | 1.08Å | |
| C39 | H27 | sing | 1.09Å | 1.10Å | |
| C39 | H28 | sing | 1.09Å | 1.10Å | |
| C39 | H29 | sing | 1.09Å | 1.10Å | |
| C4 | H30 | sing | 1.09Å | 1.10Å | |
| C4 | H31 | sing | 1.09Å | 1.10Å | |
| C41 | H32 | sing | 1.09Å | 1.10Å | |
| C41 | H33 | sing | 1.09Å | 1.10Å | |
| C41 | H34 | sing | 1.09Å | 1.10Å | |
| C6 | H35 | sing | 1.09Å | 1.10Å | |
| C6 | H36 | sing | 1.09Å | 1.10Å | |
| C7 | H37 | sing | 1.09Å | 1.10Å | |
| C7 | H38 | sing | 1.09Å | 1.10Å | |
| C8 | H39 | sing | 1.09Å | 1.10Å | |
| C8 | H40 | sing | 1.09Å | 1.10Å | |
| C9 | H41 | sing | 1.09Å | 1.10Å | |
| C9 | H42 | sing | 1.09Å | 1.10Å | |
| N2 | H43 | sing | 0.97Å | 1.00Å | |
| N3 | H44 | sing | 0.97Å | 1.00Å | |
| N5 | H45 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C28 | N4 | 125.0° | 125.6° |
| O4 | C28 | C27 | 129.2° | 125.7° |
| C24 | C25 | C26 | 112.9° | 109.1° |
| C25 | C24 | O1 | 122.7° | 119.3° |
| C25 | C24 | N5 | 116.9° | 121.3° |
| C24 | C25 | H18 | 108.6° | 109.5° |
| C24 | C25 | H19 | 108.6° | 109.6° |
| C25 | C26 | C22 | 109.2° | 108.6° |
| C26 | C25 | H18 | 108.6° | 109.5° |
| C26 | C25 | H19 | 108.6° | 109.5° |
| C25 | C26 | H20 | 109.5° | 109.6° |
| C25 | C26 | H21 | 109.6° | 109.6° |
| O1 | C24 | N5 | 120.4° | 119.4° |
| C24 | N5 | C23 | 126.6° | 122.6° |
| C24 | N5 | H45 | 116.7° | 118.7° |
| C14 | C15 | O | 112.4° | 109.5° |
| C15 | C14 | O5 | 119.4° | 120.0° |
| C15 | C14 | N3 | 117.1° | 120.0° |
| C14 | C15 | H12 | 108.7° | 109.5° |
| C14 | C15 | H13 | 108.7° | 109.5° |
| C15 | O | C16 | 117.9° | 117.0° |
| O | C15 | H12 | 108.7° | 109.4° |
| O | C15 | H13 | 108.7° | 109.5° |
| N5 | C23 | C22 | 117.6° | 121.2° |
| N5 | C23 | O2 | 121.0° | 119.4° |
| C23 | N5 | H45 | 116.7° | 118.7° |
| C23 | C22 | C26 | 111.8° | 109.2° |
| C23 | C22 | N4 | 112.3° | 109.5° |
| C22 | C23 | O2 | 121.4° | 119.4° |
| C23 | C22 | H17 | 107.9° | 109.5° |
| C26 | C22 | N4 | 108.3° | 109.5° |
| C26 | C22 | H17 | 107.8° | 109.5° |
| C22 | C26 | H20 | 109.5° | 109.7° |
| C22 | C26 | H21 | 109.5° | 109.6° |
| C22 | N4 | C28 | 124.0° | 124.5° |
| C22 | N4 | C21 | 124.3° | 124.5° |
| N4 | C22 | H17 | 108.6° | 109.5° |
| O5 | C14 | N3 | 123.5° | 120.0° |
| C14 | N3 | C13 | 123.4° | 120.0° |
| C14 | N3 | H44 | 118.3° | 120.0° |
| N4 | C28 | C27 | 105.8° | 108.6° |
| C28 | N4 | C21 | 111.6° | 111.1° |
| C28 | C27 | C16 | 134.1° | 134.3° |
| C28 | C27 | C20 | 108.2° | 105.9° |
| N3 | C13 | C12 | 113.5° | 109.5° |
| N3 | C13 | H10 | 108.4° | 109.5° |
| N3 | C13 | H11 | 108.4° | 109.5° |
| C13 | N3 | H44 | 118.3° | 120.0° |
| C13 | C12 | C11 | 113.5° | 109.5° |
| C13 | C12 | H8 | 108.5° | 109.5° |
| C13 | C12 | H9 | 108.4° | 109.5° |
| C12 | C13 | H10 | 108.4° | 109.5° |
| C12 | C13 | H11 | 108.5° | 109.5° |
| N4 | C21 | C20 | 105.9° | 108.5° |
| N4 | C21 | O3 | 125.1° | 125.7° |
| O | C16 | C27 | 116.1° | 120.3° |
| O | C16 | C17 | 122.9° | 120.2° |
| C10 | C9 | C8 | 115.0° | 109.5° |
| C9 | C10 | C11 | 113.7° | 109.5° |
| C9 | C10 | H4 | 108.4° | 109.4° |
