06Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N21 | C20 | sing | 1.46Å | 1.51Å | |
| N21 | C22 | sing | 1.33Å | 1.51Å | |
| O23 | C22 | doub | 1.21Å | 1.21Å | |
| C20 | C19 | sing | 1.53Å | 1.50Å | |
| C22 | C17 | sing | 1.50Å | 1.61Å | |
| C16 | C17 | sing | 1.53Å | 1.55Å | |
| C16 | C15 | sing | 1.53Å | 1.60Å | |
| O25 | C24 | sing | 1.43Å | 1.45Å | |
| C19 | C18 | sing | 1.53Å | 1.47Å | |
| C17 | C18 | sing | 1.53Å | 1.42Å | |
| C24 | C15 | sing | 1.53Å | 1.59Å | |
| C24 | C26 | sing | 1.51Å | 1.58Å | |
| C15 | N14 | sing | 1.46Å | 1.49Å | |
| N14 | C13 | sing | 1.35Å | 1.43Å | |
| C26 | N27 | sing | 1.35Å | 1.45Å | |
| C26 | O35 | doub | 1.21Å | 1.17Å | |
| N27 | C28 | sing | 1.46Å | 1.52Å | |
| O01 | C02 | doub | 1.22Å | 1.16Å | |
| O36 | C13 | doub | 1.21Å | 1.19Å | |
| C13 | C04 | sing | 1.51Å | 1.55Å | |
| C38 | C37 | doub | 1.36Å | 1.41Å | Aromatic |
| C38 | C39 | sing | 1.46Å | 1.45Å | Aromatic |
| C28 | C29 | sing | 1.51Å | 1.56Å | |
| C02 | C37 | sing | 1.47Å | 1.51Å | |
| C02 | N03 | sing | 1.35Å | 1.50Å | |
| C37 | O45 | sing | 1.35Å | 1.35Å | Aromatic |
| C40 | C39 | doub | 1.40Å | 1.43Å | Aromatic |
| C40 | C41 | sing | 1.37Å | 1.38Å | Aromatic |
| C39 | C44 | sing | 1.41Å | 1.42Å | Aromatic |
| C04 | N03 | sing | 1.47Å | 1.47Å | |
| C04 | C05 | sing | 1.53Å | 1.57Å | |
| C29 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C34 | sing | 1.38Å | 1.46Å | Aromatic |
| C41 | C42 | doub | 1.39Å | 1.44Å | Aromatic |
| O45 | C44 | sing | 1.35Å | 1.33Å | Aromatic |
| C30 | C31 | sing | 1.38Å | 1.41Å | Aromatic |
| C44 | C43 | doub | 1.39Å | 1.40Å | Aromatic |
| C05 | C06 | sing | 1.51Å | 1.57Å | |
| C34 | C33 | doub | 1.38Å | 1.40Å | Aromatic |
| C42 | C43 | sing | 1.38Å | 1.40Å | Aromatic |
| C07 | C06 | doub | 1.38Å | 1.40Å | Aromatic |
| C07 | C08 | sing | 1.38Å | 1.39Å | Aromatic |
| C31 | C32 | doub | 1.38Å | 1.46Å | Aromatic |
| C06 | C12 | sing | 1.38Å | 1.41Å | Aromatic |
| C08 | C09 | doub | 1.38Å | 1.44Å | Aromatic |
| C33 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C09 | C11 | sing | 1.38Å | 1.37Å | Aromatic |
| C09 | F10 | sing | 1.35Å | 1.35Å | |
| C04 | H1 | sing | 1.09Å | 1.10Å | |
| C05 | H2 | sing | 1.09Å | 1.10Å | |
| C05 | H3 | sing | 1.09Å | 1.10Å | |
| C07 | H4 | sing | 1.08Å | 1.08Å | |
| C08 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C28 | H19 | sing | 1.09Å | 1.10Å | |
| C28 | H20 | sing | 1.09Å | 1.10Å | |
| C30 | H21 | sing | 1.08Å | 1.08Å | |
| C31 | H22 | sing | 1.08Å | 1.08Å | |
| C32 | H23 | sing | 1.08Å | 1.08Å | |
| C33 | H24 | sing | 1.08Å | 1.08Å | |
| C34 | H25 | sing | 1.08Å | 1.08Å | |
