RN3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C37 | doub | 1.21Å | 1.23Å | |
| C36 | C37 | sing | 1.51Å | 1.50Å | |
| C36 | C35 | sing | 1.53Å | 1.52Å | |
| C37 | N6 | sing | 1.34Å | 1.37Å | |
| O5 | C33 | doub | 1.21Å | 1.22Å | |
| N6 | C38 | sing | 1.34Å | 1.37Å | |
| C34 | C38 | sing | 1.51Å | 1.52Å | |
| C34 | C35 | sing | 1.53Å | 1.52Å | |
| C34 | N5 | sing | 1.46Å | 1.46Å | |
| C38 | O3 | doub | 1.21Å | 1.23Å | |
| C33 | N5 | sing | 1.35Å | 1.40Å | |
| C33 | C32 | sing | 1.48Å | 1.48Å | |
| N5 | C40 | sing | 1.35Å | 1.40Å | |
| C32 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C32 | C39 | sing | 1.41Å | 1.38Å | Aromatic |
| C31 | C30 | sing | 1.39Å | 1.39Å | Aromatic |
| C40 | C39 | sing | 1.47Å | 1.48Å | |
| C40 | O6 | doub | 1.21Å | 1.22Å | |
| CL | C11 | sing | 1.74Å | 1.74Å | |
| C39 | C28 | doub | 1.39Å | 1.40Å | Aromatic |
| C30 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | O | sing | 1.45Å | 1.45Å | |
| C12 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.38Å | Aromatic |
| C28 | C29 | sing | 1.39Å | 1.39Å | Aromatic |
| C28 | O2 | sing | 1.36Å | 1.37Å | |
| C13 | C8 | doub | 1.40Å | 1.39Å | Aromatic |
| O | C5 | sing | 1.34Å | 1.33Å | |
| O1 | C5 | doub | 1.21Å | 1.20Å | |
| C10 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| O2 | C27 | sing | 1.43Å | 1.42Å | |
| C5 | C4 | sing | 1.51Å | 1.50Å | |
| C8 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.48Å | 1.48Å | |
| C42 | C41 | sing | 1.51Å | 1.50Å | |
| N2 | C7 | doub | 1.29Å | 1.28Å | |
| N2 | C3 | sing | 1.46Å | 1.47Å | |
| C27 | C26 | sing | 1.51Å | 1.51Å | |
| C7 | C14 | sing | 1.48Å | 1.47Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C26 | N4 | sing | 1.35Å | 1.33Å | |
| C26 | O7 | doub | 1.21Å | 1.23Å | |
| C41 | C14 | sing | 1.40Å | 1.44Å | Aromatic |
| C41 | C16 | doub | 1.34Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.51Å | 1.51Å | |
| C14 | C15 | doub | 1.39Å | 1.38Å | Aromatic |
| N4 | C25 | sing | 1.47Å | 1.46Å | |
| N3 | C18 | sing | 1.47Å | 1.46Å | |
| N3 | C17 | sing | 1.35Å | 1.33Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C20 | C19 | sing | 1.53Å | 1.52Å | |
| C16 | C17 | sing | 1.46Å | 1.49Å | |
| C16 | S | sing | 1.76Å | 1.73Å | Aromatic |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C2 | N1 | doub | 1.30Å | 1.31Å | Aromatic |
| C2 | N7 | sing | 1.36Å | 1.38Å | Aromatic |
| C17 | O8 | doub | 1.22Å | 1.23Å | |
| C25 | C24 | sing | 1.53Å | 1.52Å | |
| C15 | N7 | sing | 1.39Å | 1.39Å | |
| C15 | S | sing | 1.71Å | 1.73Å | Aromatic |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| N1 | N | sing | 1.29Å | 1.39Å | Aromatic |
| N7 | C1 | sing | 1.36Å | 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 | 1.08Å | 1.08Å | |
| C12 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C18 | H7 | sing | 1.09Å | 1.10Å | |
| C18 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C24 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C29 | H25 | sing | 1.08Å | 1.08Å | |
| C3 | H26 | sing | 1.09Å | 1.10Å | |
| C30 | H27 | sing | 1.08Å | 1.08Å | |
| C31 | H28 | sing | 1.08Å | 1.08Å | |
| C34 | H29 | sing | 1.09Å | 1.10Å | |
| C35 | H30 | sing | 1.09Å | 1.10Å | |
| C35 | H31 | sing | 1.09Å | 1.10Å | |
| C36 | H32 | sing | 1.09Å | 1.10Å | |
| C36 | H33 | sing | 1.09Å | 1.10Å | |
| C4 | H34 | sing | 1.09Å | 1.10Å | |
| C4 | H35 | sing | 1.09Å | 1.10Å | |
| C42 | H36 | sing | 1.09Å | 1.10Å | |
