NNA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O2 | doub | 1.22Å | 1.24Å | |
| C1 | N3 | sing | 1.35Å | 1.33Å | |
| C1 | N18 | sing | 1.35Å | 1.33Å | |
| N3 | C4 | sing | 1.46Å | 1.47Å | |
| C4 | C5 | sing | 1.53Å | 1.58Å | |
| C4 | C6 | sing | 1.53Å | 1.57Å | |
| C4 | C10 | sing | 1.53Å | 1.53Å | |
| C5 | C7 | sing | 1.53Å | 1.53Å | |
| C6 | C8 | sing | 1.53Å | 1.55Å | |
| C7 | C9 | sing | 1.53Å | 1.52Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C10 | S11 | sing | 1.81Å | 1.83Å | |
| S11 | O12 | doub | 1.42Å | 1.44Å | |
| S11 | O13 | doub | 1.42Å | 1.43Å | |
| S11 | C14 | sing | 1.81Å | 1.78Å | |
| C14 | C15 | sing | 1.53Å | 1.56Å | |
| C14 | C16 | sing | 1.53Å | 1.55Å | |
| C14 | C17 | sing | 1.53Å | 1.54Å | |
| N18 | C19 | sing | 1.46Å | 1.46Å | |
| C19 | C20 | sing | 1.53Å | 1.58Å | |
| C19 | C24 | sing | 1.51Å | 1.53Å | |
| C20 | C21 | sing | 1.53Å | 1.56Å | |
| C20 | C22 | sing | 1.53Å | 1.57Å | |
| C20 | C23 | sing | 1.53Å | 1.57Å | |
| C24 | O25 | doub | 1.21Å | 1.23Å | |
| C24 | N26 | sing | 1.35Å | 1.34Å | |
| N26 | C27 | sing | 1.48Å | 1.47Å | |
| N26 | C28 | sing | 1.48Å | 1.47Å | |
| C27 | C30 | sing | 1.54Å | 1.51Å | |
| C28 | C29 | sing | 1.54Å | 1.48Å | |
| C28 | C34 | sing | 1.51Å | 1.52Å | |
| C29 | C30 | sing | 1.55Å | 1.49Å | |
| C29 | C31 | sing | 1.53Å | 1.53Å | |
| C30 | C31 | sing | 1.54Å | 1.52Å | |
| C31 | C32 | sing | 1.53Å | 1.49Å | |
| C31 | C33 | sing | 1.53Å | 1.50Å | |
| C34 | O35 | doub | 1.21Å | 1.24Å | |
| C34 | N36 | sing | 1.35Å | 1.33Å | |
| N36 | C37 | sing | 1.46Å | 1.46Å | |
| C37 | C38 | sing | 1.53Å | 1.54Å | |
| C37 | C43 | sing | 1.53Å | 1.56Å | |
| C38 | C39 | sing | 1.53Å | 1.51Å | |
| C39 | C40 | sing | 1.53Å | 1.50Å | |
| C40 | C41 | sing | 1.53Å | 1.51Å | |
| O42 | C43 | sing | 1.43Å | 1.47Å | |
| C43 | C49 | sing | 1.51Å | 1.55Å | |
| O44 | C49 | doub | 1.21Å | 1.23Å | |
| N45 | C46 | sing | 1.47Å | 1.46Å | |
| N45 | C49 | sing | 1.35Å | 1.33Å | |
| C46 | C47 | sing | 1.53Å | 1.49Å | |
| C46 | C48 | sing | 1.53Å | 1.49Å | |
| C47 | C48 | sing | 1.53Å | 1.49Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C15 | H15B | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C16 | H16B | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C17 | H17B | sing | 1.09Å | 1.10Å | |
| N18 | HN18 | sing | 0.97Å | 1.00Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C21 | H21B | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C22 | H22B | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C23 | H23B | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C32 | H32B | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| C33 | H33B | sing | 1.09Å | 1.10Å | |
| N36 | HN36 | sing | 0.97Å | 1.00Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C38 | H38A | sing | 1.09Å | 1.10Å | |
| C39 | H39 | sing | 1.09Å | 1.10Å | |
| C39 | H39A | sing | 1.09Å | 1.10Å | |
| C40 | H40 | sing | 1.09Å | 1.10Å | |
| C40 | H40A | sing | 1.09Å | 1.10Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| C41 | H41A | sing | 1.09Å | 1.10Å | |
| C41 | H41B | sing | 1.09Å | 1.10Å | |
| O42 | HO42 | sing | 0.97Å | 0.95Å | |
| C43 | H43 | sing | 1.09Å | 1.10Å | |
| N45 | HN45 | sing | 0.97Å | 1.00Å | |
| C46 | H46 | sing | 1.09Å | 1.10Å | |
| C47 | H47 | sing | 1.09Å | 1.10Å | |
| C47 | H47A | sing | 1.09Å | 1.10Å | |
| C48 | H48 | sing | 1.09Å | 1.10Å | |
| C48 | H48A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C1 | N3 | 123.0° | 120.0° |
| O2 | C1 | N18 | 122.4° | 119.9° |
| N3 | C1 | N18 | 114.5° | 120.0° |
| C1 | N3 | C4 | 127.4° | 120.0° |
| C1 | N3 | HN3 | 116.3° | 120.0° |
| C1 | N18 | C19 | 121.6° | 120.1° |
| C1 | N18 | HN18 | 119.2° | 120.0° |
| N3 | C4 | C5 | 115.3° | 109.5° |
| N3 | C4 | C6 | 108.3° | 109.5° |
| N3 | C4 | C10 | 107.2° | 109.4° |
| C4 | N3 | HN3 | 116.3° | 120.0° |
| C5 | C4 | C6 | 108.2° | 109.5° |
| C5 | C4 | C10 | 108.8° | 109.4° |
| C4 | C5 | C7 | 109.4° | 109.4° |
| C4 | C5 | H5 | 109.5° | 109.5° |
| C4 | C5 | H5A | 109.5° | 109.5° |