| C38 | H26 | sing | 1.08Å | 1.08Å | |
| C40 | H27 | sing | 1.08Å | 1.08Å | |
| C41 | H28 | sing | 1.08Å | 1.08Å | |
| C42 | H29 | sing | 1.08Å | 1.08Å | |
| C43 | H30 | sing | 1.08Å | 1.08Å | |
| N03 | H31 | sing | 0.97Å | 1.00Å | |
| N14 | H32 | sing | 0.97Å | 1.00Å | |
| N21 | H33 | sing | 0.97Å | 1.00Å | |
| N27 | H34 | sing | 0.97Å | 1.00Å | |
| O25 | H35 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | N21 | C22 | 119.8° | 124.1° |
| N21 | C20 | C19 | 113.0° | 110.5° |
| N21 | C20 | H16 | 108.6° | 109.3° |
| N21 | C20 | H17 | 108.6° | 109.2° |
| C20 | N21 | H33 | 120.1° | 117.9° |
| N21 | C22 | O23 | 123.5° | 118.2° |
| N21 | C22 | C17 | 117.4° | 123.6° |
| C22 | N21 | H33 | 120.1° | 118.0° |
| O23 | C22 | C17 | 118.9° | 118.3° |
| C20 | C19 | C18 | 113.4° | 108.7° |
| C20 | C19 | H14 | 108.5° | 109.7° |
| C20 | C19 | H15 | 108.5° | 109.7° |
| C19 | C20 | H16 | 108.6° | 109.3° |
| C19 | C20 | H17 | 108.6° | 109.3° |
| C22 | C17 | C16 | 103.1° | 109.4° |
| C22 | C17 | C18 | 113.8° | 109.9° |
| C22 | C17 | H11 | 108.8° | 109.3° |
| C17 | C16 | C15 | 108.7° | 109.5° |
| C16 | C17 | C18 | 109.9° | 109.4° |
| C17 | C16 | H9 | 109.7° | 109.5° |
| C17 | C16 | H10 | 109.7° | 109.4° |
| C16 | C17 | H11 | 109.5° | 109.4° |
| C16 | C15 | C24 | 113.6° | 109.5° |
| C16 | C15 | N14 | 105.9° | 109.5° |
| C16 | C15 | H8 | 109.7° | 109.4° |
| C15 | C16 | H9 | 109.7° | 109.5° |
| C15 | C16 | H10 | 109.7° | 109.5° |
| O25 | C24 | C15 | 114.1° | 109.4° |
| O25 | C24 | C26 | 105.9° | 109.5° |
| O25 | C24 | H18 | 109.4° | 109.5° |
| C24 | O25 | H35 | 109.5° | 114.0° |
| C19 | C18 | C17 | 113.0° | 108.5° |
| C19 | C18 | H12 | 108.6° | 109.7° |
| C19 | C18 | H13 | 108.6° | 109.7° |
| C18 | C19 | H14 | 108.5° | 109.6° |
| C18 | C19 | H15 | 108.5° | 109.6° |
| C18 | C17 | H11 | 111.4° | 109.4° |
| C17 | C18 | H12 | 108.6° | 109.7° |
| C17 | C18 | H13 | 108.6° | 109.6° |
| C15 | C24 | C26 | 111.8° | 109.5° |
| C24 | C15 | N14 | 106.4° | 109.5° |
| C24 | C15 | H8 | 109.8° | 109.5° |
| C15 | C24 | H18 | 107.7° | 109.5° |
| C24 | C26 | N27 | 120.6° | 120.0° |
| C24 | C26 | O35 | 121.4° | 120.0° |
| C26 | C24 | H18 | 107.8° | 109.5° |
| C15 | N14 | C13 | 114.5° | 120.0° |
| N14 | C15 | H8 | 111.3° | 109.5° |
| C15 | N14 | H32 | 122.7° | 120.0° |
| N14 | C13 | O36 | 122.4° | 119.9° |
| N14 | C13 | C04 | 117.8° | 120.0° |
| C13 | N14 | H32 | 122.8° | 120.0° |
| N27 | C26 | O35 | 118.0° | 120.0° |
| C26 | N27 | C28 | 112.7° | 120.0° |
| C26 | N27 | H34 | 123.6° | 120.0° |
| N27 | C28 | C29 | 120.2° | 109.4° |
| N27 | C28 | H19 | 106.7° | 109.5° |
| N27 | C28 | H20 | 106.7° | 109.5° |
| C28 | N27 | H34 | 123.7° | 120.0° |