| C42 | H37 | sing | 1.09Å | 1.10Å | |
| C42 | H38 | sing | 1.09Å | 1.10Å | |
| C6 | H39 | sing | 1.09Å | 1.10Å | |
| C6 | H40 | sing | 1.09Å | 1.10Å | |
| C6 | H41 | sing | 1.09Å | 1.10Å | |
| C9 | H42 | sing | 1.08Å | 1.08Å | |
| N3 | H43 | sing | 0.97Å | 1.00Å | |
| N4 | H44 | sing | 0.97Å | 1.00Å | |
| N6 | H45 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C37 | C36 | 122.5° | 119.3° |
| O4 | C37 | N6 | 120.4° | 119.4° |
| C37 | C36 | C35 | 113.5° | 109.2° |
| C36 | C37 | N6 | 117.1° | 121.3° |
| C37 | C36 | H32 | 108.5° | 109.5° |
| C37 | C36 | H33 | 108.5° | 109.6° |
| C36 | C35 | C34 | 109.1° | 108.6° |
| C36 | C35 | H30 | 109.6° | 109.6° |
| C36 | C35 | H31 | 109.5° | 109.8° |
| C35 | C36 | H32 | 108.4° | 109.5° |
| C35 | C36 | H33 | 108.5° | 109.6° |
| C37 | N6 | C38 | 126.9° | 122.6° |
| C37 | N6 | H45 | 116.6° | 118.7° |
| O5 | C33 | N5 | 124.9° | 125.8° |
| O5 | C33 | C32 | 129.2° | 125.7° |
| N6 | C38 | C34 | 117.0° | 121.3° |
| N6 | C38 | O3 | 121.5° | 119.4° |
| C38 | N6 | H45 | 116.6° | 118.7° |
| C38 | C34 | C35 | 111.8° | 109.2° |
| C38 | C34 | N5 | 110.7° | 109.5° |
| C34 | C38 | O3 | 121.5° | 119.3° |
| C38 | C34 | H29 | 107.6° | 109.5° |
| C35 | C34 | N5 | 110.9° | 109.5° |
| C35 | C34 | H29 | 107.4° | 109.5° |
| C34 | C35 | H30 | 109.6° | 109.7° |
| C34 | C35 | H31 | 109.6° | 109.7° |
| C34 | N5 | C33 | 124.2° | 124.4° |
| C34 | N5 | C40 | 124.3° | 124.5° |
| N5 | C34 | H29 | 108.3° | 109.6° |
| N5 | C33 | C32 | 105.8° | 108.5° |
| C33 | N5 | C40 | 111.5° | 111.1° |
| C33 | C32 | C31 | 130.3° | 134.3° |
| C33 | C32 | C39 | 108.4° | 105.8° |
| N5 | C40 | C39 | 105.9° | 108.7° |
| N5 | C40 | O6 | 124.9° | 125.6° |
| C31 | C32 | C39 | 121.4° | 119.9° |
| C32 | C31 | C30 | 119.0° | 119.9° |
| C32 | C31 | H28 | 120.5° | 120.1° |
| C32 | C39 | C40 | 108.5° | 105.9° |
| C32 | C39 | C28 | 119.0° | 119.7° |
| C31 | C30 | C29 | 120.6° | 120.6° |
| C31 | C30 | H27 | 119.7° | 119.7° |
| C30 | C31 | H28 | 120.5° | 120.0° |
| C39 | C40 | O6 | 129.2° | 125.7° |
| C40 | C39 | C28 | 132.5° | 134.3° |
| CL | C11 | C12 | 119.3° | 119.9° |
| CL | C11 | C10 | 119.3° | 119.9° |
| C39 | C28 | C29 | 120.3° | 119.6° |
| C39 | C28 | O2 | 116.2° | 120.3° |
| C30 | C29 | C28 | 119.8° | 120.4° |
| C30 | C29 | H25 | 120.1° | 119.8° |
| C29 | C30 | H27 | 119.7° | 119.7° |
| C6 | O | C5 | 116.1° | 117.0° |
| O | C6 | H39 | 109.5° | 109.4° |
| O | C6 | H40 | 109.5° | 109.5° |
| O | C6 | H41 | 109.4° | 109.4° |
| C11 | C12 | C13 | 119.2° | 120.1° |
| C12 | C11 | C10 | 121.3° | 120.2° |
| C11 | C12 | H5 | 120.4° | 120.0° |
| C12 | C13 | C8 | 120.8° | 119.9° |
| C13 | C12 | H5 | 120.4° | 119.9° |
| C12 | C13 | H6 | 119.6° | 120.1° |
| C11 | C10 | C9 | 119.2° | 120.1° |
| C11 | C10 | H4 | 120.4° | 119.9° |
| C29 | C28 | O2 | 123.6° | 120.2° |
| C28 | C29 | H25 | 120.1° | 119.8° |
| C28 | O2 | C27 | 117.5° | 117.0° |
| C13 | C8 | C9 | 118.7° | 119.8° |
| C13 | C8 | C7 | 120.7° | 120.1° |
| C8 | C13 | H6 | 119.6° | 120.0° |
| O | C5 | O1 | 123.7° | 120.0° |
| O | C5 | C4 | 111.2° | 120.0° |
| O1 | C5 | C4 | 125.1° | 120.0° |
| C10 | C9 | C8 | 120.8° | 119.9° |
| C9 | C10 | H4 | 120.4° | 119.9° |
| C10 | C9 | H42 | 119.6° | 120.1° |
| O2 | C27 | C26 | 110.8° | 109.5° |
| O2 | C27 | H23 | 109.1° | 109.4° |
| O2 | C27 | H24 | 109.2° | 109.5° |
| C5 | C4 | C3 | 112.0° | 109.4° |
| C5 | C4 | H34 | 108.8° | 109.5° |
| C5 | C4 | H35 | 108.8° | 109.5° |
| C9 | C8 | C7 | 120.6° | 120.2° |