| C9 | C10 | H5 | 108.4° | 109.5° |
| C10 | C9 | H41 | 108.1° | 109.5° |
| C10 | C9 | H42 | 108.1° | 109.5° |
| C9 | C8 | C7 | 113.8° | 109.5° |
| C9 | C8 | H39 | 108.4° | 109.5° |
| C9 | C8 | H40 | 108.4° | 109.5° |
| C8 | C9 | H41 | 108.1° | 109.5° |
| C8 | C9 | H42 | 108.0° | 109.5° |
| C10 | C11 | C12 | 115.9° | 109.5° |
| C11 | C10 | H4 | 108.4° | 109.5° |
| C11 | C10 | H5 | 108.4° | 109.4° |
| C10 | C11 | H6 | 107.8° | 109.5° |
| C10 | C11 | H7 | 107.8° | 109.5° |
| C12 | C11 | H6 | 107.8° | 109.5° |
| C12 | C11 | H7 | 107.8° | 109.5° |
| C11 | C12 | H8 | 108.5° | 109.5° |
| C11 | C12 | H9 | 108.5° | 109.5° |
| C16 | C27 | C20 | 117.7° | 119.8° |
| C27 | C16 | C17 | 121.0° | 119.6° |
| C27 | C20 | C21 | 108.4° | 105.9° |
| C27 | C20 | C19 | 121.9° | 119.9° |
| C8 | C7 | C6 | 114.4° | 109.5° |
| C8 | C7 | H37 | 108.2° | 109.5° |
| C8 | C7 | H38 | 108.2° | 109.5° |
| C7 | C8 | H39 | 108.4° | 109.5° |
| C7 | C8 | H40 | 108.4° | 109.5° |
| C7 | C6 | N2 | 112.5° | 109.5° |
| C7 | C6 | H35 | 108.7° | 109.4° |
| C7 | C6 | H36 | 108.7° | 109.5° |
| C6 | C7 | H37 | 108.3° | 109.5° |
| C6 | C7 | H38 | 108.3° | 109.5° |
| C16 | C17 | C18 | 119.8° | 120.3° |
| C16 | C17 | H14 | 120.1° | 119.8° |
| C20 | C21 | O3 | 129.0° | 125.8° |
| C21 | C20 | C19 | 129.7° | 134.3° |
| C6 | N2 | C5 | 122.7° | 120.0° |
| N2 | C6 | H35 | 108.7° | 109.5° |
| N2 | C6 | H36 | 108.7° | 109.5° |
| C6 | N2 | H43 | 118.6° | 120.0° |
| C20 | C19 | C18 | 119.2° | 119.9° |
| C20 | C19 | H16 | 120.4° | 120.1° |
| CL | C33 | C34 | 119.3° | 119.9° |
| CL | C33 | C32 | 119.4° | 119.9° |
| C17 | C18 | C19 | 120.5° | 120.6° |
| C18 | C17 | H14 | 120.1° | 119.8° |
| C17 | C18 | H15 | 119.8° | 119.6° |
| C33 | C34 | C35 | 119.2° | 120.1° |
| C34 | C33 | C32 | 121.3° | 120.2° |
| C33 | C34 | H25 | 120.4° | 120.0° |
| C34 | C35 | C30 | 120.8° | 119.9° |
| C35 | C34 | H25 | 120.4° | 119.9° |
| C34 | C35 | H26 | 119.6° | 120.1° |
| C33 | C32 | C31 | 119.2° | 120.1° |
| C33 | C32 | H24 | 120.4° | 119.9° |
| C19 | C18 | H15 | 119.8° | 119.8° |
| C18 | C19 | H16 | 120.4° | 120.0° |
| N2 | C5 | O6 | 122.8° | 120.0° |
| N2 | C5 | C4 | 115.8° | 120.0° |
| C5 | N2 | H43 | 118.7° | 120.0° |
| C35 | C30 | C31 | 118.7° | 119.8° |
| C35 | C30 | C29 | 120.0° | 120.1° |
| C30 | C35 | H26 | 119.6° | 120.1° |
| O6 | C5 | C4 | 121.4° | 120.0° |
| C5 | C4 | C3 | 110.7° | 109.5° |
| C5 | C4 | H30 | 109.2° | 109.5° |
| C5 | C4 | H31 | 109.1° | 109.5° |
| C32 | C31 | C30 | 120.8° | 119.9° |
| C32 | C31 | H23 | 119.6° | 120.0° |
| C31 | C32 | H24 | 120.4° | 120.0° |
| C31 | C30 | C29 | 121.3° | 120.1° |
| C30 | C31 | H23 | 119.6° | 120.1° |
| C30 | C29 | N6 | 116.3° | 117.0° |
| C30 | C29 | C36 | 117.7° | 117.0° |
| C41 | C40 | C36 | 125.0° | 123.0° |
| C41 | C40 | C38 | 122.6° | 123.1° |
| C40 | C41 | H32 | 109.5° | 109.5° |
| C40 | C41 | H33 | 109.5° | 109.4° |
| C40 | C41 | H34 | 109.5° | 109.5° |
| C29 | N6 | C3 | 117.6° | 122.4° |
| N6 | C29 | C36 | 126.0° | 126.0° |
| N6 | C3 | C4 | 113.3° | 109.6° |