| O01 | C02 | C37 | 126.7° | 120.0° |
| O01 | C02 | N03 | 120.3° | 120.0° |
| O36 | C13 | C04 | 119.7° | 120.1° |
| C13 | C04 | N03 | 104.1° | 109.4° |
| C13 | C04 | C05 | 111.7° | 109.5° |
| C13 | C04 | H1 | 109.2° | 109.5° |
| C37 | C38 | C39 | 104.7° | 106.1° |
| C38 | C37 | C02 | 131.8° | 125.1° |
| C38 | C37 | O45 | 110.0° | 109.7° |
| C37 | C38 | H26 | 127.7° | 127.0° |
| C38 | C39 | C40 | 135.8° | 134.2° |
| C38 | C39 | C44 | 106.0° | 105.8° |
| C39 | C38 | H26 | 127.7° | 127.0° |
| C28 | C29 | C30 | 122.5° | 120.0° |
| C28 | C29 | C34 | 116.9° | 120.0° |
| C29 | C28 | H19 | 106.8° | 109.5° |
| C29 | C28 | H20 | 106.7° | 109.4° |
| C37 | C02 | N03 | 113.0° | 120.0° |
| C02 | C37 | O45 | 118.1° | 125.1° |
| C02 | N03 | C04 | 116.8° | 120.0° |
| C02 | N03 | H31 | 121.6° | 120.0° |
| C37 | O45 | C44 | 110.4° | 110.9° |
| C39 | C40 | C41 | 119.1° | 119.7° |
| C40 | C39 | C44 | 118.2° | 120.1° |
| C39 | C40 | H27 | 120.5° | 120.1° |
| C40 | C41 | C42 | 121.8° | 120.5° |
| C41 | C40 | H27 | 120.5° | 120.2° |
| C40 | C41 | H28 | 119.1° | 119.8° |
| C39 | C44 | O45 | 109.0° | 107.5° |
| C39 | C44 | C43 | 123.0° | 119.2° |
| N03 | C04 | C05 | 112.4° | 109.4° |
| N03 | C04 | H1 | 110.3° | 109.5° |
| C04 | N03 | H31 | 121.6° | 120.0° |
| C04 | C05 | C06 | 100.5° | 109.5° |
| C05 | C04 | H1 | 109.0° | 109.5° |
| C04 | C05 | H2 | 111.7° | 109.5° |
| C04 | C05 | H3 | 111.7° | 109.5° |
| C30 | C29 | C34 | 120.6° | 120.0° |
| C29 | C30 | C31 | 118.5° | 120.0° |
| C29 | C30 | H21 | 120.7° | 120.0° |
| C29 | C34 | C33 | 120.4° | 120.0° |
| C29 | C34 | H25 | 119.8° | 119.9° |
| C41 | C42 | C43 | 119.7° | 120.7° |
| C42 | C41 | H28 | 119.1° | 119.8° |
| C41 | C42 | H29 | 120.1° | 119.6° |
| O45 | C44 | C43 | 128.0° | 133.3° |
| C30 | C31 | C32 | 120.7° | 120.0° |
| C31 | C30 | H21 | 120.7° | 120.0° |
| C30 | C31 | H22 | 119.6° | 120.0° |
| C44 | C43 | C42 | 118.2° | 119.8° |
| C44 | C43 | H30 | 120.9° | 120.1° |
| C05 | C06 | C07 | 119.7° | 120.0° |
| C05 | C06 | C12 | 117.2° | 120.0° |
| C06 | C05 | H2 | 111.7° | 109.4° |
| C06 | C05 | H3 | 111.7° | 109.5° |
| C34 | C33 | C32 | 119.4° | 120.0° |
| C34 | C33 | H24 | 120.3° | 120.0° |
| C33 | C34 | H25 | 119.8° | 120.0° |
| C43 | C42 | H29 | 120.2° | 119.6° |
| C42 | C43 | H30 | 120.9° | 120.1° |
| C06 | C07 | C08 | 117.8° | 120.1° |
| C07 | C06 | C12 | 123.1° | 120.0° |
| C06 | C07 | H4 | 121.1° | 120.0° |
| C07 | C08 | C09 | 119.1° | 119.9° |
| C08 | C07 | H4 | 121.1° | 120.0° |
| C07 | C08 | H5 | 120.4° | 120.0° |
| C31 | C32 | C33 | 120.4° | 120.0° |
| C32 | C31 | H22 | 119.6° | 120.0° |
| C31 | C32 | H23 | 119.8° | 120.0° |