| C8 | C9 | H42 | 119.6° | 120.1° |
| C8 | C7 | N2 | 117.4° | 117.0° |
| C8 | C7 | C14 | 117.4° | 117.0° |
| C42 | C41 | C14 | 124.3° | 122.6° |
| C42 | C41 | C16 | 123.9° | 122.7° |
| C41 | C42 | H36 | 109.5° | 109.5° |
| C41 | C42 | H37 | 109.5° | 109.5° |
| C41 | C42 | H38 | 109.4° | 109.5° |
| C7 | N2 | C3 | 117.6° | 122.5° |
| N2 | C7 | C14 | 125.1° | 126.0° |
| N2 | C3 | C4 | 110.1° | 109.6° |
| N2 | C3 | C2 | 108.2° | 109.2° |
| N2 | C3 | H26 | 109.7° | 109.5° |
| C27 | C26 | N4 | 116.9° | 120.0° |
| C27 | C26 | O7 | 119.8° | 120.0° |
| C26 | C27 | H23 | 109.2° | 109.4° |
| C26 | C27 | H24 | 109.1° | 109.5° |
| C7 | C14 | C41 | 123.2° | 123.0° |
| C7 | C14 | C15 | 124.8° | 124.5° |
| C4 | C3 | C2 | 110.7° | 109.5° |
| C4 | C3 | H26 | 108.9° | 109.5° |
| C3 | C4 | H34 | 108.8° | 109.5° |
| C3 | C4 | H35 | 108.8° | 109.5° |
| N4 | C26 | O7 | 123.3° | 120.0° |
| C26 | N4 | C25 | 122.9° | 120.0° |
| C26 | N4 | H44 | 118.5° | 120.0° |
| C14 | C41 | C16 | 111.8° | 114.7° |
| C41 | C14 | C15 | 111.9° | 112.5° |
| C41 | C16 | C17 | 131.8° | 125.0° |
| C41 | C16 | S | 112.7° | 110.0° |
| C3 | C2 | N1 | 131.0° | 127.8° |
| C3 | C2 | N7 | 119.7° | 125.0° |
| C2 | C3 | H26 | 109.2° | 109.5° |
| C14 | C15 | N7 | 123.1° | 124.2° |
| C14 | C15 | S | 112.9° | 110.9° |
| N4 | C25 | C24 | 112.1° | 109.5° |
| N4 | C25 | H21 | 108.8° | 109.5° |
| N4 | C25 | H22 | 108.8° | 109.4° |
| C25 | N4 | H44 | 118.5° | 119.9° |
| C18 | N3 | C17 | 122.3° | 120.0° |
| N3 | C18 | C19 | 112.1° | 109.5° |
| N3 | C18 | H7 | 108.8° | 109.5° |
| N3 | C18 | H8 | 108.8° | 109.4° |
| C18 | N3 | H43 | 118.9° | 120.0° |
| N3 | C17 | C16 | 117.2° | 120.0° |
| N3 | C17 | O8 | 122.9° | 120.0° |
| C17 | N3 | H43 | 118.9° | 120.0° |
| C18 | C19 | C20 | 113.3° | 109.5° |
| C19 | C18 | H7 | 108.8° | 109.5° |
| C19 | C18 | H8 | 108.8° | 109.5° |
| C18 | C19 | H9 | 108.5° | 109.5° |
| C18 | C19 | H10 | 108.5° | 109.5° |
| C21 | C20 | C19 | 113.9° | 109.5° |
| C20 | C21 | C22 | 113.9° | 109.5° |
| C21 | C20 | H11 | 108.3° | 109.5° |
| C21 | C20 | H12 | 108.4° | 109.5° |
| C20 | C21 | H13 | 108.3° | 109.5° |
| C20 | C21 | H14 | 108.4° | 109.5° |
| C20 | C19 | H9 | 108.5° | 109.5° |
| C20 | C19 | H10 | 108.5° | 109.5° |
| C19 | C20 | H11 | 108.4° | 109.5° |
| C19 | C20 | H12 | 108.3° | 109.5° |
| C17 | C16 | S | 115.4° | 125.0° |
| C16 | C17 | O8 | 119.9° | 120.0° |
| C16 | S | C15 | 90.7° | 92.0° |
| C21 | C22 | C23 | 113.9° | 109.5° |
| C22 | C21 | H13 | 108.4° | 109.5° |
| C22 | C21 | H14 | 108.4° | 109.5° |
| C21 | C22 | H15 | 108.3° | 109.5° |
| C21 | C22 | H16 | 108.4° | 109.5° |
| N1 | C2 | N7 | 109.3° | 107.1° |
| C2 | N1 | N | 107.7° | 109.7° |
| C2 | N7 | C15 | 122.6° | 124.6° |
| C2 | N7 | C1 | 105.4° | 106.4° |
| C25 | C24 | C23 | 113.3° | 109.5° |
| C25 | C24 | H19 | 108.5° | 109.5° |
| C25 | C24 | H20 | 108.5° | 109.5° |
| C24 | C25 | H21 | 108.8° | 109.5° |
| C24 | C25 | H22 | 108.8° | 109.5° |
| N7 | C15 | S | 124.0° | 125.0° |
| C15 | N7 | C1 | 132.0° | 129.0° |
| C24 | C23 | C22 | 113.9° | 109.5° |
| C24 | C23 | H17 | 108.4° | 109.5° |
| C24 | C23 | H18 | 108.4° | 109.5° |
| C23 | C24 | H19 | 108.5° | 109.5° |
| C23 | C24 | H20 | 108.5° | 109.5° |
| C23 | C22 | H15 | 108.3° | 109.5° |
| C23 | C22 | H16 | 108.3° | 109.4° |
| C22 | C23 | H17 | 108.3° | 109.5° |
| C22 | C23 | H18 | 108.3° | 109.4° |
| N1 | N | C1 | 108.0° | 110.0° |
| N7 | C1 | N | 109.5° | 106.8° |
