7J1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C26 | C27 | doub | 1.35Å | 1.55Å | Aromatic |
| C26 | N25 | sing | 1.37Å | 1.47Å | Aromatic |
| O30 | C24 | doub | 1.21Å | 1.22Å | |
| C27 | C28 | sing | 1.41Å | 1.52Å | Aromatic |
| C24 | N25 | sing | 1.35Å | 1.38Å | |
| C24 | C23 | sing | 1.51Å | 1.49Å | |
| N25 | C29 | sing | 1.37Å | 1.45Å | Aromatic |
| C28 | C29 | doub | 1.35Å | 1.55Å | Aromatic |
| O18 | C05 | doub | 1.21Å | 1.25Å | |
| C23 | C22 | sing | 1.53Å | 1.55Å | |
| C22 | N31 | sing | 1.47Å | 1.44Å | |
| C22 | C02 | sing | 1.51Å | 1.51Å | |
| C15 | C14 | doub | 1.36Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.42Å | Aromatic |
| N03 | C02 | sing | 1.35Å | 1.34Å | |
| N03 | C04 | sing | 1.47Å | 1.38Å | |
| C14 | C13 | sing | 1.41Å | 1.42Å | Aromatic |
| C05 | C04 | sing | 1.51Å | 1.50Å | |
| C05 | N06 | sing | 1.35Å | 1.36Å | |
| C16 | C17 | doub | 1.36Å | 1.37Å | Aromatic |
| N31 | C32 | sing | 1.35Å | 1.39Å | |
| C19 | C04 | sing | 1.53Å | 1.53Å | |
| C19 | O20 | sing | 1.43Å | 1.37Å | |
| O41 | C32 | doub | 1.21Å | 1.21Å | |
| C02 | O01 | doub | 1.21Å | 1.22Å | |
| C32 | C33 | sing | 1.51Å | 1.51Å | |
| C07 | N06 | sing | 1.47Å | 1.46Å | |
| C07 | C08 | sing | 1.51Å | 1.54Å | |
| C13 | C08 | doub | 1.41Å | 1.45Å | Aromatic |
| C13 | C12 | sing | 1.42Å | 1.41Å | Aromatic |
| C17 | C12 | sing | 1.41Å | 1.43Å | Aromatic |
| O20 | C21 | sing | 1.43Å | 1.40Å | |
| C08 | C09 | sing | 1.36Å | 1.38Å | Aromatic |
| C33 | C34 | sing | 1.53Å | 1.54Å | |
| C12 | C11 | doub | 1.41Å | 1.41Å | Aromatic |
| C40 | C39 | doub | 1.38Å | 1.39Å | Aromatic |
| C40 | C35 | sing | 1.38Å | 1.40Å | Aromatic |
| C09 | C10 | doub | 1.39Å | 1.41Å | Aromatic |
| C34 | C35 | sing | 1.51Å | 1.48Å | |
| C11 | C10 | sing | 1.36Å | 1.36Å | Aromatic |
| C39 | C38 | sing | 1.38Å | 1.38Å | Aromatic |
| C35 | C36 | doub | 1.38Å | 1.38Å | Aromatic |
| C38 | C37 | doub | 1.38Å | 1.39Å | Aromatic |
| C36 | C37 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C19 | H3 | sing | 1.09Å | 1.10Å | |
| C19 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C14 | H11 | sing | 1.08Å | 1.08Å | |
| C26 | H12 | sing | 1.08Å | 1.08Å | |
| C16 | H13 | sing | 1.08Å | 1.08Å | |
| C27 | H14 | sing | 1.08Å | 1.08Å | |
| C29 | H15 | sing | 1.08Å | 1.08Å | |
| N03 | H16 | sing | 0.97Å | 1.00Å | |
| C04 | H17 | sing | 1.09Å | 1.10Å | |