| C06 | C12 | C11 | 119.0° | 120.0° |
| C06 | C12 | H7 | 120.5° | 119.9° |
| C08 | C09 | C11 | 122.5° | 120.0° |
| C08 | C09 | F10 | 119.2° | 120.0° |
| C09 | C08 | H5 | 120.4° | 120.1° |
| C33 | C32 | H23 | 119.8° | 120.0° |
| C32 | C33 | H24 | 120.3° | 120.0° |
| C12 | C11 | C09 | 118.5° | 120.0° |
| C12 | C11 | H6 | 120.7° | 120.0° |
| C11 | C12 | H7 | 120.5° | 120.0° |
| C11 | C09 | F10 | 118.3° | 120.0° |
| C09 | C11 | H6 | 120.8° | 120.0° |
| H2 | C05 | H3 | 109.5° | 109.5° |
| H9 | C16 | H10 | 109.5° | 109.5° |
| H12 | C18 | H13 | 109.5° | 109.7° |
| H14 | C19 | H15 | 109.5° | 109.6° |
| H16 | C20 | H17 | 109.5° | 109.3° |
| H19 | C28 | H20 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | N21 | C22 | H33 | 180.0° | 179.9° |
| C20 | N21 | C22 | O23 | 178.9° | 177.8° |
| N21 | C20 | C19 | H16 | 120.5° | 120.2° |
| N21 | C20 | C19 | H17 | 120.5° | 120.2° |
| C20 | N21 | C22 | C17 | 3.3° | 2.1° |
| N21 | C20 | C19 | C18 | 48.4° | 50.7° |
| N21 | C20 | C19 | H14 | 72.2° | 170.4° |
| N21 | C20 | C19 | H15 | 169.0° | 69.1° |
| N21 | C20 | H16 | H17 | 118.4° | 119.4° |
| N21 | C22 | O23 | C17 | 175.6° | 179.9° |
| C22 | N21 | C20 | C19 | 18.6° | 18.9° |
| N21 | C22 | C17 | C16 | 135.8° | 137.6° |
| N21 | C22 | C17 | C18 | 16.9° | 17.5° |
| N21 | C22 | C17 | H11 | 108.0° | 102.6° |
| C22 | N21 | C20 | H16 | 139.1° | 101.3° |
| C22 | N21 | C20 | H17 | 102.0° | 139.2° |
| O23 | C22 | C17 | C16 | 48.3° | 42.3° |
| O23 | C22 | C17 | C18 | 167.3° | 162.4° |
| O23 | C22 | C17 | H11 | 67.9° | 77.5° |
| O23 | C22 | N21 | H33 | 1.1° | 2.3° |
| C20 | C19 | C18 | H14 | 120.6° | 119.8° |
| C20 | C19 | C18 | H15 | 120.6° | 119.9° |
| C20 | C19 | C18 | C17 | 65.0° | 67.5° |
| C20 | C19 | C18 | H12 | 174.5° | 52.3° |
| C20 | C19 | C18 | H13 | 55.5° | 172.7° |
| C20 | C19 | H14 | H15 | 118.2° | 120.5° |
| C19 | C20 | H16 | H17 | 118.4° | 119.6° |
| C19 | C20 | N21 | H33 | 161.5° | 161.0° |
| C22 | C17 | C16 | C18 | 121.6° | 120.4° |
| C22 | C17 | C16 | H11 | 115.7° | 119.7° |
| C22 | C17 | C16 | C15 | 175.7° | 67.4° |
| C22 | C17 | C18 | C19 | 46.5° | 48.9° |
| C22 | C17 | C18 | H11 | 123.5° | 120.0° |
| C22 | C17 | C16 | H9 | 64.4° | 52.6° |
| C22 | C17 | C16 | H10 | 55.9° | 172.6° |
| C22 | C17 | C18 | H12 | 167.0° | 70.9° |
| C22 | C17 | C18 | H13 | 74.0° | 168.7° |
| C17 | C22 | N21 | H33 | 176.7° | 177.8° |
| C17 | C16 | C15 | H9 | 119.9° | 120.1° |
| C17 | C16 | C15 | H10 | 119.9° | 119.9° |
| C16 | C17 | C18 | C19 | 161.4° | 169.0° |
| C16 | C17 | C18 | H11 | 121.5° | 119.9° |
| C17 | C16 | C15 | C24 | 179.6° | 70.1° |
| C17 | C16 | C15 | N14 | 64.1° | 169.8° |
| C17 | C16 | C15 | H8 | 56.2° | 49.9° |