| N7 | C1 | C | 124.6° | 126.7° |
| N | C1 | C | 125.9° | 126.6° |
| C1 | C | H1 | 109.5° | 109.5° |
| C1 | C | H2 | 109.5° | 109.4° |
| C1 | C | H3 | 109.4° | 109.5° |
| H1 | C | H2 | 109.4° | 109.4° |
| H1 | C | H3 | 109.5° | 109.5° |
| H2 | C | H3 | 109.5° | 109.5° |
| H7 | C18 | H8 | 109.5° | 109.5° |
| H9 | C19 | H10 | 109.5° | 109.5° |
| H11 | C20 | H12 | 109.5° | 109.4° |
| H13 | C21 | H14 | 109.5° | 109.4° |
| H15 | C22 | H16 | 109.5° | 109.5° |
| H17 | C23 | H18 | 109.5° | 109.5° |
| H19 | C24 | H20 | 109.5° | 109.4° |
| H21 | C25 | H22 | 109.4° | 109.5° |
| H23 | C27 | H24 | 109.4° | 109.5° |
| H30 | C35 | H31 | 109.5° | 109.6° |
| H32 | C36 | H33 | 109.5° | 109.5° |
| H34 | C4 | H35 | 109.5° | 109.4° |
| H36 | C42 | H37 | 109.4° | 109.4° |
| H36 | C42 | H38 | 109.5° | 109.5° |
| H37 | C42 | H38 | 109.5° | 109.4° |
| H39 | C6 | H40 | 109.5° | 109.5° |
| H39 | C6 | H41 | 109.5° | 109.5° |
| H40 | C6 | H41 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C37 | C36 | N6 | 180.0° | 180.0° |
| O4 | C37 | C36 | C35 | 154.7° | 151.0° |
| O4 | C37 | N6 | C38 | 178.8° | 179.5° |
| O4 | C37 | C36 | H32 | 34.1° | 89.2° |
| O4 | C37 | C36 | H33 | 84.7° | 31.0° |
| O4 | C37 | N6 | H45 | 1.2° | 0.6° |
| C37 | C36 | C35 | H32 | 120.6° | 119.9° |
| C37 | C36 | C35 | H33 | 120.6° | 120.0° |
| C36 | C37 | N6 | C38 | 1.3° | 0.5° |
| C37 | C36 | C35 | C34 | 52.0° | 55.6° |
| C37 | C36 | C35 | H30 | 67.9° | 175.4° |
| C37 | C36 | C35 | H31 | 171.9° | 64.3° |
| C37 | C36 | H32 | H33 | 118.2° | 120.2° |
| C36 | C37 | N6 | H45 | 178.8° | 179.4° |
| C35 | C36 | C37 | N6 | 25.3° | 29.0° |
| C36 | C35 | C34 | C38 | 53.7° | 55.6° |
| C36 | C35 | C34 | H30 | 119.9° | 119.7° |
| C36 | C35 | C34 | H31 | 119.9° | 119.9° |
| C36 | C35 | C34 | N5 | 177.8° | 175.5° |
| C36 | C35 | C34 | H29 | 64.1° | 64.3° |
| C36 | C35 | H30 | H31 | 120.1° | 120.5° |
| C35 | C36 | H32 | H33 | 118.2° | 120.2° |
| C37 | N6 | C38 | H45 | 180.0° | 179.9° |
| C37 | N6 | C38 | C34 | 1.2° | 0.4° |
| C37 | N6 | C38 | O3 | 178.8° | 179.4° |
| N6 | C37 | C36 | H32 | 145.9° | 90.8° |
| N6 | C37 | C36 | H33 | 95.3° | 149.0° |
| O5 | C33 | N5 | C34 | 0.0° | 0.1° |
| O5 | C33 | N5 | C32 | 180.0° | 180.0° |
| O5 | C33 | N5 | C40 | 180.0° | 179.8° |
| O5 | C33 | C32 | C31 | 0.0° | 0.0° |
| O5 | C33 | C32 | C39 | 180.0° | 179.8° |
| N6 | C38 | C34 | O3 | 179.9° | 179.9° |
| N6 | C38 | C34 | C35 | 29.7° | 29.0° |
| N6 | C38 | C34 | N5 | 153.9° | 149.0° |
| N6 | C38 | C34 | H29 | 88.0° | 90.8° |
| C38 | C34 | C35 | N5 | 124.1° | 119.9° |
| C38 | C34 | C35 | H29 | 117.8° | 119.9° |
| C38 | C34 | N5 | H29 | 117.7° | 120.1° |
| C38 | C34 | N5 | C33 | 132.4° | 60.0° |
| C38 | C34 | N5 | C40 | 47.5° | 119.8° |
| C38 | C34 | C35 | H30 | 66.2° | 175.3° |
| C38 | C34 | C35 | H31 | 173.6° | 64.3° |
| C34 | C38 | N6 | H45 | 178.8° | 179.4° |
| C35 | C34 | N5 | H29 | 117.6° | 120.1° |
| C35 | C34 | C38 | O3 | 150.2° | 150.9° |
| C35 | C34 | N5 | C33 | 102.8° | 59.7° |
| C35 | C34 | N5 | C40 | 77.2° | 120.5° |
| C34 | C35 | H30 | H31 | 120.2° | 120.4° |
| C34 | C35 | C36 | H32 | 172.6° | 64.3° |
| C34 | C35 | C36 | H33 | 68.6° | 175.5° |
| N5 | C34 | C38 | O3 | 26.1° | 30.9° |
| C34 | N5 | C33 | C40 | 180.0° | 179.8° |
| C34 | N5 | C33 | C32 | 180.0° | 180.0° |
| C34 | N5 | C40 | C39 | 180.0° | 179.8° |
| C34 | N5 | C40 | O6 | 0.0° | 0.1° |
| N5 | C34 | C35 | H30 | 57.8° | 64.8° |
| N5 | C34 | C35 | H31 | 62.3° | 55.6° |