| C6 | C4 | C10 | 108.9° | 109.5° |
| C4 | C6 | C8 | 110.5° | 109.4° |
| C4 | C6 | H6 | 109.1° | 109.4° |
| C4 | C6 | H6A | 109.2° | 109.5° |
| C4 | C10 | S11 | 118.0° | 109.5° |
| C4 | C10 | H10 | 106.7° | 109.5° |
| C4 | C10 | H10A | 106.7° | 109.5° |
| C5 | C7 | C9 | 113.5° | 109.4° |
| C7 | C5 | H5 | 109.5° | 109.5° |
| C7 | C5 | H5A | 109.5° | 109.4° |
| C5 | C7 | H7 | 108.2° | 109.5° |
| C5 | C7 | H7A | 108.2° | 109.5° |
| C6 | C8 | C9 | 108.4° | 109.5° |
| C8 | C6 | H6 | 109.2° | 109.5° |
| C8 | C6 | H6A | 109.1° | 109.4° |
| C6 | C8 | H8 | 109.9° | 109.5° |
| C6 | C8 | H8A | 109.8° | 109.5° |
| C7 | C9 | C8 | 110.8° | 109.4° |
| C9 | C7 | H7 | 108.1° | 109.4° |
| C9 | C7 | H7A | 108.1° | 109.5° |
| C7 | C9 | H9 | 109.0° | 109.5° |
| C7 | C9 | H9A | 109.0° | 109.5° |
| C9 | C8 | H8 | 109.8° | 109.5° |
| C9 | C8 | H8A | 109.8° | 109.4° |
| C8 | C9 | H9 | 109.0° | 109.5° |
| C8 | C9 | H9A | 109.0° | 109.4° |
| C10 | S11 | O12 | 106.2° | 108.6° |
| C10 | S11 | O13 | 105.3° | 108.5° |
| C10 | S11 | C14 | 106.7° | 101.9° |
| S11 | C10 | H10 | 106.7° | 109.5° |
| S11 | C10 | H10A | 106.7° | 109.4° |
| O12 | S11 | O13 | 117.2° | 119.2° |
| O12 | S11 | C14 | 109.8° | 108.6° |
| O13 | S11 | C14 | 111.0° | 108.6° |
| S11 | C14 | C15 | 110.1° | 109.4° |
| S11 | C14 | C16 | 111.5° | 109.4° |
| S11 | C14 | C17 | 107.8° | 109.5° |
| C15 | C14 | C16 | 109.3° | 109.5° |
| C15 | C14 | C17 | 109.0° | 109.5° |
| C14 | C15 | H15 | 109.5° | 109.4° |
| C14 | C15 | H15A | 109.5° | 109.4° |
| C14 | C15 | H15B | 109.4° | 109.5° |
| C16 | C14 | C17 | 109.2° | 109.5° |
| C14 | C16 | H16 | 109.5° | 109.4° |
| C14 | C16 | H16A | 109.5° | 109.5° |
| C14 | C16 | H16B | 109.4° | 109.5° |
| C14 | C17 | H17 | 109.5° | 109.5° |
| C14 | C17 | H17A | 109.4° | 109.5° |
| C14 | C17 | H17B | 109.4° | 109.4° |
| N18 | C19 | C20 | 112.2° | 109.5° |
| N18 | C19 | C24 | 108.5° | 109.5° |
| C19 | N18 | HN18 | 119.2° | 120.0° |
| N18 | C19 | H19 | 109.1° | 109.4° |
| C20 | C19 | C24 | 111.7° | 109.5° |
| C19 | C20 | C21 | 108.1° | 109.5° |
| C19 | C20 | C22 | 109.8° | 109.5° |
| C19 | C20 | C23 | 111.3° | 109.5° |
| C20 | C19 | H19 | 105.7° | 109.5° |
| C19 | C24 | O25 | 120.4° | 120.0° |
| C19 | C24 | N26 | 117.3° | 120.0° |
| C24 | C19 | H19 | 109.6° | 109.4° |
| C21 | C20 | C22 | 109.9° | 109.4° |
| C21 | C20 | C23 | 111.0° | 109.4° |
| C20 | C21 | H21 | 109.5° | 109.5° |
| C20 | C21 | H21A | 109.5° | 109.5° |
| C20 | C21 | H21B | 109.5° | 109.5° |
| C22 | C20 | C23 | 106.7° | 109.5° |
| C20 | C22 | H22 | 109.5° | 109.5° |
| C20 | C22 | H22A | 109.5° | 109.5° |
| C20 | C22 | H22B | 109.4° | 109.5° |
| C20 | C23 | H23 | 109.5° | 109.4° |
| C20 | C23 | H23A | 109.5° | 109.5° |
| C20 | C23 | H23B | 109.4° | 109.4° |
| O25 | C24 | N26 | 122.2° | 120.0° |
| C24 | N26 | C27 | 127.7° | 127.8° |
| C24 | N26 | C28 | 120.8° | 127.8° |
| C27 | N26 | C28 | 111.5° | 104.4° |
| N26 | C27 | C30 | 104.8° | 104.6° |
| N26 | C27 | H27 | 111.0° | 110.4° |
| N26 | C27 | H27A | 111.1° | 110.4° |
| N26 | C28 | C29 | 105.5° | 104.6° |
| N26 | C28 | C34 | 111.5° | 110.4° |
| N26 | C28 | H28 | 113.0° | 110.4° |
| C27 | C30 | C29 | 106.8° | 104.9° |
| C27 | C30 | C31 | 129.3° | 118.1° |
| C30 | C27 | H27 | 111.0° | 110.5° |
| C30 | C27 | H27A | 111.0° | 110.4° |
| C27 | C30 | H30 | 93.1° | 117.6° |
| C29 | C28 | C34 | 115.2° | 110.4° |
| C28 | C29 | C30 | 109.1° | 104.8° |
| C28 | C29 | C31 | 120.9° | 118.1° |
| C29 | C28 | H28 | 109.1° | 110.3° |
| C28 | C29 | H29 | 96.0° | 117.6° |
| C28 | C34 | O35 | 121.0° | 120.0° |
| C28 | C34 | N36 | 115.6° | 120.0° |
| C34 | C28 | H28 | 102.8° | 110.5° |
| C30 | C29 | C31 | 60.6° | 59.9° |
| C29 | C30 | C31 | 61.0° | 59.4° |
| C30 | C29 | H29 | 140.1° | 121.8° |
| C29 | C30 | H30 | 145.1° | 121.8° |
| C29 | C31 | C30 | 58.4° | 60.7° |
| C29 | C31 | C32 | 116.5° | 117.5° |
| C29 | C31 | C33 | 121.4° | 117.5° |
| C31 | C29 | H29 | 130.2° | 120.3° |
| C30 | C31 | C32 | 119.7° | 117.5° |
| C30 | C31 | C33 | 115.1° | 117.3° |
| C31 | C30 | H30 | 125.7° | 120.4° |