| N6 | C3 | C2 | 106.2° | 109.1° |
| N6 | C3 | H22 | 107.7° | 109.5° |
| C29 | C36 | C40 | 127.2° | 123.5° |
| C29 | C36 | C37 | 121.1° | 124.7° |
| C4 | C3 | C2 | 115.1° | 109.5° |
| C4 | C3 | H22 | 107.0° | 109.5° |
| C3 | C4 | H30 | 109.1° | 109.5° |
| C3 | C4 | H31 | 109.1° | 109.5° |
| C3 | C2 | N1 | 128.5° | 127.9° |
| C3 | C2 | N7 | 122.0° | 125.1° |
| C2 | C3 | H22 | 107.2° | 109.5° |
| C36 | C40 | C38 | 112.4° | 113.9° |
| C40 | C36 | C37 | 111.6° | 111.7° |
| C40 | C38 | C39 | 129.1° | 124.7° |
| C40 | C38 | S | 112.3° | 110.6° |
| C36 | C37 | N7 | 123.1° | 124.1° |
| C36 | C37 | S | 112.6° | 111.0° |
| C39 | C38 | S | 118.6° | 124.7° |
| C38 | C39 | H27 | 109.5° | 109.4° |
| C38 | C39 | H28 | 109.5° | 109.5° |
| C38 | C39 | H29 | 109.4° | 109.4° |
| C38 | S | C37 | 91.1° | 92.6° |
| N1 | C2 | N7 | 109.4° | 107.1° |
| C2 | N1 | N | 107.7° | 109.7° |
| C2 | N7 | C37 | 121.7° | 124.5° |
| C2 | N7 | C1 | 105.5° | 106.5° |
| N7 | C37 | S | 124.1° | 124.9° |
| C37 | N7 | C1 | 132.8° | 129.0° |
| N1 | N | C1 | 108.0° | 110.0° |
| N7 | C1 | N | 109.4° | 106.7° |
| N7 | C1 | C | 124.8° | 126.6° |
| N | C1 | C | 125.8° | 126.7° |
| C1 | C | H1 | 109.5° | 109.5° |
| C1 | C | H2 | 109.5° | 109.4° |
| C1 | C | H3 | 109.5° | 109.4° |
| H1 | C | H2 | 109.5° | 109.5° |
| H1 | C | H3 | 109.5° | 109.5° |
| H2 | C | H3 | 109.5° | 109.5° |
| H4 | C10 | H5 | 109.5° | 109.5° |
| H6 | C11 | H7 | 109.5° | 109.5° |
| H8 | C12 | H9 | 109.5° | 109.5° |
| H10 | C13 | H11 | 109.5° | 109.5° |
| H12 | C15 | H13 | 109.5° | 109.4° |
| H18 | C25 | H19 | 109.5° | 109.6° |
| H20 | C26 | H21 | 109.5° | 109.8° |
| H27 | C39 | H28 | 109.5° | 109.5° |
| H27 | C39 | H29 | 109.5° | 109.5° |
| H28 | C39 | H29 | 109.5° | 109.5° |
| H30 | C4 | H31 | 109.5° | 109.4° |
| H32 | C41 | H33 | 109.5° | 109.4° |
| H32 | C41 | H34 | 109.5° | 109.5° |
| H33 | C41 | H34 | 109.5° | 109.5° |
| H35 | C6 | H36 | 109.5° | 109.5° |
| H37 | C7 | H38 | 109.4° | 109.5° |
| H39 | C8 | H40 | 109.5° | 109.5° |
| H41 | C9 | H42 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C28 | N4 | C22 | 3.3° | 0.7° |
| O4 | C28 | N4 | C27 | 179.6° | 179.3° |
| O4 | C28 | N4 | C21 | 179.0° | 180.0° |
| O4 | C28 | C27 | C16 | 2.2° | 0.1° |
| O4 | C28 | C27 | C20 | 178.9° | 179.9° |
| C24 | C25 | C26 | H18 | 120.5° | 119.9° |
| C24 | C25 | C26 | H19 | 120.5° | 120.0° |
| C25 | C24 | O1 | N5 | 179.7° | 180.0° |
| C25 | C24 | N5 | C23 | 0.2° | 0.6° |
| C24 | C25 | C26 | C22 | 54.2° | 55.6° |
| C24 | C25 | H18 | H19 | 118.4° | 120.2° |
| C24 | C25 | C26 | H20 | 65.8° | 175.4° |
| C24 | C25 | C26 | H21 | 174.2° | 64.1° |
| C25 | C24 | N5 | H45 | 179.7° | 179.4° |
| C26 | C25 | C24 | O1 | 151.1° | 150.9° |
| C26 | C25 | C24 | N5 | 28.7° | 29.1° |
| C25 | C26 | C22 | C23 | 52.6° | 55.6° |
| C25 | C26 | C22 | H20 | 120.0° | 119.7° |
| C25 | C26 | C22 | H21 | 120.0° | 119.7° |
| C25 | C26 | C22 | N4 | 176.8° | 175.5° |
| C25 | C26 | C22 | H17 | 65.8° | 64.3° |
| C26 | C25 | H18 | H19 | 118.5° | 120.1° |