| O3 | C38 | C34 | H29 | 92.0° | 89.3° |
| O3 | C38 | N6 | H45 | 1.2° | 0.7° |
| N5 | C33 | C32 | C31 | 180.0° | 180.0° |
| N5 | C33 | C32 | C39 | 0.0° | 0.3° |
| C33 | N5 | C40 | C39 | 0.0° | 0.1° |
| C33 | N5 | C40 | O6 | 180.0° | 179.8° |
| C33 | N5 | C34 | H29 | 14.8° | 179.9° |
| C32 | C33 | N5 | C40 | 0.0° | 0.2° |
| C33 | C32 | C31 | C39 | 179.9° | 179.7° |
| C33 | C32 | C31 | C30 | 180.0° | 180.0° |
| C33 | C32 | C39 | C40 | 0.0° | 0.2° |
| C33 | C32 | C39 | C28 | 180.0° | 179.7° |
| C33 | C32 | C31 | H28 | 0.0° | 0.0° |
| N5 | C40 | C39 | C32 | 0.0° | 0.1° |
| N5 | C40 | C39 | O6 | 180.0° | 179.9° |
| N5 | C40 | C39 | C28 | 180.0° | 179.5° |
| C40 | N5 | C34 | H29 | 165.2° | 0.4° |
| C32 | C31 | C30 | H28 | 180.0° | 180.0° |
| C31 | C32 | C39 | C40 | 180.0° | 180.0° |
| C31 | C32 | C39 | C28 | 0.0° | 0.5° |
| C32 | C31 | C30 | C29 | 0.0° | 0.0° |
| C32 | C31 | C30 | H27 | 180.0° | 180.0° |
| C39 | C32 | C31 | C30 | 0.0° | 0.2° |
| C32 | C39 | C40 | C28 | 180.0° | 179.4° |
| C32 | C39 | C40 | O6 | 180.0° | 180.0° |
| C32 | C39 | C28 | C29 | 0.0° | 0.5° |
| C32 | C39 | C28 | O2 | 180.0° | 179.7° |
| C39 | C32 | C31 | H28 | 180.0° | 179.7° |
| C31 | C30 | C29 | H27 | 180.0° | 180.0° |
| C31 | C30 | C29 | C28 | 0.0° | 0.0° |
| C31 | C30 | C29 | H25 | 180.0° | 180.0° |
| C40 | C39 | C28 | C29 | 180.0° | 179.8° |
| C40 | C39 | C28 | O2 | 0.0° | 0.4° |
| O6 | C40 | C39 | C28 | 0.0° | 0.7° |
| CL | C11 | C12 | C10 | 180.0° | 180.0° |
| CL | C11 | C12 | C13 | 180.0° | 180.0° |
| CL | C11 | C10 | C9 | 180.0° | 180.0° |
| CL | C11 | C10 | H4 | 0.0° | 0.3° |
| CL | C11 | C12 | H5 | 0.0° | 0.0° |
| C39 | C28 | C29 | C30 | 0.0° | 0.3° |
| C39 | C28 | C29 | O2 | 179.9° | 179.8° |
| C39 | C28 | O2 | C27 | 178.0° | 179.7° |
| C39 | C28 | C29 | H25 | 180.0° | 179.7° |
| C30 | C29 | C28 | H25 | 180.0° | 180.0° |
| C30 | C29 | C28 | O2 | 180.0° | 180.0° |
| C29 | C30 | C31 | H28 | 180.0° | 180.0° |
| C6 | O | C5 | O1 | 13.7° | 0.0° |
| C6 | O | C5 | C4 | 166.3° | 180.0° |
| O | C6 | H39 | H40 | 120.0° | 120.0° |
| O | C6 | H39 | H41 | 120.0° | 120.0° |
| O | C6 | H40 | H41 | 120.0° | 120.0° |
| C11 | C12 | C13 | H5 | 180.0° | 180.0° |
| C11 | C12 | C13 | C8 | 0.0° | 0.0° |
| C12 | C11 | C10 | C9 | 0.0° | 0.1° |
| C12 | C11 | C10 | H4 | 180.0° | 179.7° |
| C11 | C12 | C13 | H6 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 0.0° | 0.1° |
| C12 | C13 | C8 | H6 | 180.0° | 179.9° |
| C12 | C13 | C8 | C9 | 0.0° | 0.0° |
| C12 | C13 | C8 | C7 | 180.0° | 180.0° |
| C11 | C10 | C9 | H4 | 180.0° | 179.7° |
| C11 | C10 | C9 | C8 | 0.0° | 0.1° |
| C10 | C11 | C12 | H5 | 180.0° | 180.0° |
| C11 | C10 | C9 | H42 | 180.0° | 179.7° |
| C29 | C28 | O2 | C27 | 2.1° | 0.0° |
| C28 | C29 | C30 | H27 | 180.0° | 180.0° |
| C28 | O2 | C27 | C26 | 111.4° | 180.0° |
| C28 | O2 | C27 | H23 | 8.8° | 60.1° |
| C28 | O2 | C27 | H24 | 128.4° | 60.0° |
| O2 | C28 | C29 | H25 | 0.0° | 0.0° |
| C13 | C8 | C9 | C10 | 0.0° | 0.1° |
| C13 | C8 | C9 | C7 | 180.0° | 179.9° |
| C13 | C8 | C7 | N2 | 29.2° | 145.9° |
| C13 | C8 | C7 | C14 | 151.0° | 34.2° |
| C8 | C13 | C12 | H5 | 180.0° | 180.0° |
| C13 | C8 | C9 | H42 | 180.0° | 179.7° |
| O | C5 | O1 | C4 | 180.0° | 180.0° |
| O | C5 | C4 | C3 | 51.5° | 180.0° |
| O | C5 | C4 | H34 | 68.9° | 60.0° |
| O | C5 | C4 | H35 | 171.9° | 60.0° |
| C5 | O | C6 | H39 | 180.0° | 180.0° |
| C5 | O | C6 | H40 | 60.0° | 60.0° |
| C5 | O | C6 | H41 | 60.0° | 60.0° |