| C32 | C31 | C33 | 114.6° | 115.5° |
| C31 | C32 | H32 | 109.5° | 109.5° |
| C31 | C32 | H32A | 109.5° | 109.5° |
| C31 | C32 | H32B | 109.4° | 109.4° |
| C31 | C33 | H33 | 109.5° | 109.4° |
| C31 | C33 | H33A | 109.4° | 109.5° |
| C31 | C33 | H33B | 109.5° | 109.4° |
| O35 | C34 | N36 | 123.5° | 120.0° |
| C34 | N36 | C37 | 121.9° | 120.0° |
| C34 | N36 | HN36 | 119.1° | 120.0° |
| N36 | C37 | C38 | 110.0° | 109.5° |
| N36 | C37 | C43 | 113.8° | 109.5° |
| C37 | N36 | HN36 | 119.1° | 120.0° |
| N36 | C37 | H37 | 106.8° | 109.5° |
| C38 | C37 | C43 | 111.4° | 109.5° |
| C37 | C38 | C39 | 113.4° | 109.5° |
| C38 | C37 | H37 | 109.4° | 109.4° |
| C37 | C38 | H38 | 108.2° | 109.5° |
| C37 | C38 | H38A | 108.2° | 109.5° |
| C37 | C43 | O42 | 107.4° | 109.5° |
| C37 | C43 | C49 | 105.1° | 109.5° |
| C43 | C37 | H37 | 105.3° | 109.4° |
| C37 | C43 | H43 | 112.7° | 109.5° |
| C38 | C39 | C40 | 111.0° | 109.5° |
| C39 | C38 | H38 | 108.2° | 109.4° |
| C39 | C38 | H38A | 108.2° | 109.5° |
| C38 | C39 | H39 | 109.0° | 109.5° |
| C38 | C39 | H39A | 109.0° | 109.5° |
| C39 | C40 | C41 | 106.3° | 109.5° |
| C40 | C39 | H39 | 109.0° | 109.5° |
| C40 | C39 | H39A | 109.0° | 109.5° |
| C39 | C40 | H40 | 110.6° | 109.5° |
| C39 | C40 | H40A | 110.5° | 109.4° |
| C41 | C40 | H40 | 110.5° | 109.5° |
| C41 | C40 | H40A | 110.6° | 109.5° |
| C40 | C41 | H41 | 109.5° | 109.5° |
| C40 | C41 | H41A | 109.5° | 109.5° |
| C40 | C41 | H41B | 109.5° | 109.5° |
| O42 | C43 | C49 | 106.6° | 109.5° |
| C43 | O42 | HO42 | 109.5° | 113.9° |
| O42 | C43 | H43 | 111.2° | 109.4° |
| C43 | C49 | O44 | 117.4° | 120.0° |
| C43 | C49 | N45 | 120.1° | 120.0° |
| C49 | C43 | H43 | 113.3° | 109.5° |
| O44 | C49 | N45 | 122.5° | 120.0° |
| C46 | N45 | C49 | 122.0° | 120.0° |
| N45 | C46 | C47 | 118.5° | 117.5° |
| N45 | C46 | C48 | 121.4° | 117.5° |
| C46 | N45 | HN45 | 119.0° | 119.9° |
| N45 | C46 | H46 | 90.1° | 115.6° |
| C49 | N45 | HN45 | 119.0° | 120.1° |
| C47 | C46 | C48 | 59.8° | 60.0° |
| C46 | C47 | C48 | 60.1° | 60.0° |
| C47 | C46 | H46 | 136.3° | 117.4° |
| C46 | C47 | H47 | 130.8° | 117.5° |
| C46 | C47 | H47A | 130.8° | 117.5° |
| C46 | C48 | C47 | 60.1° | 60.0° |
| C48 | C46 | H46 | 133.9° | 117.5° |
| C46 | C48 | H48 | 130.9° | 117.5° |
| C46 | C48 | H48A | 130.9° | 117.5° |
| C48 | C47 | H47 | 130.8° | 117.5° |
| C48 | C47 | H47A | 130.8° | 117.5° |
| C47 | C48 | H48 | 130.9° | 117.4° |
| C47 | C48 | H48A | 130.8° | 117.5° |
| H5 | C5 | H5A | 109.4° | 109.5° |
| H6 | C6 | H6A | 109.8° | 109.5° |
| H7 | C7 | H7A | 110.8° | 109.5° |
| H8 | C8 | H8A | 109.1° | 109.5° |
| H9 | C9 | H9A | 109.9° | 109.5° |
| H10 | C10 | H10A | 112.1° | 109.4° |
| H15 | C15 | H15A | 109.4° | 109.5° |
| H15 | C15 | H15B | 109.5° | 109.5° |
| H15A | C15 | H15B | 109.5° | 109.5° |
| H16 | C16 | H16A | 109.5° | 109.4° |
| H16 | C16 | H16B | 109.5° | 109.5° |
| H16A | C16 | H16B | 109.5° | 109.5° |
| H17 | C17 | H17A | 109.5° | 109.5° |
| H17 | C17 | H17B | 109.5° | 109.4° |
| H17A | C17 | H17B | 109.5° | 109.5° |
| H21 | C21 | H21A | 109.5° | 109.4° |
| H21 | C21 | H21B | 109.5° | 109.4° |
| H21A | C21 | H21B | 109.5° | 109.5° |
| H22 | C22 | H22A | 109.4° | 109.5° |
| H22 | C22 | H22B | 109.5° | 109.4° |
| H22A | C22 | H22B | 109.5° | 109.5° |
| H23 | C23 | H23A | 109.4° | 109.5° |
| H23 | C23 | H23B | 109.5° | 109.4° |
| H23A | C23 | H23B | 109.5° | 109.5° |
| H27 | C27 | H27A | 107.9° | 110.5° |
| H32 | C32 | H32A | 109.5° | 109.5° |
| H32 | C32 | H32B | 109.5° | 109.4° |
| H32A | C32 | H32B | 109.5° | 109.4° |
| H33 | C33 | H33A | 109.5° | 109.5° |
| H33 | C33 | H33B | 109.5° | 109.5° |
| H33A | C33 | H33B | 109.5° | 109.5° |
| H38 | C38 | H38A | 110.7° | 109.5° |
| H39 | C39 | H39A | 110.0° | 109.5° |
| H40 | C40 | H40A | 108.4° | 109.4° |
| H41 | C41 | H41A | 109.5° | 109.5° |
| H41 | C41 | H41B | 109.5° | 109.5° |
| H41A | C41 | H41B | 109.5° | 109.4° |
| H47 | C47 | H47A | 81.9° | 115.6° |
| H48 | C48 | H48A | 81.9° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C1 | N3 | N18 | 179.2° | 179.9° |