| C25 | C26 | H20 | H21 | 120.1° | 120.5° |
| O1 | C24 | N5 | C23 | 179.5° | 179.5° |
| O1 | C24 | C25 | H18 | 30.6° | 31.1° |
| O1 | C24 | C25 | H19 | 88.4° | 89.2° |
| O1 | C24 | N5 | H45 | 0.5° | 0.6° |
| C24 | N5 | C23 | H45 | 180.0° | 180.0° |
| C24 | N5 | C23 | C22 | 0.7° | 0.5° |
| C24 | N5 | C23 | O2 | 178.5° | 179.4° |
| N5 | C24 | C25 | H18 | 149.2° | 149.0° |
| N5 | C24 | C25 | H19 | 91.9° | 90.8° |
| C14 | C15 | O | H12 | 120.4° | 120.0° |
| C14 | C15 | O | H13 | 120.4° | 120.1° |
| C15 | C14 | O5 | N3 | 178.3° | 180.0° |
| C15 | C14 | N3 | C13 | 164.5° | 180.0° |
| C14 | C15 | O | C16 | 90.1° | 180.0° |
| C14 | C15 | H12 | H13 | 118.7° | 120.0° |
| C15 | C14 | N3 | H44 | 15.5° | 0.1° |
| O | C15 | C14 | O5 | 126.3° | 0.0° |
| O | C15 | C14 | N3 | 55.3° | 179.9° |
| C15 | O | C16 | C27 | 89.7° | 179.8° |
| C15 | O | C16 | C17 | 92.5° | 0.1° |
| O | C15 | H12 | H13 | 118.7° | 120.0° |
| N5 | C23 | C22 | O2 | 179.2° | 179.9° |
| N5 | C23 | C22 | C26 | 26.6° | 29.0° |
| N5 | C23 | C22 | N4 | 148.6° | 149.0° |
| N5 | C23 | C22 | H17 | 91.8° | 90.9° |
| C23 | C22 | C26 | N4 | 124.2° | 119.9° |
| C23 | C22 | C26 | H17 | 118.4° | 119.9° |
| C23 | C22 | N4 | H17 | 119.2° | 120.1° |
| C23 | C22 | N4 | C28 | 138.1° | 120.0° |
| C23 | C22 | N4 | C21 | 44.4° | 59.2° |
| C23 | C22 | C26 | H20 | 67.4° | 175.3° |
| C23 | C22 | C26 | H21 | 172.6° | 64.1° |
| C22 | C23 | N5 | H45 | 179.4° | 179.5° |
| C26 | C22 | N4 | H17 | 116.9° | 120.2° |
| C26 | C22 | C23 | O2 | 154.2° | 150.9° |
| C26 | C22 | N4 | C28 | 98.0° | 120.3° |
| C26 | C22 | N4 | C21 | 79.5° | 60.5° |
| C22 | C26 | C25 | H18 | 174.7° | 175.5° |
| C22 | C26 | C25 | H19 | 66.3° | 64.3° |
| C22 | C26 | H20 | H21 | 120.1° | 120.4° |
| N4 | C22 | C23 | O2 | 32.2° | 30.9° |
| C22 | N4 | C28 | C21 | 177.7° | 179.3° |
| C22 | N4 | C28 | C27 | 177.1° | 180.0° |
| C22 | N4 | C21 | C20 | 177.5° | 179.9° |
| C22 | N4 | C21 | O3 | 1.7° | 0.1° |
| N4 | C22 | C26 | H20 | 56.8° | 64.7° |
| N4 | C22 | C26 | H21 | 63.2° | 55.8° |
| O2 | C23 | C22 | H17 | 87.4° | 89.2° |
| O2 | C23 | N5 | H45 | 1.4° | 0.6° |
| O5 | C14 | N3 | C13 | 13.8° | 0.0° |
| O5 | C14 | C15 | H12 | 5.9° | 120.0° |
| O5 | C14 | C15 | H13 | 113.3° | 120.0° |
| O5 | C14 | N3 | H44 | 166.2° | 179.9° |
| C14 | N3 | C13 | H44 | 180.0° | 179.9° |
| C14 | N3 | C13 | C12 | 62.3° | 180.0° |
| C14 | N3 | C13 | H10 | 177.1° | 60.0° |
| C14 | N3 | C13 | H11 | 58.3° | 60.0° |
| N3 | C14 | C15 | H12 | 175.8° | 60.0° |
| N3 | C14 | C15 | H13 | 65.1° | 60.0° |
| N4 | C28 | C27 | C16 | 178.2° | 179.2° |
| N4 | C28 | C27 | C20 | 0.7° | 0.5° |
| C28 | N4 | C21 | C20 | 0.3° | 0.6° |
| C28 | N4 | C21 | O3 | 179.4° | 179.4° |
| C28 | N4 | C22 | H17 | 18.9° | 0.1° |
| C27 | C28 | N4 | C21 | 0.6° | 0.7° |
| C28 | C27 | C16 | O | 2.1° | 0.0° |
| C28 | C27 | C16 | C20 | 178.9° | 179.8° |
| C28 | C27 | C16 | C17 | 179.9° | 179.7° |
| C28 | C27 | C20 | C21 | 0.6° | 0.2° |
| C28 | C27 | C20 | C19 | 179.9° | 179.6° |
| N3 | C13 | C12 | H10 | 120.6° | 120.0° |