| O1 | C5 | C4 | C3 | 128.5° | 0.0° |
| O1 | C5 | C4 | H34 | 111.1° | 120.0° |
| O1 | C5 | C4 | H35 | 8.1° | 120.0° |
| C10 | C9 | C8 | H42 | 180.0° | 179.8° |
| C10 | C9 | C8 | C7 | 180.0° | 180.0° |
| O2 | C27 | C26 | H23 | 120.2° | 119.9° |
| O2 | C27 | C26 | H24 | 120.2° | 120.0° |
| O2 | C27 | C26 | N4 | 104.4° | 180.0° |
| O2 | C27 | C26 | O7 | 75.6° | 0.0° |
| O2 | C27 | H23 | H24 | 119.4° | 120.0° |
| C5 | C4 | C3 | N2 | 18.6° | 65.3° |
| C5 | C4 | C3 | H34 | 120.4° | 120.0° |
| C5 | C4 | C3 | H35 | 120.4° | 120.0° |
| C5 | C4 | C3 | C2 | 138.2° | 175.0° |
| C5 | C4 | C3 | H26 | 101.8° | 54.9° |
| C5 | C4 | H34 | H35 | 118.8° | 120.0° |
| C9 | C8 | C7 | N2 | 150.9° | 34.1° |
| C9 | C8 | C7 | C14 | 29.0° | 145.9° |
| C8 | C9 | C10 | H4 | 180.0° | 179.7° |
| C9 | C8 | C13 | H6 | 180.0° | 180.0° |
| C8 | C7 | N2 | C14 | 179.8° | 179.9° |
| C8 | C7 | N2 | C3 | 179.9° | 175.0° |
| C8 | C7 | C14 | C41 | 42.8° | 35.9° |
| C8 | C7 | C14 | C15 | 136.9° | 142.3° |
| C7 | C8 | C13 | H6 | 0.0° | 0.1° |
| C7 | C8 | C9 | H42 | 0.0° | 0.2° |
| C42 | C41 | C14 | C7 | 0.3° | 3.3° |
| C42 | C41 | C14 | C16 | 180.0° | 180.0° |
| C42 | C41 | C14 | C15 | 179.9° | 178.4° |
| C42 | C41 | C16 | C17 | 0.1° | 0.5° |
| C42 | C41 | C16 | S | 180.0° | 179.5° |
| C41 | C42 | H36 | H37 | 120.0° | 120.0° |
| C41 | C42 | H36 | H38 | 120.0° | 120.1° |
| C41 | C42 | H37 | H38 | 120.0° | 120.0° |
| C7 | N2 | C3 | C4 | 170.2° | 57.3° |
| N2 | C7 | C14 | C41 | 137.3° | 144.1° |
| C7 | N2 | C3 | C2 | 68.7° | 62.6° |
| N2 | C7 | C14 | C15 | 42.9° | 37.8° |
| C7 | N2 | C3 | H26 | 50.4° | 177.4° |
| C3 | N2 | C7 | C14 | 0.2° | 4.9° |
| N2 | C3 | C4 | C2 | 119.6° | 119.7° |
| N2 | C3 | C4 | H26 | 120.4° | 120.2° |
| N2 | C3 | C2 | H26 | 119.4° | 119.9° |
| N2 | C3 | C2 | N1 | 109.8° | 119.9° |
| N2 | C3 | C2 | N7 | 70.4° | 59.4° |
| N2 | C3 | C4 | H34 | 139.0° | 54.7° |
| N2 | C3 | C4 | H35 | 101.8° | 174.7° |
| C27 | C26 | N4 | O7 | 179.9° | 180.0° |
| C27 | C26 | N4 | C25 | 151.4° | 180.0° |
| C26 | C27 | H23 | H24 | 119.4° | 120.0° |
| C27 | C26 | N4 | H44 | 28.6° | 0.0° |
| C7 | C14 | C41 | C15 | 179.8° | 178.4° |
| C7 | C14 | C41 | C16 | 179.7° | 176.8° |
| C7 | C14 | C15 | N7 | 0.5° | 4.1° |
| C7 | C14 | C15 | S | 179.7° | 176.3° |
| C4 | C3 | C2 | H26 | 119.9° | 120.1° |
| C4 | C3 | C2 | N1 | 10.9° | 120.1° |
| C4 | C3 | C2 | N7 | 168.9° | 60.5° |
| C3 | C4 | H34 | H35 | 118.8° | 120.0° |
| C26 | N4 | C25 | H44 | 180.0° | 179.9° |
| C26 | N4 | C25 | C24 | 136.1° | 180.0° |
| C26 | N4 | C25 | H21 | 15.8° | 60.0° |
| C26 | N4 | C25 | H22 | 103.4° | 60.0° |
| N4 | C26 | C27 | H23 | 15.8° | 60.0° |
| N4 | C26 | C27 | H24 | 135.3° | 60.0° |
| O7 | C26 | N4 | C25 | 28.5° | 0.0° |
| O7 | C26 | C27 | H23 | 164.2° | 119.9° |
| O7 | C26 | C27 | H24 | 44.6° | 120.0° |
| O7 | C26 | N4 | H44 | 151.5° | 180.0° |
| C14 | C41 | C16 | C17 | 180.0° | 179.5° |
| C14 | C41 | C16 | S | 0.0° | 0.4° |
| C41 | C14 | C15 | N7 | 179.7° | 177.5° |
| C41 | C14 | C15 | S | 0.1° | 2.0° |
| C14 | C41 | C42 | H36 | 90.0° | 95.8° |
| C14 | C41 | C42 | H37 | 150.0° | 144.2° |
| C14 | C41 | C42 | H38 | 30.0° | 24.3° |
| C16 | C41 | C14 | C15 | 0.0° | 1.6° |
| C41 | C16 | C17 | N3 | 31.0° | 180.0° |
| C41 | C16 | C17 | S | 180.0° | 179.9° |
| C41 | C16 | C17 | O8 | 149.0° | 0.1° |
| C41 | C16 | S | C15 | 0.0° | 0.6° |
| C16 | C41 | C42 | H36 | 90.0° | 84.2° |
| C16 | C41 | C42 | H37 | 30.0° | 35.7° |