| O2 | C1 | N3 | C4 | 0.4° | 4.6° |
| O2 | C1 | N18 | C19 | 1.4° | 4.6° |
| O2 | C1 | N3 | HN3 | 179.6° | 175.2° |
| O2 | C1 | N18 | HN18 | 178.6° | 175.3° |
| C1 | N3 | C4 | HN3 | 180.0° | 179.9° |
| C1 | N3 | C4 | C5 | 37.6° | 57.8° |
| C1 | N3 | C4 | C6 | 159.0° | 177.8° |
| C1 | N3 | C4 | C10 | 83.6° | 62.2° |
| N3 | C1 | N18 | C19 | 179.4° | 175.5° |
| N3 | C1 | N18 | HN18 | 0.6° | 4.5° |
| N18 | C1 | N3 | C4 | 179.7° | 175.5° |
| C1 | N18 | C19 | HN18 | 180.0° | 180.0° |
| C1 | N18 | C19 | C20 | 136.1° | 90.5° |
| C1 | N18 | C19 | C24 | 99.9° | 149.4° |
| N18 | C1 | N3 | HN3 | 0.3° | 4.6° |
| C1 | N18 | C19 | H19 | 19.4° | 29.5° |
| N3 | C4 | C5 | C6 | 121.5° | 120.1° |
| N3 | C4 | C5 | C10 | 120.4° | 120.0° |
| N3 | C4 | C6 | C10 | 116.2° | 120.0° |
| N3 | C4 | C5 | C7 | 65.8° | 60.0° |
| N3 | C4 | C6 | C8 | 65.2° | 60.0° |
| N3 | C4 | C10 | S11 | 58.5° | 60.0° |
| N3 | C4 | C5 | H5 | 174.2° | 180.0° |
| N3 | C4 | C5 | H5A | 54.2° | 59.9° |
| N3 | C4 | C6 | H6 | 54.8° | 59.9° |
| N3 | C4 | C6 | H6A | 174.8° | 180.0° |
| N3 | C4 | C10 | H10 | 61.5° | 60.0° |
| N3 | C4 | C10 | H10A | 178.5° | 180.0° |
| C5 | C4 | C6 | C10 | 118.1° | 120.0° |
| C4 | C5 | C7 | H5 | 120.0° | 120.0° |
| C4 | C5 | C7 | H5A | 120.0° | 120.0° |
| C5 | C4 | C6 | C8 | 60.5° | 60.0° |
| C4 | C5 | C7 | C9 | 55.5° | 60.0° |
| C5 | C4 | C10 | S11 | 176.2° | 180.0° |
| C5 | C4 | N3 | HN3 | 142.4° | 122.1° |
| C4 | C5 | H5 | H5A | 120.0° | 120.1° |
| C5 | C4 | C6 | H6 | 179.5° | 180.0° |
| C5 | C4 | C6 | H6A | 59.5° | 59.9° |
| C4 | C5 | C7 | H7 | 175.5° | 180.0° |
| C4 | C5 | C7 | H7A | 64.4° | 60.0° |
| C5 | C4 | C10 | H10 | 63.8° | 60.0° |
| C5 | C4 | C10 | H10A | 56.2° | 60.0° |
| C6 | C4 | C5 | C7 | 55.7° | 60.1° |
| C4 | C6 | C8 | H6 | 120.0° | 119.9° |
| C4 | C6 | C8 | H6A | 120.0° | 120.0° |
| C4 | C6 | C8 | C9 | 61.8° | 60.0° |
| C6 | C4 | C10 | S11 | 58.5° | 60.0° |
| C6 | C4 | N3 | HN3 | 20.9° | 2.0° |
| C6 | C4 | C5 | H5 | 64.3° | 60.0° |
| C6 | C4 | C5 | H5A | 175.7° | 180.0° |
| C4 | C6 | H6 | H6A | 119.6° | 120.1° |
| C4 | C6 | C8 | H8 | 58.2° | 60.0° |
| C4 | C6 | C8 | H8A | 178.2° | 180.0° |
| C6 | C4 | C10 | H10 | 178.5° | 180.0° |
| C6 | C4 | C10 | H10A | 61.5° | 60.0° |
| C10 | C4 | C5 | C7 | 173.9° | 180.0° |
| C10 | C4 | C6 | C8 | 178.6° | 180.0° |
| C4 | C10 | S11 | H10 | 120.0° | 120.1° |
| C4 | C10 | S11 | H10A | 120.0° | 120.0° |
| C4 | C10 | S11 | O12 | 42.7° | 65.5° |
| C4 | C10 | S11 | O13 | 82.3° | 65.5° |
| C4 | C10 | S11 | C14 | 159.7° | 180.0° |
| C10 | C4 | N3 | HN3 | 96.4° | 117.9° |
| C10 | C4 | C5 | H5 | 53.8° | 60.0° |
| C10 | C4 | C5 | H5A | 66.1° | 60.0° |
| C10 | C4 | C6 | H6 | 61.4° | 60.0° |
| C10 | C4 | C6 | H6A | 58.5° | 60.1° |
| C4 | C10 | H10 | H10A | 116.5° | 120.0° |
| C5 | C7 | C9 | H7 | 120.0° | 119.9° |
| C5 | C7 | C9 | H7A | 120.0° | 120.0° |
| C5 | C7 | C9 | C8 | 57.5° | 60.0° |
| C7 | C5 | H5 | H5A | 120.0° | 119.9° |
| C5 | C7 | H7 | H7A | 118.4° | 120.1° |
| C5 | C7 | C9 | H9 | 62.5° | 60.0° |
| C5 | C7 | C9 | H9A | 177.5° | 180.0° |
| C6 | C8 | C9 | C7 | 58.7° | 60.1° |
| C6 | C8 | C9 | H8 | 120.0° | 120.0° |
| C6 | C8 | C9 | H8A | 120.0° | 120.0° |
| C8 | C6 | H6 | H6A | 119.6° | 120.0° |
| C6 | C8 | H8 | H8A | 120.5° | 120.0° |
| C6 | C8 | C9 | H9 | 61.3° | 60.0° |
| C6 | C8 | C9 | H9A | 178.7° | 180.0° |
| C7 | C9 | C8 | H9 | 120.0° | 120.1° |
| C7 | C9 | C8 | H9A | 120.0° | 120.0° |
| C9 | C7 | C5 | H5 | 64.5° | 60.0° |
| C9 | C7 | C5 | H5A | 175.5° | 180.0° |
| C9 | C7 | H7 | H7A | 118.3° | 120.0° |
| C7 | C9 | C8 | H8 | 61.3° | 60.0° |
| C7 | C9 | C8 | H8A | 178.7° | 180.0° |
| C7 | C9 | H9 | H9A | 119.4° | 120.0° |
| C9 | C8 | C6 | H6 | 178.2° | 180.0° |
| C9 | C8 | C6 | H6A | 58.2° | 60.0° |
| C8 | C9 | C7 | H7 | 177.5° | 180.0° |
| C8 | C9 | C7 | H7A | 62.5° | 60.0° |
| C9 | C8 | H8 | H8A | 120.4° | 120.0° |
| C8 | C9 | H9 | H9A | 119.5° | 120.0° |
| C10 | S11 | O12 | O13 | 117.3° | 124.9° |
| C10 | S11 | O12 | C14 | 115.0° | 110.1° |