| C17 | C16 | H9 | H10 | 120.4° | 120.0° |
| C16 | C17 | C18 | H12 | 78.0° | 49.3° |
| C16 | C17 | C18 | H13 | 40.9° | 71.2° |
| C16 | C15 | C24 | O25 | 57.5° | 50.2° |
| C15 | C16 | C17 | C18 | 62.6° | 172.2° |
| C16 | C15 | C24 | N14 | 116.1° | 120.0° |
| C16 | C15 | C24 | H8 | 123.3° | 120.0° |
| C16 | C15 | C24 | C26 | 177.7° | 69.7° |
| C16 | C15 | N14 | H8 | 119.2° | 119.9° |
| C16 | C15 | N14 | C13 | 122.6° | 89.4° |
| C15 | C16 | H9 | H10 | 120.4° | 120.0° |
| C15 | C16 | C17 | H11 | 60.0° | 52.3° |
| C16 | C15 | C24 | H18 | 64.1° | 170.2° |
| C16 | C15 | N14 | H32 | 57.4° | 90.5° |
| O25 | C24 | C15 | C26 | 120.1° | 120.0° |
| O25 | C24 | C15 | H18 | 121.6° | 120.0° |
| O25 | C24 | C26 | H18 | 117.0° | 120.0° |
| O25 | C24 | C15 | N14 | 173.6° | 69.8° |
| O25 | C24 | C26 | N27 | 55.8° | 179.5° |
| O25 | C24 | C26 | O35 | 121.5° | 0.6° |
| O25 | C24 | C15 | H8 | 65.8° | 170.2° |
| C19 | C18 | C17 | H12 | 120.5° | 119.7° |
| C19 | C18 | C17 | H13 | 120.5° | 119.8° |
| C19 | C18 | C17 | H11 | 77.0° | 71.1° |
| C19 | C18 | H12 | H13 | 118.4° | 120.5° |
| C18 | C19 | H14 | H15 | 118.2° | 120.3° |
| C18 | C19 | C20 | H16 | 168.9° | 69.6° |
| C18 | C19 | C20 | H17 | 72.1° | 170.9° |
| C18 | C17 | C16 | H9 | 57.3° | 67.8° |
| C18 | C17 | C16 | H10 | 177.5° | 52.2° |
| C17 | C18 | H12 | H13 | 118.4° | 120.5° |
| C17 | C18 | C19 | H14 | 55.6° | 172.7° |
| C17 | C18 | C19 | H15 | 174.4° | 52.4° |
| C15 | C24 | C26 | H18 | 118.2° | 120.0° |
| C24 | C15 | N14 | H8 | 119.7° | 120.0° |
| C24 | C15 | N14 | C13 | 116.3° | 150.5° |
| C15 | C24 | C26 | N27 | 69.0° | 60.6° |
| C15 | C24 | C26 | O35 | 113.7° | 119.4° |
| C24 | C15 | C16 | H9 | 59.7° | 169.8° |
| C24 | C15 | C16 | H10 | 60.6° | 49.8° |
| C24 | C15 | N14 | H32 | 63.7° | 29.5° |
| C15 | C24 | O25 | H35 | 180.0° | 60.0° |
| C26 | C24 | C15 | N14 | 66.2° | 170.2° |
| C24 | C26 | N27 | O35 | 177.4° | 180.0° |
| C24 | C26 | N27 | C28 | 177.0° | 180.0° |
| C26 | C24 | C15 | H8 | 54.4° | 50.2° |
| C24 | C26 | N27 | H34 | 3.0° | 0.1° |
| C26 | C24 | O25 | H35 | 56.6° | 60.0° |
| C15 | N14 | C13 | H32 | 180.0° | 179.9° |
| C15 | N14 | C13 | O36 | 2.2° | 4.9° |
| C15 | N14 | C13 | C04 | 179.1° | 175.0° |
| N14 | C15 | C16 | H9 | 176.1° | 49.8° |
| N14 | C15 | C16 | H10 | 55.8° | 70.2° |
| N14 | C15 | C24 | H18 | 52.0° | 50.2° |
| N14 | C13 | O36 | C04 | 178.6° | 179.9° |
| N14 | C13 | C04 | N03 | 131.7° | 179.9° |
| N14 | C13 | C04 | C05 | 106.7° | 60.0° |
| N14 | C13 | C04 | H1 | 13.9° | 60.1° |
| C13 | N14 | C15 | H8 | 3.4° | 30.5° |
| C26 | N27 | C28 | H34 | 180.0° | 179.9° |
| C26 | N27 | C28 | C29 | 85.1° | 180.0° |