| N06 | H18 | sing | 0.97Å | 1.00Å | |
| C07 | H19 | sing | 1.09Å | 1.10Å | |
| C07 | H20 | sing | 1.09Å | 1.10Å | |
| C09 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| N31 | H25 | sing | 0.97Å | 1.00Å | |
| C33 | H26 | sing | 1.09Å | 1.10Å | |
| C33 | H27 | sing | 1.09Å | 1.10Å | |
| C34 | H28 | sing | 1.09Å | 1.10Å | |
| C34 | H29 | sing | 1.09Å | 1.10Å | |
| C36 | H30 | sing | 1.08Å | 1.08Å | |
| C37 | H31 | sing | 1.08Å | 1.08Å | |
| C38 | H32 | sing | 1.08Å | 1.08Å | |
| C39 | H33 | sing | 1.08Å | 1.08Å | |
| C40 | H34 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C27 | C26 | N25 | 107.0° | 108.1° |
| C26 | C27 | C28 | 106.1° | 107.6° |
| C27 | C26 | H12 | 126.5° | 126.0° |
| C26 | C27 | H14 | 127.0° | 126.2° |
| C26 | N25 | C24 | 119.4° | 125.7° |
| C26 | N25 | C29 | 111.8° | 108.6° |
| N25 | C26 | H12 | 126.5° | 125.9° |
| O30 | C24 | N25 | 118.6° | 119.9° |
| O30 | C24 | C23 | 121.2° | 120.1° |
| C27 | C28 | C29 | 107.5° | 107.6° |
| C27 | C28 | H1 | 126.3° | 126.2° |
| C28 | C27 | H14 | 126.9° | 126.2° |
| N25 | C24 | C23 | 120.1° | 120.0° |
| C24 | N25 | C29 | 128.7° | 125.7° |
| C24 | C23 | C22 | 112.8° | 109.5° |
| C24 | C23 | H23 | 108.6° | 109.5° |
| C24 | C23 | H24 | 108.6° | 109.5° |
| N25 | C29 | C28 | 106.4° | 108.1° |
| N25 | C29 | H15 | 126.8° | 125.9° |
| C29 | C28 | H1 | 126.2° | 126.2° |
| C28 | C29 | H15 | 126.8° | 125.9° |
| O18 | C05 | C04 | 120.0° | 120.0° |
| O18 | C05 | N06 | 122.4° | 120.0° |
| C23 | C22 | N31 | 113.0° | 109.5° |
| C23 | C22 | C02 | 102.8° | 109.5° |
| C23 | C22 | H22 | 111.0° | 109.5° |
| C22 | C23 | H23 | 108.6° | 109.5° |
| C22 | C23 | H24 | 108.6° | 109.5° |
| N31 | C22 | C02 | 105.1° | 109.4° |
| C22 | N31 | C32 | 123.1° | 120.0° |
| N31 | C22 | H22 | 112.7° | 109.5° |
| C22 | N31 | H25 | 118.5° | 120.0° |
| C22 | C02 | N03 | 118.5° | 120.0° |
| C22 | C02 | O01 | 121.4° | 120.0° |
| C02 | C22 | H22 | 111.6° | 109.4° |
| C14 | C15 | C16 | 120.6° | 121.1° |
| C15 | C14 | C13 | 121.9° | 119.6° |
| C14 | C15 | H2 | 119.7° | 119.4° |
| C15 | C14 | H11 | 119.0° | 120.2° |
| C15 | C16 | C17 | 119.3° | 121.0° |
| C16 | C15 | H2 | 119.7° | 119.5° |
| C15 | C16 | H13 | 120.3° | 119.5° |
| C02 | N03 | C04 | 123.1° | 120.0° |
| N03 | C02 | O01 | 120.0° | 120.0° |
| C02 | N03 | H16 | 118.4° | 120.0° |
| N03 | C04 | C05 | 107.2° | 109.4° |