| C10 | S11 | O13 | C14 | 115.1° | 110.0° |
| C10 | S11 | C14 | C15 | 65.7° | 60.0° |
| C10 | S11 | C14 | C16 | 172.9° | 180.0° |
| C10 | S11 | C14 | C17 | 53.1° | 60.0° |
| S11 | C10 | H10 | H10A | 116.5° | 119.9° |
| O12 | S11 | O13 | C14 | 127.2° | 125.0° |
| O12 | S11 | C14 | C15 | 49.0° | 54.5° |
| O12 | S11 | C14 | C16 | 72.5° | 65.5° |
| O12 | S11 | C14 | C17 | 167.8° | 174.5° |
| O12 | S11 | C10 | H10 | 77.3° | 174.5° |
| O12 | S11 | C10 | H10A | 162.7° | 54.5° |
| O13 | S11 | C14 | C15 | 179.8° | 174.4° |
| O13 | S11 | C14 | C16 | 58.7° | 65.6° |
| O13 | S11 | C14 | C17 | 61.1° | 54.5° |
| O13 | S11 | C10 | H10 | 157.7° | 54.5° |
| O13 | S11 | C10 | H10A | 37.7° | 174.5° |
| S11 | C14 | C15 | C16 | 122.7° | 120.0° |
| S11 | C14 | C15 | C17 | 118.0° | 120.0° |
| S11 | C14 | C16 | C17 | 118.9° | 120.1° |
| C14 | S11 | C10 | H10 | 39.8° | 59.9° |
| C14 | S11 | C10 | H10A | 80.3° | 60.0° |
| S11 | C14 | C15 | H15 | 180.0° | 60.0° |
| S11 | C14 | C15 | H15A | 60.0° | 180.0° |
| S11 | C14 | C15 | H15B | 60.0° | 60.0° |
| S11 | C14 | C16 | H16 | 180.0° | 60.1° |
| S11 | C14 | C16 | H16A | 60.0° | 180.0° |
| S11 | C14 | C16 | H16B | 60.0° | 60.0° |
| S11 | C14 | C17 | H17 | 180.0° | 59.9° |
| S11 | C14 | C17 | H17A | 60.0° | 180.0° |
| S11 | C14 | C17 | H17B | 60.0° | 60.0° |
| C15 | C14 | C16 | C17 | 119.2° | 120.0° |
| C14 | C15 | H15 | H15A | 120.0° | 119.9° |
| C14 | C15 | H15 | H15B | 120.0° | 120.0° |
| C14 | C15 | H15A | H15B | 120.0° | 120.0° |
| C15 | C14 | C16 | H16 | 58.1° | 180.0° |
| C15 | C14 | C16 | H16A | 178.1° | 60.1° |
| C15 | C14 | C16 | H16B | 61.9° | 59.9° |
| C15 | C14 | C17 | H17 | 60.5° | 60.0° |
| C15 | C14 | C17 | H17A | 59.5° | 60.0° |
| C15 | C14 | C17 | H17B | 179.5° | 180.0° |
| C16 | C14 | C15 | H15 | 57.2° | 59.9° |
| C16 | C14 | C15 | H15A | 62.7° | 60.0° |
| C16 | C14 | C15 | H15B | 177.3° | 180.0° |
| C14 | C16 | H16 | H16A | 120.0° | 119.9° |
| C14 | C16 | H16 | H16B | 120.0° | 120.1° |
| C14 | C16 | H16A | H16B | 120.0° | 120.1° |
| C16 | C14 | C17 | H17 | 58.8° | 180.0° |
| C16 | C14 | C17 | H17A | 178.8° | 60.0° |
| C16 | C14 | C17 | H17B | 61.2° | 60.0° |
| C17 | C14 | C15 | H15 | 62.0° | 180.0° |
| C17 | C14 | C15 | H15A | 178.0° | 60.0° |
| C17 | C14 | C15 | H15B | 58.0° | 60.0° |
| C17 | C14 | C16 | H16 | 61.1° | 60.0° |
| C17 | C14 | C16 | H16A | 58.9° | 59.9° |
| C17 | C14 | C16 | H16B | 178.9° | 179.9° |
| C14 | C17 | H17 | H17A | 120.0° | 120.1° |
| C14 | C17 | H17 | H17B | 120.0° | 119.9° |
| C14 | C17 | H17A | H17B | 120.0° | 120.0° |
| N18 | C19 | C20 | C24 | 122.2° | 120.1° |
| N18 | C19 | C20 | H19 | 118.8° | 120.0° |
| N18 | C19 | C24 | H19 | 119.0° | 119.9° |
| N18 | C19 | C20 | C21 | 174.1° | 58.4° |
| N18 | C19 | C20 | C22 | 66.0° | 178.4° |
| N18 | C19 | C20 | C23 | 52.0° | 61.5° |
| N18 | C19 | C24 | O25 | 62.4° | 28.6° |
| N18 | C19 | C24 | N26 | 113.9° | 151.4° |
| C20 | C19 | C24 | H19 | 116.8° | 120.0° |
| C19 | C20 | C21 | C22 | 119.8° | 120.0° |
| C19 | C20 | C21 | C23 | 122.3° | 120.0° |
| C19 | C20 | C22 | C23 | 120.8° | 120.1° |
| C20 | C19 | C24 | O25 | 61.9° | 91.5° |
| C20 | C19 | C24 | N26 | 121.8° | 88.5° |
| C20 | C19 | N18 | HN18 | 43.9° | 89.5° |
| C19 | C20 | C21 | H21 | 180.0° | 60.0° |
| C19 | C20 | C21 | H21A | 60.0° | 180.0° |
| C19 | C20 | C21 | H21B | 60.0° | 60.0° |
| C19 | C20 | C22 | H22 | 180.0° | 62.0° |
| C19 | C20 | C22 | H22A | 60.0° | 178.0° |
| C19 | C20 | C22 | H22B | 60.0° | 57.9° |
| C19 | C20 | C23 | H23 | 180.0° | 65.5° |
| C19 | C20 | C23 | H23A | 60.0° | 174.4° |
| C19 | C20 | C23 | H23B | 60.0° | 54.4° |
| C24 | C19 | C20 | C21 | 52.0° | 61.6° |
| C24 | C19 | C20 | C22 | 171.8° | 58.4° |
| C24 | C19 | C20 | C23 | 70.2° | 178.4° |
| C19 | C24 | O25 | N26 | 176.1° | 180.0° |
| C19 | C24 | N26 | C27 | 0.2° | 4.3° |
| C19 | C24 | N26 | C28 | 180.0° | 176.0° |
| C24 | C19 | N18 | HN18 | 80.1° | 30.6° |
| C21 | C20 | C22 | C23 | 120.5° | 119.9° |
| C21 | C20 | C19 | H19 | 67.1° | 178.4° |
| C20 | C21 | H21 | H21A | 120.0° | 120.0° |