| N3 | C13 | C12 | H11 | 120.6° | 120.0° |
| N3 | C13 | C12 | C11 | 150.5° | 180.0° |
| N3 | C13 | C12 | H8 | 29.9° | 60.0° |
| N3 | C13 | C12 | H9 | 88.9° | 60.0° |
| N3 | C13 | H10 | H11 | 118.1° | 120.0° |
| C13 | C12 | C11 | C10 | 79.2° | 180.0° |
| C13 | C12 | C11 | H8 | 120.6° | 120.0° |
| C13 | C12 | C11 | H9 | 120.6° | 120.0° |
| C13 | C12 | C11 | H6 | 159.9° | 60.0° |
| C13 | C12 | C11 | H7 | 41.8° | 60.0° |
| C13 | C12 | H8 | H9 | 118.1° | 120.0° |
| C12 | C13 | H10 | H11 | 118.2° | 120.0° |
| C12 | C13 | N3 | H44 | 117.7° | 0.0° |
| N4 | C21 | C20 | C27 | 0.2° | 0.2° |
| N4 | C21 | C20 | O3 | 179.1° | 180.0° |
| N4 | C21 | C20 | C19 | 179.5° | 180.0° |
| C21 | N4 | C22 | H17 | 163.6° | 179.3° |
| O | C16 | C27 | C17 | 177.8° | 179.7° |
| O | C16 | C27 | C20 | 176.7° | 179.7° |
| O | C16 | C17 | C18 | 177.0° | 179.9° |
| C16 | O | C15 | H12 | 30.3° | 60.0° |
| C16 | O | C15 | H13 | 149.4° | 59.9° |
| O | C16 | C17 | H14 | 3.0° | 0.0° |
| C10 | C9 | C8 | H41 | 120.8° | 120.0° |
| C10 | C9 | C8 | H42 | 120.8° | 120.0° |
| C9 | C10 | C11 | H4 | 120.6° | 120.0° |
| C9 | C10 | C11 | H5 | 120.6° | 120.0° |
| C9 | C10 | C11 | C12 | 179.9° | 180.0° |
| C10 | C9 | C8 | C7 | 175.6° | 180.0° |
| C9 | C10 | H4 | H5 | 118.1° | 120.0° |
| C9 | C10 | C11 | H6 | 58.9° | 60.0° |
| C9 | C10 | C11 | H7 | 59.2° | 60.0° |
| C10 | C9 | C8 | H39 | 55.0° | 60.0° |
| C10 | C9 | C8 | H40 | 63.7° | 60.0° |
| C10 | C9 | H41 | H42 | 117.5° | 120.0° |
| C8 | C9 | C10 | C11 | 153.3° | 180.0° |
| C9 | C8 | C7 | H39 | 120.6° | 120.0° |
| C9 | C8 | C7 | H40 | 120.7° | 120.0° |
| C9 | C8 | C7 | C6 | 176.6° | 180.0° |
| C8 | C9 | C10 | H4 | 86.1° | 60.0° |
| C8 | C9 | C10 | H5 | 32.7° | 60.0° |
| C9 | C8 | C7 | H37 | 62.7° | 60.0° |
| C9 | C8 | C7 | H38 | 55.8° | 60.0° |
| C9 | C8 | H39 | H40 | 118.0° | 120.0° |
| C8 | C9 | H41 | H42 | 117.5° | 120.0° |
| C10 | C11 | C12 | H6 | 120.9° | 120.0° |
| C10 | C11 | C12 | H7 | 121.0° | 120.1° |
| C11 | C10 | H4 | H5 | 118.1° | 120.0° |
| C10 | C11 | H6 | H7 | 117.1° | 120.0° |
| C10 | C11 | C12 | H8 | 160.2° | 60.0° |
| C10 | C11 | C12 | H9 | 41.4° | 60.0° |
| C11 | C10 | C9 | H41 | 85.9° | 60.0° |
| C11 | C10 | C9 | H42 | 32.5° | 59.9° |
| C12 | C11 | C10 | H4 | 59.5° | 60.0° |
| C12 | C11 | C10 | H5 | 59.3° | 60.0° |
| C12 | C11 | H6 | H7 | 117.1° | 120.0° |
| C11 | C12 | H8 | H9 | 118.2° | 120.0° |
| C11 | C12 | C13 | H10 | 89.0° | 60.0° |
| C11 | C12 | C13 | H11 | 29.9° | 60.0° |
| C16 | C27 | C20 | C21 | 178.6° | 179.6° |
| C16 | C27 | C20 | C19 | 0.8° | 0.6° |
| C27 | C16 | C17 | C18 | 0.7° | 0.2° |
| C27 | C16 | C17 | H14 | 179.3° | 179.7° |
| C20 | C27 | C16 | C17 | 1.1° | 0.5° |
| C27 | C20 | C21 | C19 | 179.3° | 179.8° |
| C27 | C20 | C21 | O3 | 178.9° | 179.8° |
| C27 | C20 | C19 | C18 | 0.1° | 0.3° |
| C27 | C20 | C19 | H16 | 179.9° | 179.8° |
| C8 | C7 | C6 | H37 | 120.7° | 120.0° |
| C8 | C7 | C6 | H38 | 120.7° | 120.0° |
| C8 | C7 | C6 | N2 | 75.0° | 180.0° |
| C8 | C7 | C6 | H35 | 45.4° | 60.0° |