| N27 | C26 | C24 | H18 | 172.9° | 59.4° |
| C26 | N27 | C28 | H19 | 153.4° | 60.0° |
| C26 | N27 | C28 | H20 | 36.4° | 60.1° |
| O35 | C26 | N27 | C28 | 0.5° | 0.1° |
| O35 | C26 | C24 | H18 | 4.5° | 120.6° |
| O35 | C26 | N27 | H34 | 179.5° | 180.0° |
| N27 | C28 | C29 | H19 | 121.5° | 120.0° |
| N27 | C28 | C29 | H20 | 121.5° | 120.0° |
| N27 | C28 | C29 | C30 | 30.7° | 90.0° |
| N27 | C28 | C29 | C34 | 152.5° | 90.3° |
| N27 | C28 | H19 | H20 | 115.1° | 120.1° |
| O01 | C02 | C37 | C38 | 5.5° | 0.0° |
| O01 | C02 | C37 | N03 | 178.3° | 179.7° |
| O01 | C02 | C37 | O45 | 178.4° | 179.6° |
| O01 | C02 | N03 | C04 | 1.9° | 0.3° |
| O01 | C02 | N03 | H31 | 178.1° | 179.7° |
| O36 | C13 | C04 | N03 | 46.9° | 0.0° |
| O36 | C13 | C04 | C05 | 74.7° | 119.9° |
| O36 | C13 | C04 | H1 | 164.7° | 120.0° |
| O36 | C13 | N14 | H32 | 177.8° | 175.0° |
| C13 | C04 | N03 | C02 | 70.1° | 155.0° |
| C13 | C04 | N03 | C05 | 121.1° | 120.0° |
| C13 | C04 | N03 | H1 | 117.0° | 120.0° |
| C13 | C04 | C05 | H1 | 120.7° | 120.1° |
| C13 | C04 | C05 | C06 | 169.6° | 175.0° |
| C13 | C04 | C05 | H2 | 71.9° | 65.0° |
| C13 | C04 | C05 | H3 | 51.0° | 55.1° |
| C13 | C04 | N03 | H31 | 109.9° | 25.0° |
| C04 | C13 | N14 | H32 | 0.9° | 5.1° |
| C37 | C38 | C39 | H26 | 180.0° | 179.9° |
| C38 | C37 | C02 | O45 | 176.1° | 179.6° |
| C38 | C37 | C02 | N03 | 172.8° | 179.7° |
| C37 | C38 | C39 | C40 | 179.1° | 180.0° |
| C37 | C38 | C39 | C44 | 1.4° | 0.1° |
| C38 | C37 | O45 | C44 | 1.7° | 0.4° |
| C39 | C38 | C37 | C02 | 178.2° | 180.0° |
| C39 | C38 | C37 | O45 | 1.9° | 0.3° |
| C38 | C39 | C40 | C44 | 179.5° | 180.0° |
| C38 | C39 | C40 | C41 | 179.3° | 179.9° |
| C38 | C39 | C44 | O45 | 0.5° | 0.2° |
| C38 | C39 | C44 | C43 | 179.8° | 180.0° |
| C38 | C39 | C40 | H27 | 0.6° | 0.0° |
| C28 | C29 | C30 | C34 | 176.6° | 179.7° |
| C28 | C29 | C30 | C31 | 177.6° | 180.0° |
| C28 | C29 | C34 | C33 | 177.9° | 179.7° |
| C29 | C28 | H19 | H20 | 115.2° | 120.0° |
| C28 | C29 | C30 | H21 | 2.4° | 0.0° |
| C28 | C29 | C34 | H25 | 2.1° | 0.1° |
| C29 | C28 | N27 | H34 | 94.9° | 0.0° |
| C37 | C02 | N03 | C04 | 176.6° | 180.0° |
| C02 | C37 | O45 | C44 | 178.5° | 179.9° |
| C02 | C37 | C38 | H26 | 1.8° | 0.1° |
| C37 | C02 | N03 | H31 | 3.4° | 0.1° |
| N03 | C02 | C37 | O45 | 3.3° | 0.1° |
| C02 | N03 | C04 | H31 | 180.0° | 179.9° |
| C02 | N03 | C04 | C05 | 168.8° | 85.0° |
| C02 | N03 | C04 | H1 | 46.9° | 35.0° |
| C37 | O45 | C44 | C39 | 0.7° | 0.4° |
| C37 | O45 | C44 | C43 | 178.9° | 179.8° |
| O45 | C37 | C38 | H26 | 178.1° | 179.8° |
| C39 | C40 | C41 | H27 | 180.0° | 179.9° |
| C39 | C40 | C41 | C42 | 0.3° | 0.1° |