| N03 | C04 | C19 | 105.9° | 109.5° |
| C04 | N03 | H16 | 118.4° | 120.0° |
| N03 | C04 | H17 | 113.5° | 109.5° |
| C14 | C13 | C08 | 123.1° | 121.3° |
| C14 | C13 | C12 | 116.7° | 119.4° |
| C13 | C14 | H11 | 119.0° | 120.2° |
| C04 | C05 | N06 | 117.6° | 120.0° |
| C05 | C04 | C19 | 107.4° | 109.5° |
| C05 | C04 | H17 | 111.5° | 109.5° |
| C05 | N06 | C07 | 124.8° | 120.0° |
| C05 | N06 | H18 | 117.6° | 120.0° |
| C16 | C17 | C12 | 120.3° | 119.6° |
| C16 | C17 | H8 | 119.9° | 120.2° |
| C17 | C16 | H13 | 120.4° | 119.5° |
| N31 | C32 | O41 | 120.3° | 120.0° |
| N31 | C32 | C33 | 121.4° | 120.0° |
| C32 | N31 | H25 | 118.5° | 120.0° |
| C04 | C19 | O20 | 105.6° | 109.5° |
| C04 | C19 | H3 | 110.4° | 109.5° |
| C04 | C19 | H4 | 110.4° | 109.5° |
| C19 | C04 | H17 | 111.1° | 109.5° |
| C19 | O20 | C21 | 112.8° | 114.0° |
| O20 | C19 | H3 | 110.4° | 109.5° |
| O20 | C19 | H4 | 110.4° | 109.4° |
| O41 | C32 | C33 | 118.3° | 120.0° |
| C32 | C33 | C34 | 111.6° | 109.5° |
| C32 | C33 | H26 | 108.9° | 109.5° |
| C32 | C33 | H27 | 108.9° | 109.5° |
| N06 | C07 | C08 | 113.6° | 109.5° |
| C07 | N06 | H18 | 117.6° | 120.0° |
| N06 | C07 | H19 | 108.4° | 109.4° |
| N06 | C07 | H20 | 108.4° | 109.5° |
| C07 | C08 | C13 | 122.4° | 120.2° |
| C07 | C08 | C09 | 120.0° | 120.1° |
| C08 | C07 | H19 | 108.5° | 109.4° |
| C08 | C07 | H20 | 108.5° | 109.5° |
| C08 | C13 | C12 | 120.2° | 119.3° |
| C13 | C08 | C09 | 117.5° | 119.7° |
| C13 | C12 | C17 | 121.2° | 119.4° |
| C13 | C12 | C11 | 119.9° | 119.4° |
| C17 | C12 | C11 | 119.0° | 121.2° |
| C12 | C17 | H8 | 119.9° | 120.2° |
| O20 | C21 | H5 | 109.5° | 109.5° |
| O20 | C21 | H6 | 109.5° | 109.5° |
| O20 | C21 | H7 | 109.5° | 109.4° |
| C08 | C09 | C10 | 121.4° | 121.0° |
| C08 | C09 | H21 | 119.3° | 119.5° |
| C33 | C34 | C35 | 112.0° | 109.5° |
| C34 | C33 | H26 | 108.9° | 109.5° |
| C34 | C33 | H27 | 108.9° | 109.4° |
| C33 | C34 | H28 | 108.8° | 109.5° |
| C33 | C34 | H29 | 108.8° | 109.5° |
| C12 | C11 | C10 | 119.8° | 119.6° |
| C12 | C11 | H9 | 120.1° | 120.2° |
| C39 | C40 | C35 | 121.7° | 120.0° |
| C40 | C39 | C38 | 119.8° | 120.0° |
| C40 | C39 | H33 | 120.1° | 120.0° |
| C39 | C40 | H34 | 119.2° | 120.0° |
| C40 | C35 | C34 | 121.1° | 120.0° |
| C40 | C35 | C36 | 118.3° | 120.0° |
| C35 | C40 | H34 | 119.2° | 120.0° |
| C09 | C10 | C11 | 121.2° | 121.0° |