| C16 | C41 | C42 | H38 | 150.0° | 155.7° |
| C3 | C2 | N1 | N7 | 179.8° | 179.4° |
| C3 | C2 | N7 | C15 | 0.4° | 1.5° |
| C3 | C2 | N1 | N | 179.8° | 178.9° |
| C3 | C2 | N7 | C1 | 179.8° | 178.8° |
| C2 | C3 | C4 | H34 | 101.4° | 65.0° |
| C2 | C3 | C4 | H35 | 17.8° | 55.0° |
| C14 | C15 | S | C16 | 0.1° | 1.5° |
| C14 | C15 | N7 | C2 | 39.2° | 33.7° |
| C14 | C15 | N7 | S | 179.8° | 179.5° |
| C14 | C15 | N7 | C1 | 140.5° | 146.7° |
| N4 | C25 | C24 | H21 | 120.4° | 120.0° |
| N4 | C25 | C24 | H22 | 120.4° | 120.0° |
| N4 | C25 | C24 | C23 | 104.2° | 180.0° |
| N4 | C25 | C24 | H19 | 16.3° | 60.0° |
| N4 | C25 | C24 | H20 | 135.2° | 60.0° |
| N4 | C25 | H21 | H22 | 118.8° | 120.0° |
| C18 | N3 | C17 | H43 | 180.0° | 179.9° |
| N3 | C18 | C19 | H7 | 120.4° | 120.0° |
| N3 | C18 | C19 | H8 | 120.4° | 119.9° |
| N3 | C18 | C19 | C20 | 100.9° | 179.9° |
| C18 | N3 | C17 | C16 | 149.2° | 180.0° |
| C18 | N3 | C17 | O8 | 30.8° | 0.1° |
| N3 | C18 | H7 | H8 | 118.8° | 119.9° |
| N3 | C18 | C19 | H9 | 138.5° | 60.0° |
| N3 | C18 | C19 | H10 | 19.7° | 59.9° |
| C17 | N3 | C18 | C19 | 57.4° | 180.0° |
| N3 | C17 | C16 | O8 | 180.0° | 179.9° |
| N3 | C17 | C16 | S | 149.1° | 0.1° |
| C17 | N3 | C18 | H7 | 177.8° | 59.9° |
| C17 | N3 | C18 | H8 | 62.9° | 60.0° |
| C18 | C19 | C20 | C21 | 142.3° | 180.0° |
| C18 | C19 | C20 | H9 | 120.6° | 120.0° |
| C18 | C19 | C20 | H10 | 120.5° | 120.0° |
| C19 | C18 | H7 | H8 | 118.8° | 120.1° |
| C18 | C19 | H9 | H10 | 118.2° | 120.0° |
| C18 | C19 | C20 | H11 | 97.1° | 60.0° |
| C18 | C19 | C20 | H12 | 21.6° | 60.0° |
| C19 | C18 | N3 | H43 | 122.6° | 0.1° |
| C21 | C20 | C19 | H11 | 120.6° | 120.1° |
| C21 | C20 | C19 | H12 | 120.7° | 120.0° |
| C20 | C21 | C22 | H13 | 120.6° | 120.1° |
| C20 | C21 | C22 | H14 | 120.7° | 120.0° |
| C20 | C21 | C22 | C23 | 128.1° | 180.0° |
| C21 | C20 | C19 | H9 | 97.2° | 59.9° |
| C21 | C20 | C19 | H10 | 21.7° | 60.1° |
| C21 | C20 | H11 | H12 | 118.0° | 120.0° |
| C20 | C21 | H13 | H14 | 118.0° | 120.0° |
| C20 | C21 | C22 | H15 | 7.5° | 59.9° |
| C20 | C21 | C22 | H16 | 111.3° | 60.1° |
| C19 | C20 | C21 | C22 | 87.7° | NaN° |
| C20 | C19 | C18 | H7 | 19.5° | 60.0° |
| C20 | C19 | C18 | H8 | 138.8° | 60.0° |
| C20 | C19 | H9 | H10 | 118.3° | 120.0° |
| C19 | C20 | H11 | H12 | 118.0° | 120.0° |
| C19 | C20 | C21 | H13 | 32.9° | 59.9° |
| C19 | C20 | C21 | H14 | 151.6° | 60.0° |
| C17 | C16 | S | C15 | 180.0° | 179.4° |
| C16 | C17 | N3 | H43 | 30.8° | 0.1° |
| S | C16 | C17 | O8 | 31.0° | 180.0° |
| C16 | S | C15 | N7 | 179.8° | 178.0° |
| C21 | C22 | C23 | C24 | 75.1° | 180.0° |
| C21 | C22 | C23 | H15 | 120.6° | 120.0° |
| C21 | C22 | C23 | H16 | 120.7° | 120.0° |
| C22 | C21 | C20 | H11 | 33.0° | 59.9° |
| C22 | C21 | C20 | H12 | 151.6° | 60.0° |
| C22 | C21 | H13 | H14 | 118.0° | 120.0° |
| C21 | C22 | H15 | H16 | 118.0° | 120.0° |
| C21 | C22 | C23 | H17 | 164.2° | 60.0° |
| C21 | C22 | C23 | H18 | 45.5° | 60.0° |
| N1 | C2 | N7 | C15 | 179.8° | 179.0° |
| N1 | C2 | N7 | C1 | 0.0° | 0.6° |
| C2 | N1 | N | C1 | 0.0° | 0.2° |
| N1 | C2 | C3 | H26 | 130.8° | 0.0° |
| C2 | N7 | C15 | C1 | 179.7° | 179.6° |
| C2 | N7 | C15 | S | 140.6° | 145.8° |
| N7 | C2 | N1 | N | 0.0° | 0.5° |
| C2 | N7 | C1 | N | 0.0° | 0.5° |
| C2 | N7 | C1 | C | 180.0° | 179.5° |
| N7 | C2 | C3 | H26 | 49.0° | 179.3° |
| O8 | C17 | N3 | H43 | 149.2° | 180.0° |
| C25 | C24 | C23 | H19 | 120.6° | 120.0° |
| C25 | C24 | C23 | H20 | 120.6° | 120.0° |