| C40 | C39 | C44 | O45 | 179.9° | 179.8° |
| C40 | C39 | C44 | C43 | 0.2° | 0.0° |
| C40 | C39 | C38 | H26 | 0.9° | 0.1° |
| C39 | C40 | C41 | H28 | 179.7° | 180.0° |
| C41 | C40 | C39 | C44 | 0.1° | 0.0° |
| C40 | C41 | C42 | H28 | 180.0° | 179.9° |
| C40 | C41 | C42 | C43 | 0.1° | 0.1° |
| C40 | C41 | C42 | H29 | 179.9° | 180.0° |
| C39 | C44 | O45 | C43 | 179.6° | 179.8° |
| C39 | C44 | C43 | C42 | 0.4° | 0.0° |
| C44 | C39 | C38 | H26 | 178.6° | 180.0° |
| C44 | C39 | C40 | H27 | 179.9° | 180.0° |
| C39 | C44 | C43 | H30 | 179.6° | 179.9° |
| N03 | C04 | C05 | H1 | 122.6° | 120.0° |
| N03 | C04 | C05 | C06 | 73.8° | 65.0° |
| N03 | C04 | C05 | H2 | 44.7° | 55.0° |
| N03 | C04 | C05 | H3 | 167.7° | 175.0° |
| C04 | C05 | C06 | H2 | 118.5° | 120.0° |
| C04 | C05 | C06 | H3 | 118.5° | 120.0° |
| C04 | C05 | C06 | C07 | 80.7° | 89.7° |
| C04 | C05 | C06 | C12 | 96.5° | 90.0° |
| C04 | C05 | H2 | H3 | 124.2° | 120.0° |
| C05 | C04 | N03 | H31 | 11.2° | 95.0° |
| C29 | C30 | C31 | H21 | 180.0° | 180.0° |
| C30 | C29 | C34 | C33 | 1.2° | 0.6° |
| C29 | C30 | C31 | C32 | 0.3° | 0.0° |
| C30 | C29 | C28 | H19 | 90.8° | 150.0° |
| C30 | C29 | C28 | H20 | 152.2° | 30.0° |
| C29 | C30 | C31 | H22 | 179.6° | 180.0° |
| C30 | C29 | C34 | H25 | 178.8° | 179.8° |
| C34 | C29 | C30 | C31 | 1.0° | 0.3° |
| C29 | C34 | C33 | H25 | 180.0° | 179.7° |
| C29 | C34 | C33 | C32 | 0.5° | 0.6° |
| C34 | C29 | C28 | H19 | 86.0° | 29.7° |
| C34 | C29 | C28 | H20 | 31.1° | 149.7° |
| C34 | C29 | C30 | H21 | 179.0° | 179.7° |
| C29 | C34 | C33 | H24 | 179.5° | 179.7° |
| C41 | C42 | C43 | C44 | 0.3° | 0.0° |
| C41 | C42 | C43 | H29 | 180.0° | 180.0° |
| C42 | C41 | C40 | H27 | 179.7° | 180.0° |
| C41 | C42 | C43 | H30 | 179.8° | 180.0° |
| O45 | C44 | C43 | C42 | 180.0° | 179.7° |
| O45 | C44 | C43 | H30 | 0.1° | 0.3° |
| C30 | C31 | C32 | H22 | 180.0° | 179.9° |
| C30 | C31 | C32 | C33 | 0.3° | NaN° |
| C30 | C31 | C32 | H23 | 179.7° | 179.9° |
| C44 | C43 | C42 | H30 | 180.0° | 180.0° |
| C44 | C43 | C42 | H29 | 179.7° | 180.0° |
| C05 | C06 | C07 | C12 | 177.0° | 179.7° |
| C05 | C06 | C07 | C08 | 178.3° | 180.0° |
| C05 | C06 | C12 | C11 | 178.8° | 179.8° |
| C06 | C05 | C04 | H1 | 48.8° | 55.0° |
| C06 | C05 | H2 | H3 | 124.2° | 120.0° |
| C05 | C06 | C07 | H4 | 1.7° | 0.1° |
| C05 | C06 | C12 | H7 | 1.2° | 0.0° |
| C34 | C33 | C32 | C31 | 0.2° | 0.3° |
| C34 | C33 | C32 | H24 | 180.0° | 179.7° |
| C34 | C33 | C32 | H23 | 179.8° | 179.8° |
| C43 | C42 | C41 | H28 | 179.9° | 180.0° |
| C06 | C07 | C08 | H4 | 180.0° | 179.9° |
| C06 | C07 | C08 | C09 | 0.5° | 0.0° |
| C07 | C06 | C12 | C11 | 1.7° | 0.5° |