| C09 | C10 | H10 | 119.4° | 119.5° |
| C10 | C09 | H21 | 119.3° | 119.5° |
| C34 | C35 | C36 | 120.6° | 120.0° |
| C35 | C34 | H28 | 108.9° | 109.4° |
| C35 | C34 | H29 | 108.8° | 109.4° |
| C10 | C11 | H9 | 120.1° | 120.2° |
| C11 | C10 | H10 | 119.4° | 119.5° |
| C39 | C38 | C37 | 118.7° | 120.0° |
| C39 | C38 | H32 | 120.7° | 120.0° |
| C38 | C39 | H33 | 120.1° | 120.0° |
| C35 | C36 | C37 | 120.0° | 120.0° |
| C35 | C36 | H30 | 120.0° | 120.0° |
| C38 | C37 | C36 | 121.5° | 120.0° |
| C38 | C37 | H31 | 119.2° | 120.0° |
| C37 | C38 | H32 | 120.7° | 120.0° |
| C37 | C36 | H30 | 120.0° | 120.0° |
| C36 | C37 | H31 | 119.2° | 120.0° |
| H3 | C19 | H4 | 109.5° | 109.5° |
| H5 | C21 | H6 | 109.4° | 109.5° |
| H5 | C21 | H7 | 109.5° | 109.4° |
| H6 | C21 | H7 | 109.5° | 109.5° |
| H19 | C07 | H20 | 109.4° | 109.5° |
| H23 | C23 | H24 | 109.4° | 109.5° |
| H26 | C33 | H27 | 109.5° | 109.5° |
| H28 | C34 | H29 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C27 | C26 | N25 | H12 | 180.0° | 179.7° |
| C26 | C27 | C28 | H14 | 180.0° | 179.6° |
| C27 | C26 | N25 | C24 | 169.7° | 179.9° |
| C27 | C26 | N25 | C29 | 10.3° | 0.4° |
| C26 | C27 | C28 | C29 | 0.9° | 0.2° |
| C26 | C27 | C28 | H1 | 179.1° | 179.8° |
| C26 | N25 | C24 | O30 | 0.4° | 179.7° |
| N25 | C26 | C27 | C28 | 5.3° | 0.4° |
| C26 | N25 | C24 | C29 | 179.9° | 179.7° |
| C26 | N25 | C24 | C23 | 179.6° | 0.3° |
| C26 | N25 | C29 | C28 | 10.7° | 0.2° |
| N25 | C26 | C27 | H14 | 174.7° | 179.9° |
| C26 | N25 | C29 | H15 | 169.3° | 179.8° |
| O30 | C24 | N25 | C23 | 179.3° | 180.0° |
| O30 | C24 | N25 | C29 | 179.6° | 0.0° |
| O30 | C24 | C23 | C22 | 42.3° | 5.3° |
| O30 | C24 | C23 | H23 | 78.2° | 125.3° |
| O30 | C24 | C23 | H24 | 162.8° | 114.7° |
| C27 | C28 | C29 | N25 | 6.9° | 0.0° |
| C27 | C28 | C29 | H1 | 180.0° | 179.9° |
| C28 | C27 | C26 | H12 | 174.7° | 179.9° |
| C27 | C28 | C29 | H15 | 173.1° | 179.9° |
| C24 | N25 | C29 | C28 | 169.2° | 180.0° |
| N25 | C24 | C23 | C22 | 136.9° | 174.7° |
| C24 | N25 | C26 | H12 | 10.3° | 0.1° |
| C24 | N25 | C29 | H15 | 10.8° | 0.1° |
| N25 | C24 | C23 | H23 | 102.6° | 54.7° |
| N25 | C24 | C23 | H24 | 16.4° | 65.3° |
| C23 | C24 | N25 | C29 | 0.3° | 180.0° |
| C24 | C23 | C22 | H23 | 120.5° | 120.0° |
| C24 | C23 | C22 | H24 | 120.5° | 120.0° |
| C24 | C23 | C22 | N31 | 71.0° | 65.6° |