| C8 | C7 | C6 | H36 | 164.5° | 60.0° |
| C8 | C7 | H37 | H38 | 117.7° | 120.0° |
| C7 | C8 | H39 | H40 | 118.0° | 120.0° |
| C7 | C8 | C9 | H41 | 63.5° | 60.0° |
| C7 | C8 | C9 | H42 | 54.9° | 60.0° |
| C7 | C6 | N2 | H35 | 120.5° | 120.0° |
| C7 | C6 | N2 | H36 | 120.5° | 120.0° |
| C7 | C6 | N2 | C5 | 135.2° | 180.0° |
| C7 | C6 | H35 | H36 | 118.6° | 119.9° |
| C6 | C7 | H37 | H38 | 117.8° | 120.0° |
| C6 | C7 | C8 | H39 | 56.0° | 60.0° |
| C6 | C7 | C8 | H40 | 62.8° | 60.0° |
| C7 | C6 | N2 | H43 | 44.7° | 0.0° |
| C16 | C17 | C18 | H14 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.0° | 0.1° |
| C16 | C17 | C18 | H15 | 180.0° | 180.0° |
| C21 | C20 | C19 | C18 | 179.1° | 180.0° |
| C21 | C20 | C19 | H16 | 0.9° | 0.0° |
| O3 | C21 | C20 | C19 | 0.4° | 0.0° |
| C6 | N2 | C5 | H43 | 180.0° | 179.9° |
| C6 | N2 | C5 | O6 | 2.9° | 0.0° |
| C6 | N2 | C5 | C4 | 177.4° | 180.0° |
| N2 | C6 | H35 | H36 | 118.6° | 120.0° |
| N2 | C6 | C7 | H37 | 164.3° | 60.0° |
| N2 | C6 | C7 | H38 | 45.7° | 60.0° |
| C20 | C19 | C18 | C17 | 0.3° | 0.1° |
| C20 | C19 | C18 | H16 | 180.0° | 180.0° |
| C20 | C19 | C18 | H15 | 179.7° | 179.9° |
| CL | C33 | C34 | C32 | 179.9° | 180.0° |
| CL | C33 | C34 | C35 | 179.7° | 179.8° |
| CL | C33 | C32 | C31 | 179.8° | 180.0° |
| CL | C33 | C32 | H24 | 0.2° | 0.0° |
| CL | C33 | C34 | H25 | 0.3° | 0.1° |
| C17 | C18 | C19 | H15 | 180.0° | 179.9° |
| C17 | C18 | C19 | H16 | 179.7° | 179.9° |
| C33 | C34 | C35 | H25 | 180.0° | 179.8° |
| C33 | C34 | C35 | C30 | 0.2° | 0.5° |
| C34 | C33 | C32 | C31 | 0.1° | 0.1° |
| C34 | C33 | C32 | H24 | 179.9° | 179.9° |
| C33 | C34 | C35 | H26 | 179.9° | 180.0° |
| C35 | C34 | C33 | C32 | 0.2° | 0.2° |
| C34 | C35 | C30 | H26 | 180.0° | 179.5° |
| C34 | C35 | C30 | C31 | 0.0° | 0.6° |
| C34 | C35 | C30 | C29 | 178.5° | 179.7° |
| C33 | C32 | C31 | H24 | 180.0° | 180.0° |
| C33 | C32 | C31 | C30 | 0.1° | 0.0° |
| C33 | C32 | C31 | H23 | 179.9° | 179.9° |
| C32 | C33 | C34 | H25 | 179.8° | 180.0° |
| C19 | C18 | C17 | H14 | 180.0° | 180.0° |
| N2 | C5 | O6 | C4 | 179.7° | 180.0° |
| N2 | C5 | C4 | C3 | 83.0° | 180.0° |
| N2 | C5 | C4 | H30 | 156.8° | 60.0° |
| N2 | C5 | C4 | H31 | 37.2° | 60.0° |
| C5 | N2 | C6 | H35 | 14.8° | 60.0° |
| C5 | N2 | C6 | H36 | 104.3° | 60.0° |
| C35 | C30 | C31 | C32 | 0.1° | 0.3° |
| C35 | C30 | C31 | C29 | 178.5° | 179.7° |
| C35 | C30 | C29 | N6 | 26.1° | 147.3° |
| C35 | C30 | C29 | C36 | 153.7° | 32.7° |
| C35 | C30 | C31 | H23 | 179.9° | 179.7° |
| C30 | C35 | C34 | H25 | 179.8° | 179.6° |
| O6 | C5 | C4 | C3 | 96.8° | 0.0° |
| O6 | C5 | C4 | H30 | 23.4° | 120.0° |
| O6 | C5 | C4 | H31 | 143.1° | 120.0° |
| O6 | C5 | N2 | H43 | 177.1° | 179.9° |
| C5 | C4 | C3 | N6 | 60.2° | 65.3° |
| C5 | C4 | C3 | H30 | 120.2° | 120.1° |
| C5 | C4 | C3 | H31 | 120.2° | 120.0° |
| C5 | C4 | C3 | C2 | 177.4° | 175.0° |
| C5 | C4 | C3 | H22 | 58.4° | 54.9° |
| C5 | C4 | H30 | H31 | 119.4° | 120.0° |
| C4 | C5 | N2 | H43 | 2.7° | 0.1° |