| C20 | C21 | H21 | H21B | 120.0° | 120.0° |
| C20 | C21 | H21A | H21B | 120.0° | 120.1° |
| C21 | C20 | C22 | H22 | 61.2° | 178.0° |
| C21 | C20 | C22 | H22A | 58.8° | 58.0° |
| C21 | C20 | C22 | H22B | 178.8° | 62.1° |
| C21 | C20 | C23 | H23 | 59.5° | 54.4° |
| C21 | C20 | C23 | H23A | 179.5° | 65.6° |
| C21 | C20 | C23 | H23B | 60.4° | 174.3° |
| C22 | C20 | C19 | H19 | 52.8° | 61.6° |
| C22 | C20 | C21 | H21 | 60.2° | 60.0° |
| C22 | C20 | C21 | H21A | 179.9° | 60.0° |
| C22 | C20 | C21 | H21B | 59.8° | 180.0° |
| C20 | C22 | H22 | H22A | 120.0° | 120.0° |
| C20 | C22 | H22 | H22B | 120.0° | 120.0° |
| C20 | C22 | H22A | H22B | 120.0° | 120.1° |
| C22 | C20 | C23 | H23 | 60.2° | 174.4° |
| C22 | C20 | C23 | H23A | 59.8° | 54.3° |
| C22 | C20 | C23 | H23B | 179.8° | 65.7° |
| C23 | C20 | C19 | H19 | 170.7° | 58.5° |
| C23 | C20 | C21 | H21 | 57.7° | 180.0° |
| C23 | C20 | C21 | H21A | 62.3° | 60.0° |
| C23 | C20 | C21 | H21B | 177.7° | 60.1° |
| C23 | C20 | C22 | H22 | 59.3° | 58.1° |
| C23 | C20 | C22 | H22A | 179.2° | 61.9° |
| C23 | C20 | C22 | H22B | 60.8° | 178.0° |
| C20 | C23 | H23 | H23A | 120.0° | 120.0° |
| C20 | C23 | H23 | H23B | 120.0° | 119.9° |
| C20 | C23 | H23A | H23B | 120.0° | 120.0° |
| O25 | C24 | N26 | C27 | 176.4° | 175.7° |
| O25 | C24 | N26 | C28 | 3.7° | 4.0° |
| O25 | C24 | C19 | H19 | 178.6° | 148.6° |
| C24 | N26 | C27 | C28 | 179.8° | 179.8° |
| C24 | N26 | C27 | C30 | 165.9° | 140.4° |
| C24 | N26 | C28 | C29 | 172.4° | 140.4° |
| C24 | N26 | C28 | C34 | 61.9° | 100.8° |
| N26 | C24 | C19 | H19 | 5.1° | 31.4° |
| C24 | N26 | C27 | H27 | 45.9° | 21.6° |
| C24 | N26 | C27 | H27A | 74.1° | 100.8° |
| C24 | N26 | C28 | H28 | 53.3° | 21.7° |
| N26 | C27 | C30 | H27 | 120.0° | 118.8° |
| N26 | C27 | C30 | H27A | 120.0° | 118.7° |
| C27 | N26 | C28 | C29 | 7.8° | 39.9° |
| C27 | N26 | C28 | C34 | 117.9° | 78.9° |
| N26 | C27 | C30 | C29 | 14.9° | 24.0° |
| N26 | C27 | C30 | C31 | 51.1° | 39.0° |
| N26 | C27 | H27 | H27A | 121.9° | 122.3° |
| C27 | N26 | C28 | H28 | 126.9° | 158.6° |
| N26 | C27 | C30 | H30 | 165.8° | 162.9° |
| C28 | N26 | C27 | C30 | 14.2° | 39.8° |
| N26 | C28 | C29 | C34 | 123.4° | 118.8° |
| N26 | C28 | C29 | H28 | 121.7° | 118.8° |
| N26 | C28 | C34 | H28 | 121.3° | 122.5° |
| N26 | C28 | C29 | C30 | 2.1° | 24.0° |
| N26 | C28 | C29 | C31 | 68.6° | 39.4° |
| N26 | C28 | C34 | O35 | 64.6° | 18.5° |
| N26 | C28 | C34 | N36 | 114.2° | 161.5° |
| C28 | N26 | C27 | H27 | 134.2° | 158.7° |
| C28 | N26 | C27 | H27A | 105.8° | 78.9° |
| N26 | C28 | C29 | H29 | 146.4° | 162.9° |
| C27 | C30 | C29 | C28 | 10.8° | 0.0° |
| C27 | C30 | C29 | C31 | 126.1° | 114.2° |
| C27 | C30 | C29 | H30 | 122.1° | 136.8° |
| C27 | C30 | C31 | H30 | 132.4° | 157.5° |
| C27 | C30 | C31 | C32 | 167.0° | 161.0° |
| C27 | C30 | C31 | C33 | 24.3° | 16.5° |
| C30 | C27 | H27 | H27A | 121.9° | 122.4° |
| C27 | C30 | C29 | H29 | 115.2° | 136.8° |
| C29 | C28 | C34 | H28 | 118.6° | 122.3° |
| C28 | C29 | C30 | C31 | 115.3° | 114.2° |
| C28 | C29 | C30 | H29 | 126.0° | 136.7° |
| C28 | C29 | C31 | H29 | 131.6° | 157.1° |
| C28 | C29 | C31 | C32 | 154.1° | 160.8° |
| C28 | C29 | C31 | C33 | 6.2° | 16.1° |
| C29 | C28 | C34 | O35 | 55.5° | 96.7° |
| C29 | C28 | C34 | N36 | 125.6° | 83.3° |
| C28 | C29 | C30 | H30 | 132.8° | 136.8° |
| C34 | C28 | C29 | C30 | 125.5° | 94.8° |
| C34 | C28 | C29 | C31 | 168.0° | 158.2° |
| C28 | C34 | O35 | N36 | 178.7° | 179.9° |
| C28 | C34 | N36 | C37 | 179.2° | 180.0° |
| C34 | C28 | C29 | H29 | 23.0° | 44.1° |
| C28 | C34 | N36 | HN36 | 0.8° | 0.0° |
| C30 | C29 | C31 | H29 | 132.6° | 111.5° |
| C29 | C30 | C31 | H30 | 139.2° | 111.3° |
| C30 | C29 | C31 | C32 | 110.0° | 107.7° |
| C30 | C29 | C31 | C33 | 102.0° | 107.6° |
| C29 | C30 | C27 | H27 | 134.9° | 142.8° |
| C29 | C30 | C27 | H27A | 105.1° | 94.8° |
| C30 | C29 | C28 | H28 | 119.5° | 142.8° |
| C29 | C31 | C32 | C33 | 150.1° | 145.4° |
| C31 | C29 | C28 | H28 | 53.0° | 79.4° |
| C29 | C31 | C32 | H32 | 180.0° | 59.9° |