| C24 | C23 | C22 | C02 | 176.3° | 174.4° |
| C24 | C23 | C22 | H22 | 56.8° | 54.4° |
| C24 | C23 | H23 | H24 | 118.5° | 120.0° |
| N25 | C29 | C28 | H15 | 180.0° | 179.9° |
| N25 | C29 | C28 | H1 | 173.1° | 179.9° |
| C29 | N25 | C26 | H12 | 169.7° | 179.9° |
| C29 | C28 | C27 | H14 | 179.1° | 179.8° |
| O18 | C05 | C04 | N03 | 50.2° | 0.0° |
| O18 | C05 | C04 | N06 | 178.5° | 180.0° |
| O18 | C05 | C04 | C19 | 63.2° | 120.0° |
| O18 | C05 | N06 | C07 | 0.4° | 0.0° |
| O18 | C05 | C04 | H17 | 174.9° | 120.0° |
| O18 | C05 | N06 | H18 | 179.5° | 180.0° |
| C23 | C22 | N31 | C02 | 111.4° | 120.0° |
| C23 | C22 | N31 | H22 | 126.9° | 120.0° |
| C23 | C22 | C02 | H22 | 119.0° | 120.0° |
| C23 | C22 | C02 | N03 | 84.8° | 59.9° |
| C23 | C22 | N31 | C32 | 173.9° | 158.1° |
| C23 | C22 | C02 | O01 | 95.7° | 120.0° |
| C22 | C23 | H23 | H24 | 118.5° | 120.0° |
| C23 | C22 | N31 | H25 | 6.1° | 21.8° |
| N31 | C22 | C02 | H22 | 122.5° | 120.0° |
| N31 | C22 | C02 | N03 | 156.7° | 179.9° |
| C22 | N31 | C32 | H25 | 180.0° | 179.9° |
| C22 | N31 | C32 | O41 | 0.8° | 4.5° |
| N31 | C22 | C02 | O01 | 22.8° | 0.0° |
| C22 | N31 | C32 | C33 | 178.5° | 175.1° |
| N31 | C22 | C23 | H23 | 168.5° | 54.4° |
| N31 | C22 | C23 | H24 | 49.6° | 174.4° |
| C22 | C02 | N03 | O01 | 179.6° | 179.9° |
| C22 | C02 | N03 | C04 | 179.7° | 180.0° |
| C02 | C22 | N31 | C32 | 74.7° | 81.9° |
| C22 | C02 | N03 | H16 | 0.3° | 0.1° |
| C02 | C22 | C23 | H23 | 55.8° | 65.6° |
| C02 | C22 | C23 | H24 | 63.2° | 54.4° |
| C02 | C22 | N31 | H25 | 105.3° | 98.2° |
| C14 | C15 | C16 | H2 | 180.0° | 179.9° |
| C15 | C14 | C13 | H11 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.0° | 0.0° |
| C15 | C14 | C13 | C08 | 179.2° | 180.0° |
| C15 | C14 | C13 | C12 | 0.2° | 0.1° |
| C14 | C15 | C16 | H13 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 0.0° | 0.1° |
| C15 | C16 | C17 | H13 | 180.0° | 180.0° |
| C15 | C16 | C17 | C12 | 0.2° | 0.0° |
| C15 | C16 | C17 | H8 | 179.8° | 179.9° |
| C16 | C15 | C14 | H11 | 179.9° | 179.9° |
| C02 | N03 | C04 | H16 | 180.0° | 179.9° |
| C02 | N03 | C04 | C05 | 121.5° | 155.1° |
| C02 | N03 | C04 | C19 | 124.0° | 85.0° |
| C02 | N03 | C04 | H17 | 2.0° | 35.1° |
| N03 | C02 | C22 | H22 | 34.3° | 60.1° |
| N03 | C04 | C05 | C19 | 113.4° | 120.0° |
| N03 | C04 | C05 | H17 | 124.7° | 120.0° |