| C25 | C24 | C23 | C22 | 164.7° | 180.0° |
| C25 | C24 | C23 | H17 | 74.6° | 60.0° |
| C25 | C24 | C23 | H18 | 44.1° | 60.0° |
| C25 | C24 | H19 | H20 | 118.3° | 120.0° |
| C24 | C25 | H21 | H22 | 118.8° | 120.0° |
| C24 | C25 | N4 | H44 | 43.9° | 0.1° |
| C15 | N7 | C1 | N | 179.8° | 179.1° |
| C15 | N7 | C1 | C | 0.2° | 0.9° |
| S | C15 | N7 | C1 | 39.7° | 33.8° |
| C24 | C23 | C22 | H17 | 120.6° | 120.0° |
| C24 | C23 | C22 | H18 | 120.6° | 120.0° |
| C24 | C23 | C22 | H15 | 164.2° | 60.0° |
| C24 | C23 | C22 | H16 | 45.5° | 60.0° |
| C24 | C23 | H17 | H18 | 118.0° | 120.0° |
| C23 | C24 | H19 | H20 | 118.2° | 120.0° |
| C23 | C24 | C25 | H21 | 135.4° | 60.0° |
| C23 | C24 | C25 | H22 | 16.2° | 60.0° |
| C23 | C22 | C21 | H13 | 111.3° | 60.0° |
| C23 | C22 | C21 | H14 | 7.4° | 60.0° |
| C23 | C22 | H15 | H16 | 118.0° | 119.9° |
| C22 | C23 | H17 | H18 | 118.0° | 119.9° |
| C22 | C23 | C24 | H19 | 44.2° | 60.0° |
| C22 | C23 | C24 | H20 | 74.7° | 59.9° |
| N1 | N | C1 | N7 | 0.0° | 0.2° |
| N1 | N | C1 | C | 180.0° | 179.8° |
| N7 | C1 | N | C | 180.0° | 180.0° |
| N7 | C1 | C | H1 | 180.0° | 90.0° |
| N7 | C1 | C | H2 | 60.0° | 29.9° |
| N7 | C1 | C | H3 | 60.0° | 150.0° |
| N | C1 | C | H1 | 0.0° | 90.0° |
| N | C1 | C | H2 | 120.0° | 150.1° |
| N | C1 | C | H3 | 120.0° | 30.0° |
| C1 | C | H1 | H2 | 120.0° | 119.9° |
| C1 | C | H1 | H3 | 120.0° | 120.1° |
| C1 | C | H2 | H3 | 120.0° | 120.1° |
| H1 | C | H2 | H3 | 120.0° | 120.0° |
| H4 | C10 | C9 | H42 | 0.0° | 0.0° |
| H5 | C12 | C13 | H6 | 0.0° | 0.0° |
| H7 | C18 | C19 | H9 | 101.0° | 60.0° |
| H7 | C18 | C19 | H10 | 140.1° | 180.0° |
| H7 | C18 | N3 | H43 | 2.2° | 120.0° |
| H8 | C18 | C19 | H9 | 18.2° | 180.0° |
| H8 | C18 | C19 | H10 | 100.7° | 60.0° |
| H8 | C18 | N3 | H43 | 117.1° | 120.1° |
| H9 | C19 | C20 | H11 | 23.5° | 180.0° |
| H9 | C19 | C20 | H12 | 142.2° | 60.0° |
| H10 | C19 | C20 | H11 | 142.4° | 60.0° |
| H10 | C19 | C20 | H12 | 98.9° | 179.9° |
| H11 | C20 | C21 | H13 | 153.6° | 180.0° |
| H11 | C20 | C21 | H14 | 87.7° | 60.0° |
| H12 | C20 | C21 | H13 | 87.7° | 60.1° |
| H12 | C20 | C21 | H14 | 31.0° | 180.0° |
| H13 | C21 | C22 | H15 | 128.1° | 180.0° |
| H13 | C21 | C22 | H16 | 9.4° | 60.0° |
| H14 | C21 | C22 | H15 | 113.2° | 60.0° |
| H14 | C21 | C22 | H16 | 128.1° | 179.9° |
| H15 | C22 | C23 | H17 | 43.6° | 180.0° |
| H15 | C22 | C23 | H18 | 75.1° | 60.0° |
| H16 | C22 | C23 | H17 | 75.1° | 60.0° |
| H16 | C22 | C23 | H18 | 166.2° | NaN° |
| H17 | C23 | C24 | H19 | 164.8° | 180.0° |
| H17 | C23 | C24 | H20 | 45.9° | 60.0° |
| H18 | C23 | C24 | H19 | 76.5° | 60.0° |
| H18 | C23 | C24 | H20 | 164.7° | 179.9° |
| H19 | C24 | C25 | H21 | 104.1° | 180.0° |
| H19 | C24 | C25 | H22 | 136.7° | 60.0° |
| H20 | C24 | C25 | H21 | 14.8° | 60.0° |
| H20 | C24 | C25 | H22 | 104.4° | 180.0° |
| H21 | C25 | N4 | H44 | 164.2° | 120.0° |
| H22 | C25 | N4 | H44 | 76.6° | 120.1° |
| H25 | C29 | C30 | H27 | 0.0° | 0.0° |
| H26 | C3 | C4 | H34 | 18.6° | 174.9° |
| H26 | C3 | C4 | H35 | 137.9° | 65.1° |
| H27 | C30 | C31 | H28 | 0.0° | 0.0° |
| H29 | C34 | C35 | H30 | 176.0° | 55.4° |
| H29 | C34 | C35 | H31 | 55.8° | 175.8° |
| H30 | C35 | C36 | H32 | 52.6° | 55.5° |
| H30 | C35 | C36 | H33 | 171.4° | 64.7° |
| H31 | C35 | C36 | H32 | 67.5° | 175.8° |
| H31 | C35 | C36 | H33 | 51.3° | 55.7° |
| H36 | C42 | H37 | H38 | 120.0° | 120.0° |
| H39 | C6 | H40 | H41 | 120.0° | 120.0° |