| C32 | C31 | C30 | H23 | 180.0° | 180.0° |
| C32 | C31 | C30 | C29 | 178.6° | 180.0° |
| C31 | C30 | C29 | N6 | 152.3° | 32.3° |
| C31 | C30 | C29 | C36 | 27.8° | 147.7° |
| C30 | C31 | C32 | H24 | 179.9° | 180.0° |
| C31 | C30 | C35 | H26 | 180.0° | 180.0° |
| C30 | C29 | N6 | C36 | 179.8° | 180.0° |
| C30 | C29 | N6 | C3 | 178.8° | 175.3° |
| C30 | C29 | C36 | C40 | 50.2° | 37.2° |
| C30 | C29 | C36 | C37 | 130.5° | 142.3° |
| C29 | C30 | C31 | H23 | 1.4° | 0.0° |
| C29 | C30 | C35 | H26 | 1.5° | 0.3° |
| C41 | C40 | C36 | C29 | 3.4° | 2.4° |
| C41 | C40 | C36 | C38 | 177.4° | 179.9° |
| C41 | C40 | C36 | C37 | 175.9° | 178.0° |
| C41 | C40 | C38 | C39 | 3.0° | 0.3° |
| C41 | C40 | C38 | S | 176.6° | 179.7° |
| C40 | C41 | H32 | H33 | 120.0° | 119.9° |
| C40 | C41 | H32 | H34 | 120.0° | 120.1° |
| C40 | C41 | H33 | H34 | 120.0° | 120.0° |
| C29 | N6 | C3 | C4 | 164.3° | 57.6° |
| C29 | N6 | C3 | C2 | 68.4° | 62.4° |
| N6 | C29 | C36 | C40 | 129.6° | 142.8° |
| N6 | C29 | C36 | C37 | 49.7° | 37.7° |
| C29 | N6 | C3 | H22 | 46.2° | 177.7° |
| C3 | N6 | C29 | C36 | 1.3° | 4.7° |
| N6 | C3 | C4 | C2 | 122.5° | 119.7° |
| N6 | C3 | C4 | H22 | 118.5° | 120.2° |
| N6 | C3 | C2 | H22 | 114.9° | 119.9° |
| N6 | C3 | C2 | N1 | 110.7° | 120.0° |
| N6 | C3 | C2 | N7 | 66.3° | 59.6° |
| N6 | C3 | C4 | H30 | 179.6° | 54.7° |
| N6 | C3 | C4 | H31 | 60.0° | 174.7° |
| C29 | C36 | C40 | C37 | 179.3° | 179.6° |
| C29 | C36 | C40 | C38 | 179.1° | 177.5° |
| C29 | C36 | C37 | N7 | 5.7° | 3.7° |
| C29 | C36 | C37 | S | 179.1° | 176.8° |
| C4 | C3 | C2 | H22 | 118.9° | 120.2° |
| C4 | C3 | C2 | N1 | 15.5° | 120.1° |
| C4 | C3 | C2 | N7 | 167.5° | 60.4° |
| C3 | C4 | H30 | H31 | 119.4° | 120.0° |
| C3 | C2 | N1 | N7 | 177.3° | 179.6° |
| C3 | C2 | N7 | C37 | 5.3° | 1.2° |
| C3 | C2 | N1 | N | 176.7° | 179.2° |
| C3 | C2 | N7 | C1 | 176.8° | 179.1° |
| C2 | C3 | C4 | H30 | 57.2° | 64.9° |
| C2 | C3 | C4 | H31 | 62.5° | 55.0° |
| C36 | C40 | C38 | C39 | 179.5° | 179.6° |
| C36 | C40 | C38 | S | 0.8° | 0.4° |
| C40 | C36 | C37 | N7 | 173.7° | 176.7° |
| C40 | C36 | C37 | S | 1.5° | 2.8° |
| C36 | C40 | C41 | H32 | 88.5° | 94.9° |
| C36 | C40 | C41 | H33 | 151.5° | 145.1° |
| C36 | C40 | C41 | H34 | 31.5° | 25.2° |
| C38 | C40 | C36 | C37 | 1.5° | 2.1° |
| C40 | C38 | C39 | S | 179.7° | 179.9° |
| C40 | C38 | S | C37 | 0.0° | 1.0° |
| C40 | C38 | C39 | H27 | 179.6° | 180.0° |
| C40 | C38 | C39 | H28 | 60.4° | 60.0° |
| C40 | C38 | C39 | H29 | 59.6° | 60.0° |
| C38 | C40 | C41 | H32 | 88.7° | 85.0° |
| C38 | C40 | C41 | H33 | 31.4° | 35.0° |
| C38 | C40 | C41 | H34 | 151.3° | 154.9° |
| C36 | C37 | S | C38 | 0.9° | 2.2° |
| C36 | C37 | N7 | C2 | 40.5° | 33.8° |
| C36 | C37 | N7 | S | 174.7° | 179.4° |
| C36 | C37 | N7 | C1 | 142.2° | 146.6° |
| C39 | C38 | S | C37 | 179.7° | 178.9° |
| C38 | C39 | H27 | H28 | 120.0° | 120.0° |
| C38 | C39 | H27 | H29 | 120.0° | 120.0° |
| C38 | C39 | H28 | H29 | 120.0° | 120.0° |
| C38 | S | C37 | N7 | 174.3° | 177.2° |
| S | C38 | C39 | H27 | 0.0° | 0.1° |