| N03 | C04 | C05 | N06 | 128.3° | 180.0° |
| N03 | C04 | C19 | H17 | 123.6° | 120.0° |
| N03 | C04 | C19 | O20 | 120.7° | 65.0° |
| C04 | N03 | C02 | O01 | 0.1° | 0.1° |
| N03 | C04 | C19 | H3 | 1.3° | 55.1° |
| N03 | C04 | C19 | H4 | 119.9° | 175.0° |
| C14 | C13 | C08 | C07 | 0.7° | 0.0° |
| C14 | C13 | C08 | C12 | 179.3° | 179.9° |
| C14 | C13 | C12 | C17 | 0.4° | 0.0° |
| C14 | C13 | C08 | C09 | 179.9° | 179.7° |
| C14 | C13 | C12 | C11 | 179.9° | 180.0° |
| C13 | C14 | C15 | H2 | 180.0° | 180.0° |
| C05 | C04 | C19 | H17 | 122.2° | 120.0° |
| C05 | C04 | C19 | O20 | 125.1° | 55.0° |
| C04 | C05 | N06 | C07 | 178.9° | 180.0° |
| C05 | C04 | C19 | H3 | 115.5° | 175.0° |
| C05 | C04 | C19 | H4 | 5.7° | 65.0° |
| C05 | C04 | N03 | H16 | 58.5° | 25.1° |
| C04 | C05 | N06 | H18 | 1.1° | 0.0° |
| N06 | C05 | C04 | C19 | 118.3° | 60.0° |
| C05 | N06 | C07 | H18 | 180.0° | 180.0° |
| C05 | N06 | C07 | C08 | 134.5° | 180.0° |
| N06 | C05 | C04 | H17 | 3.6° | 60.0° |
| C05 | N06 | C07 | H19 | 104.8° | 60.0° |
| C05 | N06 | C07 | H20 | 13.9° | 60.0° |
| C16 | C17 | C12 | C13 | 0.4° | 0.0° |
| C16 | C17 | C12 | H8 | 180.0° | 179.9° |
| C16 | C17 | C12 | C11 | 179.9° | 180.0° |
| C17 | C16 | C15 | H2 | 180.0° | 180.0° |
| N31 | C32 | O41 | C33 | 179.3° | 179.6° |
| N31 | C32 | C33 | C34 | 134.9° | 179.7° |
| C32 | N31 | C22 | H22 | 47.0° | 38.1° |
| N31 | C32 | C33 | H26 | 14.5° | 59.7° |
| N31 | C32 | C33 | H27 | 104.8° | 60.4° |
| C04 | C19 | O20 | H3 | 119.4° | 120.0° |
| C04 | C19 | O20 | H4 | 119.4° | 120.0° |
| C04 | C19 | O20 | C21 | 120.1° | 180.0° |
| C04 | C19 | H3 | H4 | 121.8° | 120.0° |
| C19 | C04 | N03 | H16 | 55.9° | 94.9° |
| O20 | C19 | H3 | H4 | 121.8° | 120.0° |
| C19 | O20 | C21 | H5 | 180.0° | 60.0° |
| C19 | O20 | C21 | H6 | 60.0° | 60.0° |
| C19 | O20 | C21 | H7 | 60.0° | 180.0° |
| O20 | C19 | C04 | H17 | 2.9° | 175.0° |
| O41 | C32 | C33 | C34 | 44.4° | 0.0° |
| O41 | C32 | N31 | H25 | 179.2° | 175.4° |
| O41 | C32 | C33 | H26 | 164.8° | 120.0° |
| O41 | C32 | C33 | H27 | 75.9° | 120.0° |
| O01 | C02 | N03 | H16 | 179.9° | 180.0° |
| O01 | C02 | C22 | H22 | 145.3° | 120.0° |
| C32 | C33 | C34 | H26 | 120.3° | 120.0° |
| C32 | C33 | C34 | H27 | 120.3° | 120.0° |
| C32 | C33 | C34 | C35 | 161.4° | 180.0° |
| C33 | C32 | N31 | H25 | 1.5° | 4.9° |
| C32 | C33 | H26 | H27 | 119.0° | 120.0° |