| C29 | C31 | C32 | H32A | 60.0° | 180.0° |
| C29 | C31 | C32 | H32B | 60.0° | 60.0° |
| C29 | C31 | C33 | H33 | 180.0° | 60.0° |
| C29 | C31 | C33 | H33A | 60.0° | 180.0° |
| C29 | C31 | C33 | H33B | 60.0° | 60.0° |
| C30 | C31 | C32 | C33 | 142.8° | 145.2° |
| C31 | C30 | C27 | H27 | 68.9° | 79.8° |
| C31 | C30 | C27 | H27A | 171.1° | 157.7° |
| C30 | C31 | C32 | H32 | 113.0° | 129.4° |
| C30 | C31 | C32 | H32A | 7.0° | 110.6° |
| C30 | C31 | C32 | H32B | 127.0° | 9.4° |
| C30 | C31 | C33 | H33 | 113.1° | 9.4° |
| C30 | C31 | C33 | H33A | 126.9° | 110.6° |
| C30 | C31 | C33 | H33B | 6.9° | 129.3° |
| C32 | C31 | C29 | H29 | 22.5° | 3.8° |
| C32 | C31 | C30 | H30 | 34.6° | 3.5° |
| C31 | C32 | H32 | H32A | 120.0° | 120.1° |
| C31 | C32 | H32 | H32B | 120.0° | 119.9° |
| C31 | C32 | H32A | H32B | 120.0° | 120.0° |
| C32 | C31 | C33 | H33 | 31.5° | 154.6° |
| C32 | C31 | C33 | H33A | 88.5° | 34.6° |
| C32 | C31 | C33 | H33B | 151.5° | 85.4° |
| C33 | C31 | C29 | H29 | 125.5° | 140.9° |
| C33 | C31 | C30 | H30 | 108.1° | 141.0° |
| C33 | C31 | C32 | H32 | 29.9° | 85.5° |
| C33 | C31 | C32 | H32A | 149.9° | 34.6° |
| C33 | C31 | C32 | H32B | 90.2° | 154.6° |
| C31 | C33 | H33 | H33A | 120.0° | 120.0° |
| C31 | C33 | H33 | H33B | 120.0° | 119.9° |
| C31 | C33 | H33A | H33B | 120.0° | 120.0° |
| O35 | C34 | N36 | C37 | 0.4° | 0.1° |
| O35 | C34 | C28 | H28 | 174.1° | 141.0° |
| O35 | C34 | N36 | HN36 | 179.5° | 180.0° |
| C34 | N36 | C37 | HN36 | 180.0° | 180.0° |
| C34 | N36 | C37 | C38 | 131.3° | 85.0° |
| C34 | N36 | C37 | C43 | 103.0° | 155.0° |
| N36 | C34 | C28 | H28 | 7.1° | 39.0° |
| C34 | N36 | C37 | H37 | 12.7° | 35.0° |
| N36 | C37 | C38 | C43 | 127.1° | 120.0° |
| N36 | C37 | C38 | H37 | 117.0° | 120.0° |
| N36 | C37 | C43 | H37 | 116.6° | 120.1° |
| N36 | C37 | C38 | C39 | 91.9° | 64.9° |
| N36 | C37 | C43 | O42 | 48.5° | 60.0° |
| N36 | C37 | C43 | C49 | 161.8° | 60.0° |
| N36 | C37 | C38 | H38 | 28.1° | 55.0° |
| N36 | C37 | C38 | H38A | 148.1° | 175.0° |
| N36 | C37 | C43 | H43 | 74.4° | 179.9° |
| C38 | C37 | C43 | H37 | 118.4° | 119.9° |
| C37 | C38 | C39 | H38 | 120.0° | 119.9° |
| C37 | C38 | C39 | H38A | 120.0° | 120.1° |
| C37 | C38 | C39 | C40 | 130.1° | 180.0° |
| C38 | C37 | C43 | O42 | 173.4° | 60.0° |
| C38 | C37 | C43 | C49 | 73.3° | 180.0° |
| C38 | C37 | N36 | HN36 | 48.7° | 95.0° |
| C37 | C38 | H38 | H38A | 118.4° | 120.1° |
| C37 | C38 | C39 | H39 | 109.9° | 60.1° |
| C37 | C38 | C39 | H39A | 10.1° | 59.9° |
| C38 | C37 | C43 | H43 | 50.6° | 59.9° |
| C43 | C37 | C38 | C39 | 141.1° | 175.0° |
| C37 | C43 | O42 | C49 | 112.3° | 120.0° |
| C37 | C43 | O42 | H43 | 123.7° | 120.0° |
| C37 | C43 | C49 | H43 | 123.4° | 120.1° |
| C37 | C43 | C49 | O44 | 73.9° | 115.0° |
| C37 | C43 | C49 | N45 | 106.0° | 65.0° |
| C43 | C37 | N36 | HN36 | 77.0° | 25.0° |
| C43 | C37 | C38 | H38 | 98.9° | 65.1° |
| C43 | C37 | C38 | H38A | 21.1° | 55.0° |
| C37 | C43 | O42 | HO42 | 180.0° | 60.0° |
| C38 | C39 | C40 | H39 | 120.0° | 120.0° |
| C38 | C39 | C40 | H39A | 120.0° | 120.0° |
| C38 | C39 | C40 | C41 | 154.4° | 179.9° |
| C39 | C38 | C37 | H37 | 25.1° | 55.1° |
| C39 | C38 | H38 | H38A | 118.4° | 120.0° |
| C38 | C39 | H39 | H39A | 119.4° | 120.0° |
| C38 | C39 | C40 | H40 | 85.6° | 60.0° |
| C38 | C39 | C40 | H40A | 34.4° | 59.9° |
| C39 | C40 | C41 | H40 | 120.0° | 120.1° |
| C39 | C40 | C41 | H40A | 120.0° | 120.0° |
| C40 | C39 | C38 | H38 | 10.1° | 60.0° |
| C40 | C39 | C38 | H38A | 109.9° | 60.0° |
| C40 | C39 | H39 | H39A | 119.4° | 120.0° |
| C39 | C40 | H40 | H40A | 121.3° | 120.0° |
| C39 | C40 | C41 | H41 | 180.0° | 60.0° |
| C39 | C40 | C41 | H41A | 60.0° | 60.1° |
| C39 | C40 | C41 | H41B | 60.0° | 180.0° |
| C41 | C40 | C39 | H39 | 34.4° | 60.0° |
| C41 | C40 | C39 | H39A | 85.6° | 60.0° |
| C41 | C40 | H40 | H40A | 121.3° | 120.0° |
| C40 | C41 | H41 | H41A | 120.0° | 120.0° |
| C40 | C41 | H41 | H41B | 120.0° | 120.1° |
| C40 | C41 | H41A | H41B | 120.0° | 120.0° |