| S | C38 | C39 | H28 | 120.0° | 120.0° |
| S | C38 | C39 | H29 | 120.0° | 120.0° |
| N1 | C2 | N7 | C37 | 177.2° | 179.2° |
| N1 | C2 | N7 | C1 | 0.7° | 0.5° |
| C2 | N1 | N | C1 | 0.2° | 0.1° |
| N1 | C2 | C3 | H22 | 134.4° | 0.0° |
| C2 | N7 | C37 | C1 | 177.3° | 179.6° |
| C2 | N7 | C37 | S | 134.1° | 145.5° |
| N7 | C2 | N1 | N | 0.6° | 0.4° |
| C2 | N7 | C1 | N | 0.6° | 0.4° |
| C2 | N7 | C1 | C | 178.6° | 179.6° |
| N7 | C2 | C3 | H22 | 48.6° | 179.5° |
| C37 | N7 | C1 | N | 177.0° | 179.2° |
| C37 | N7 | C1 | C | 3.8° | 0.8° |
| S | C37 | N7 | C1 | 43.2° | 34.0° |
| N1 | N | C1 | N7 | 0.3° | 0.2° |
| N1 | N | C1 | C | 178.9° | 179.8° |
| N7 | C1 | N | C | 179.2° | 180.0° |
| N7 | C1 | C | H1 | 179.1° | 90.0° |
| N7 | C1 | C | H2 | 59.0° | 30.0° |
| N7 | C1 | C | H3 | 60.9° | 150.0° |
| N | C1 | C | H1 | 0.0° | 90.0° |
| N | C1 | C | H2 | 120.0° | 150.0° |
| N | C1 | C | H3 | 120.0° | 30.0° |
| C1 | C | H1 | H2 | 120.0° | 119.9° |
| C1 | C | H1 | H3 | 120.0° | 120.0° |
| C1 | C | H2 | H3 | 120.0° | 120.0° |
| H1 | C | H2 | H3 | 120.0° | 120.1° |
| H4 | C10 | C11 | H6 | 179.6° | 60.0° |
| H4 | C10 | C11 | H7 | 61.5° | 180.0° |
| H4 | C10 | C9 | H41 | 34.7° | 180.0° |
| H4 | C10 | C9 | H42 | 153.1° | 60.0° |
| H5 | C10 | C11 | H6 | 61.7° | 180.0° |
| H5 | C10 | C11 | H7 | 179.8° | 60.0° |
| H5 | C10 | C9 | H41 | 153.5° | 60.0° |
| H5 | C10 | C9 | H42 | 88.1° | 179.9° |
| H6 | C11 | C12 | H8 | 39.3° | 180.0° |
| H6 | C11 | C12 | H9 | 79.5° | 60.0° |
| H7 | C11 | C12 | H8 | 78.8° | 60.0° |
| H7 | C11 | C12 | H9 | 162.3° | 180.0° |
| H8 | C12 | C13 | H10 | 150.4° | 180.0° |
| H8 | C12 | C13 | H11 | 90.7° | 60.0° |
| H9 | C12 | C13 | H10 | 31.6° | 60.0° |
| H9 | C12 | C13 | H11 | 150.5° | 180.0° |
| H10 | C13 | N3 | H44 | 2.9° | 120.0° |
| H11 | C13 | N3 | H44 | 121.7° | 120.0° |
| H14 | C17 | C18 | H15 | 0.0° | 0.1° |
| H15 | C18 | C19 | H16 | 0.3° | 0.0° |
| H17 | C22 | C26 | H20 | 174.2° | 55.4° |
| H17 | C22 | C26 | H21 | 54.2° | 176.0° |
| H18 | C25 | C26 | H20 | 54.7° | 64.8° |
| H18 | C25 | C26 | H21 | 65.3° | 55.8° |
| H19 | C25 | C26 | H20 | 173.7° | 55.4° |
| H19 | C25 | C26 | H21 | 53.6° | 176.0° |
| H22 | C3 | C4 | H30 | 61.8° | 174.9° |
| H22 | C3 | C4 | H31 | 178.5° | 65.1° |
| H23 | C31 | C32 | H24 | 0.1° | 0.0° |
| H25 | C34 | C35 | H26 | 0.1° | 0.2° |
| H27 | C39 | H28 | H29 | 120.0° | 120.0° |
| H32 | C41 | H33 | H34 | 120.0° | 120.0° |
| H35 | C6 | C7 | H37 | 75.3° | 60.0° |
| H35 | C6 | C7 | H38 | 166.2° | 180.0° |
| H35 | C6 | N2 | H43 | 165.2° | 119.9° |
| H36 | C6 | C7 | H37 | 43.8° | 180.0° |
| H36 | C6 | C7 | H38 | 74.8° | 60.0° |
| H36 | C6 | N2 | H43 | 75.7° | 120.0° |
| H37 | C7 | C8 | H39 | 176.7° | 180.0° |
| H37 | C7 | C8 | H40 | 58.0° | 60.0° |
| H38 | C7 | C8 | H39 | 64.8° | 60.0° |
| H38 | C7 | C8 | H40 | 176.5° | 180.0° |
| H39 | C8 | C9 | H41 | 175.9° | 60.0° |
| H39 | C8 | C9 | H42 | 65.8° | 180.0° |
| H40 | C8 | C9 | H41 | 57.1° | 180.0° |
| H40 | C8 | C9 | H42 | 175.5° | 60.0° |