| C07 | C06 | C05 | H2 | 160.8° | 150.3° |
| C07 | C06 | C05 | H3 | 37.8° | 30.3° |
| C06 | C07 | C08 | H5 | 179.5° | 179.9° |
| C07 | C06 | C12 | H7 | 178.3° | 179.7° |
| C08 | C07 | C06 | C12 | 1.3° | 0.3° |
| C07 | C08 | C09 | H5 | 180.0° | 180.0° |
| C07 | C08 | C09 | C11 | 0.3° | 0.0° |
| C07 | C08 | C09 | F10 | 179.6° | 180.0° |
| C31 | C32 | C33 | H23 | 180.0° | 179.9° |
| C32 | C31 | C30 | H21 | 179.7° | 180.0° |
| C31 | C32 | C33 | H24 | 179.8° | 180.0° |
| C06 | C12 | C11 | H7 | 180.0° | 179.8° |
| C06 | C12 | C11 | C09 | 1.4° | 0.5° |
| C12 | C06 | C05 | H2 | 22.0° | 30.0° |
| C12 | C06 | C05 | H3 | 145.0° | 150.0° |
| C12 | C06 | C07 | H4 | 178.7° | 179.8° |
| C06 | C12 | C11 | H6 | 178.6° | 179.7° |
| C08 | C09 | C11 | C12 | 0.7° | 0.3° |
| C08 | C09 | C11 | F10 | 179.3° | 179.9° |
| C09 | C08 | C07 | H4 | 179.5° | 180.0° |
| C08 | C09 | C11 | H6 | 179.3° | 179.9° |
| C33 | C32 | C31 | H22 | 179.7° | 179.9° |
| C32 | C33 | C34 | H25 | 179.5° | 179.8° |
| C12 | C11 | C09 | H6 | 180.0° | 179.8° |
| C12 | C11 | C09 | F10 | 180.0° | 179.8° |
| C11 | C09 | C08 | H5 | 179.7° | 179.9° |
| C09 | C11 | C12 | H7 | 178.6° | 179.7° |
| F10 | C09 | C08 | H5 | 0.4° | 0.0° |
| F10 | C09 | C11 | H6 | 0.0° | 0.0° |
| H1 | C04 | C05 | H2 | 167.3° | 175.0° |
| H1 | C04 | C05 | H3 | 69.7° | 65.0° |
| H1 | C04 | N03 | H31 | 133.1° | 145.0° |
| H4 | C07 | C08 | H5 | 0.5° | 0.0° |
| H6 | C11 | C12 | H7 | 1.4° | 0.1° |
| H8 | C15 | C16 | H9 | 63.7° | 70.2° |
| H8 | C15 | C16 | H10 | 176.0° | 169.8° |
| H8 | C15 | C24 | H18 | 172.6° | 69.8° |
| H8 | C15 | N14 | H32 | 176.6° | 149.6° |
| H9 | C16 | C17 | H11 | 179.9° | 172.4° |
| H10 | C16 | C17 | H11 | 59.8° | 67.7° |
| H11 | C17 | C18 | H12 | 43.5° | 169.1° |
| H11 | C17 | C18 | H13 | 162.5° | 48.7° |
| H12 | C18 | C19 | H14 | 65.0° | 67.6° |
| H12 | C18 | C19 | H15 | 53.9° | 172.1° |
| H13 | C18 | C19 | H14 | 176.1° | 52.9° |
| H13 | C18 | C19 | H15 | 65.1° | 67.4° |
| H14 | C19 | C20 | H16 | 48.4° | 50.2° |
| H14 | C19 | C20 | H17 | 167.3° | 69.4° |
| H15 | C19 | C20 | H16 | 70.5° | 170.6° |
| H15 | C19 | C20 | H17 | 48.5° | 51.1° |
| H16 | C20 | N21 | H33 | 40.9° | 78.8° |
| H17 | C20 | N21 | H33 | 78.0° | 40.7° |
| H18 | C24 | O25 | H35 | 59.3° | 180.0° |
| H19 | C28 | N27 | H34 | 26.6° | 119.9° |
| H20 | C28 | N27 | H34 | 143.6° | 120.0° |
| H21 | C30 | C31 | H22 | 0.3° | 0.1° |
| H22 | C31 | C32 | H23 | 0.3° | 0.0° |
| H23 | C32 | C33 | H24 | 0.2° | 0.1° |
| H24 | C33 | C34 | H25 | 0.5° | 0.0° |
| H27 | C40 | C41 | H28 | 0.2° | 0.1° |
| H28 | C41 | C42 | H29 | 0.1° | 0.1° |
| H29 | C42 | C43 | H30 | 0.2° | 0.1° |