| O42 | C43 | C49 | H43 | 122.7° | 119.9° |
| O42 | C43 | C49 | O44 | 172.3° | 5.0° |
| O42 | C43 | C49 | N45 | 7.9° | 175.0° |
| O42 | C43 | C37 | H37 | 68.1° | 179.9° |
| C43 | C49 | O44 | N45 | 179.8° | 180.0° |
| C43 | C49 | N45 | C46 | 117.4° | 180.0° |
| C49 | C43 | C37 | H37 | 45.2° | 60.1° |
| C49 | C43 | O42 | HO42 | 67.8° | 60.0° |
| C43 | C49 | N45 | HN45 | 62.6° | 0.0° |
| O44 | C49 | N45 | C46 | 62.4° | 0.0° |
| O44 | C49 | C43 | H43 | 49.6° | 125.0° |
| O44 | C49 | N45 | HN45 | 117.6° | 180.0° |
| C46 | N45 | C49 | HN45 | 180.0° | 180.0° |
| N45 | C46 | C47 | C48 | 111.7° | 107.5° |
| N45 | C46 | C47 | H46 | 124.8° | 145.0° |
| N45 | C46 | C48 | H46 | 126.1° | 145.1° |
| N45 | C46 | C47 | H47 | 8.3° | 0.0° |
| N45 | C46 | C47 | H47A | 128.3° | 145.0° |
| N45 | C46 | C48 | H48 | 133.0° | 145.0° |
| N45 | C46 | C48 | H48A | 13.0° | 0.0° |
| C49 | N45 | C46 | C47 | 119.5° | 155.0° |
| C49 | N45 | C46 | C48 | 49.3° | 136.4° |
| N45 | C49 | C43 | H43 | 130.6° | 55.1° |
| C49 | N45 | C46 | H46 | 95.0° | 9.3° |
| C47 | C46 | C48 | H46 | 127.0° | 107.4° |
| C46 | C47 | C48 | H47 | 120.0° | 107.4° |
| C46 | C47 | C48 | H47A | 120.0° | 107.5° |
| C47 | C46 | N45 | HN45 | 60.5° | 25.0° |
| C46 | C47 | H47 | H47A | 138.6° | 145.7° |
| C47 | C46 | C48 | H48 | 120.0° | 107.4° |
| C47 | C46 | C48 | H48A | 120.0° | 107.5° |
| C48 | C46 | N45 | HN45 | 130.6° | 43.6° |
| C46 | C48 | H48 | H48A | 138.6° | 145.7° |
| C48 | C47 | H47 | H47A | 138.6° | 145.7° |
| C47 | C48 | H48 | H48A | 138.5° | 145.7° |
| H5 | C5 | C7 | H7 | 55.5° | 59.9° |
| H5 | C5 | C7 | H7A | 175.5° | 180.0° |
| H5A | C5 | C7 | H7 | 64.5° | 60.0° |
| H5A | C5 | C7 | H7A | 55.6° | 60.0° |
| H6 | C6 | C8 | H8 | 61.8° | 59.9° |
| H6 | C6 | C8 | H8A | 58.2° | 60.1° |
| H6A | C6 | C8 | H8 | 178.2° | 180.0° |
| H6A | C6 | C8 | H8A | 61.8° | 60.0° |
| H7 | C7 | C9 | H9 | 57.5° | 60.0° |
| H7 | C7 | C9 | H9A | 62.5° | 60.1° |
| H7A | C7 | C9 | H9 | 177.5° | 180.0° |
| H7A | C7 | C9 | H9A | 57.6° | 60.0° |
| H8 | C8 | C9 | H9 | 178.7° | 180.0° |
| H8 | C8 | C9 | H9A | 58.7° | 60.0° |
| H8A | C8 | C9 | H9 | 58.7° | 60.0° |
| H8A | C8 | C9 | H9A | 61.3° | 60.0° |
| H15 | C15 | H15A | H15B | 120.0° | 120.1° |
| H16 | C16 | H16A | H16B | 120.0° | 120.0° |
| H17 | C17 | H17A | H17B | 120.0° | 120.0° |
| HN18 | N18 | C19 | H19 | 160.6° | 150.5° |
| H21 | C21 | H21A | H21B | 120.0° | 119.9° |
| H22 | C22 | H22A | H22B | 120.0° | 119.9° |
| H23 | C23 | H23A | H23B | 120.0° | 120.0° |
| H27 | C27 | C30 | H30 | 74.2° | 78.3° |
| H27A | C27 | C30 | H30 | 45.8° | 44.2° |
| H28 | C28 | C29 | H29 | 91.9° | 78.3° |
| H29 | C29 | C30 | H30 | 6.8° | 0.1° |
| H32 | C32 | H32A | H32B | 120.0° | 119.9° |
| H33 | C33 | H33A | H33B | 120.0° | 120.1° |
| HN36 | N36 | C37 | H37 | 167.3° | 145.0° |
| H37 | C37 | C38 | H38 | 145.2° | 175.0° |
| H37 | C37 | C38 | H38A | 94.9° | 65.0° |
| H37 | C37 | C43 | H43 | 169.0° | 60.0° |
| H38 | C38 | C39 | H39 | 130.1° | 180.0° |
| H38 | C38 | C39 | H39A | 109.9° | 60.0° |
| H38A | C38 | C39 | H39 | 10.1° | 60.0° |
| H38A | C38 | C39 | H39A | 130.1° | 180.0° |
| H39 | C39 | C40 | H40 | 154.4° | 180.0° |
| H39 | C39 | C40 | H40A | 85.6° | 60.1° |
| H39A | C39 | C40 | H40 | 34.4° | 60.0° |
| H39A | C39 | C40 | H40A | 154.4° | 180.0° |
| H40 | C40 | C41 | H41 | 60.0° | 179.9° |
| H40 | C40 | C41 | H41A | 180.0° | 60.0° |
| H40 | C40 | C41 | H41B | 60.0° | 59.9° |
| H40A | C40 | C41 | H41 | 60.0° | 60.0° |
| H40A | C40 | C41 | H41A | 60.0° | 180.0° |
| H40A | C40 | C41 | H41B | 180.0° | 60.0° |
| H41 | C41 | H41A | H41B | 120.0° | 120.0° |
| HO42 | O42 | C43 | H43 | 56.3° | 180.0° |
| HN45 | N45 | C46 | H46 | 85.0° | 170.7° |
| H46 | C46 | C47 | H47 | 116.6° | 145.0° |
| H46 | C46 | C47 | H47A | 3.5° | 0.0° |
| H46 | C46 | C48 | H48 | 7.0° | 0.0° |
| H46 | C46 | C48 | H48A | 113.0° | 145.1° |
| H47 | C47 | C48 | H48 | 120.0° | 145.1° |
| H47 | C47 | C48 | H48A | 0.0° | 0.0° |
| H47A | C47 | C48 | H48 | 0.0° | 0.0° |
| H47A | C47 | C48 | H48A | 120.0° | 145.0° |