| C32 | C33 | C34 | H28 | 41.0° | 60.0° |
| C32 | C33 | C34 | H29 | 78.3° | 60.0° |
| N06 | C07 | C08 | H19 | 120.6° | 119.9° |
| N06 | C07 | C08 | H20 | 120.6° | 120.0° |
| N06 | C07 | C08 | C13 | 76.6° | 80.0° |
| N06 | C07 | C08 | C09 | 102.5° | 99.7° |
| N06 | C07 | H19 | H20 | 118.1° | 120.0° |
| C07 | C08 | C13 | C09 | 179.2° | 179.7° |
| C07 | C08 | C13 | C12 | 179.9° | 179.9° |
| C07 | C08 | C09 | C10 | 179.6° | 179.7° |
| C08 | C07 | N06 | H18 | 45.4° | 0.0° |
| C08 | C07 | H19 | H20 | 118.1° | 120.0° |
| C07 | C08 | C09 | H21 | 0.4° | 0.3° |
| C08 | C13 | C12 | C17 | 179.0° | 180.0° |
| C08 | C13 | C12 | C11 | 0.5° | 0.1° |
| C13 | C08 | C09 | C10 | 0.4° | 0.6° |
| C08 | C13 | C14 | H11 | 0.9° | 0.0° |
| C13 | C08 | C07 | H19 | 162.7° | 40.0° |
| C13 | C08 | C07 | H20 | 44.0° | 160.0° |
| C13 | C08 | C09 | H21 | 179.6° | 180.0° |
| C13 | C12 | C17 | C11 | 179.5° | 180.0° |
| C12 | C13 | C08 | C09 | 0.8° | 0.3° |
| C13 | C12 | C11 | C10 | 0.2° | 0.1° |
| C13 | C12 | C17 | H8 | 179.6° | 179.9° |
| C13 | C12 | C11 | H9 | 179.8° | 179.8° |
| C12 | C13 | C14 | H11 | 179.8° | 180.0° |
| C17 | C12 | C11 | C10 | 179.7° | 179.9° |
| C17 | C12 | C11 | H9 | 0.3° | 0.2° |
| C12 | C17 | C16 | H13 | 179.8° | 179.9° |
| C21 | O20 | C19 | H3 | 120.5° | 60.0° |
| C21 | O20 | C19 | H4 | 0.7° | 60.0° |
| O20 | C21 | H5 | H6 | 120.0° | 120.0° |
| O20 | C21 | H5 | H7 | 120.0° | 120.0° |
| O20 | C21 | H6 | H7 | 120.0° | 120.0° |
| C08 | C09 | C10 | H21 | 180.0° | 179.4° |
| C08 | C09 | C10 | C11 | 0.3° | 0.6° |
| C08 | C09 | C10 | H10 | 179.7° | 179.4° |
| C09 | C08 | C07 | H19 | 18.1° | 140.4° |
| C09 | C08 | C07 | H20 | 136.9° | 20.3° |
| C33 | C34 | C35 | C40 | 61.7° | 90.2° |
| C33 | C34 | C35 | H28 | 120.4° | 120.0° |
| C33 | C34 | C35 | H29 | 120.4° | 120.1° |
| C33 | C34 | C35 | C36 | 116.4° | 90.0° |
| C34 | C33 | H26 | H27 | 119.0° | 120.0° |
| C33 | C34 | H28 | H29 | 118.8° | 120.1° |
| C12 | C11 | C10 | C09 | 0.6° | 0.2° |
| C12 | C11 | C10 | H9 | 180.0° | 179.8° |
| C11 | C12 | C17 | H8 | 0.1° | 0.1° |
| C12 | C11 | C10 | H10 | 179.4° | 179.8° |
| C39 | C40 | C35 | H34 | 180.0° | 179.5° |
| C39 | C40 | C35 | C34 | 178.8° | 179.7° |
| C40 | C39 | C38 | H33 | 180.0° | 179.8° |
| C39 | C40 | C35 | C36 | 0.7° | 0.5° |
| C40 | C39 | C38 | C37 | 0.2° | 0.2° |
| C40 | C39 | C38 | H32 | 179.8° | 179.8° |
| C40 | C35 | C34 | C36 | 178.1° | 179.8° |
| C35 | C40 | C39 | C38 | 0.2° | 0.5° |
| C40 | C35 | C36 | C37 | 0.8° | 0.3° |
| C40 | C35 | C34 | H28 | 58.7° | 149.8° |
| C40 | C35 | C34 | H29 | 177.9° | 29.8° |
| C40 | C35 | C36 | H30 | 179.2° | 179.8° |
| C35 | C40 | C39 | H33 | 179.8° | 179.7° |
| C09 | C10 | C11 | H10 | 180.0° | 180.0° |
| C09 | C10 | C11 | H9 | 179.4° | 179.9° |
| C34 | C35 | C36 | C37 | 178.9° | 179.9° |
| C35 | C34 | C33 | H26 | 78.3° | 60.0° |
| C35 | C34 | C33 | H27 | 41.0° | 60.0° |
| C35 | C34 | H28 | H29 | 118.8° | 119.9° |
| C34 | C35 | C36 | H30 | 1.0° | 0.0° |
| C34 | C35 | C40 | H34 | 1.2° | 0.2° |
| C11 | C10 | C09 | H21 | 179.7° | 180.0° |
| C39 | C38 | C37 | H32 | 180.0° | 180.0° |
| C39 | C38 | C37 | C36 | 0.0° | 0.0° |
| C39 | C38 | C37 | H31 | 180.0° | 180.0° |
| C38 | C39 | C40 | H34 | 179.8° | 180.0° |
| C35 | C36 | C37 | C38 | 0.4° | 0.1° |
| C35 | C36 | C37 | H30 | 180.0° | 179.9° |
| C36 | C35 | C34 | H28 | 123.2° | 30.0° |
| C36 | C35 | C34 | H29 | 4.0° | 149.9° |
| C35 | C36 | C37 | H31 | 179.6° | 180.0° |
| C36 | C35 | C40 | H34 | 179.3° | 179.9° |
| C38 | C37 | C36 | H31 | 180.0° | 180.0° |
| C38 | C37 | C36 | H30 | 179.5° | 180.0° |
| C37 | C38 | C39 | H33 | 179.8° | 179.9° |
| C36 | C37 | C38 | H32 | 180.0° | 180.0° |
| H1 | C28 | C27 | H14 | 0.9° | 0.3° |
| H1 | C28 | C29 | H15 | 6.9° | 0.0° |
| H2 | C15 | C14 | H11 | 0.0° | 0.0° |
| H2 | C15 | C16 | H13 | 0.0° | 0.1° |
| H3 | C19 | C04 | H17 | 122.3° | 65.0° |
| H4 | C19 | C04 | H17 | 116.5° | 55.0° |
| H5 | C21 | H6 | H7 | 120.0° | 120.0° |
| H8 | C17 | C16 | H13 | 0.2° | 0.0° |
| H9 | C11 | C10 | H10 | 0.6° | 0.1° |
| H10 | C10 | C09 | H21 | 0.3° | 0.0° |
| H12 | C26 | C27 | H14 | 5.3° | 0.3° |
| H16 | N03 | C04 | H17 | 178.0° | 145.0° |
| H18 | N06 | C07 | H19 | 75.2° | 120.0° |
| H18 | N06 | C07 | H20 | 166.1° | 120.0° |
| H22 | C22 | C23 | H23 | 63.7° | 174.4° |
| H22 | C22 | C23 | H24 | 177.3° | 65.6° |
| H22 | C22 | N31 | H25 | 133.0° | 141.8° |
| H26 | C33 | C34 | H28 | 161.3° | 180.0° |
| H26 | C33 | C34 | H29 | 42.0° | 60.0° |
| H27 | C33 | C34 | H28 | 79.4° | 60.0° |
| H27 | C33 | C34 | H29 | 161.4° | 180.0° |
| H30 | C36 | C37 | H31 | 0.5° | 0.0° |
| H31 | C37 | C38 | H32 | 0.0° | 0.0° |
| H32 | C38 | C39 | H33 | 0.2° | 0.0° |
| H33 | C39 | C40 | H34 | 0.2° | 0.2° |
