7C7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C39 | C38 | doub | 1.38Å | 1.39Å | Aromatic |
| C39 | C40 | sing | 1.38Å | 1.39Å | Aromatic |
| C38 | C37 | sing | 1.38Å | 1.39Å | Aromatic |
| C40 | C35 | doub | 1.38Å | 1.40Å | Aromatic |
| C37 | C36 | doub | 1.38Å | 1.39Å | Aromatic |
| C35 | C36 | sing | 1.38Å | 1.39Å | Aromatic |
| C35 | C34 | sing | 1.51Å | 1.50Å | |
| C34 | C33 | sing | 1.53Å | 1.54Å | |
| C33 | C32 | sing | 1.51Å | 1.54Å | |
| O41 | C32 | doub | 1.21Å | 1.23Å | |
| C32 | N31 | sing | 1.35Å | 1.40Å | |
| N31 | C22 | sing | 1.46Å | 1.44Å | |
| O30 | C24 | doub | 1.21Å | 1.23Å | |
| C22 | C02 | sing | 1.51Å | 1.58Å | |
| C22 | C23 | sing | 1.53Å | 1.58Å | |
| C27 | C26 | sing | 1.53Å | 1.54Å | |
| C19 | O20 | sing | 1.43Å | 1.42Å | |
| C19 | C04 | sing | 1.53Å | 1.56Å | |
| C24 | C23 | sing | 1.51Å | 1.51Å | |
| C24 | N25 | sing | 1.35Å | 1.40Å | |
| C02 | N03 | sing | 1.35Å | 1.39Å | |
| C02 | O01 | doub | 1.21Å | 1.22Å | |
| N03 | C04 | sing | 1.46Å | 1.46Å | |
| C26 | N25 | sing | 1.47Å | 1.47Å | |
| C21 | O20 | sing | 1.43Å | 1.41Å | |
| N25 | C28 | sing | 1.46Å | 1.49Å | |
| C04 | C05 | sing | 1.51Å | 1.57Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C05 | O18 | doub | 1.21Å | 1.22Å | |
| C05 | N06 | sing | 1.35Å | 1.40Å | |
| N06 | C07 | sing | 1.47Å | 1.48Å | |
| C07 | C08 | sing | 1.51Å | 1.53Å | |
| C14 | C15 | doub | 1.36Å | 1.37Å | Aromatic |
| C14 | C13 | sing | 1.41Å | 1.41Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.41Å | Aromatic |
| C08 | C13 | doub | 1.41Å | 1.45Å | Aromatic |
| C08 | C09 | sing | 1.36Å | 1.37Å | Aromatic |
| C13 | C12 | sing | 1.42Å | 1.42Å | Aromatic |
| C16 | C17 | doub | 1.36Å | 1.36Å | Aromatic |
| C09 | C10 | doub | 1.39Å | 1.42Å | Aromatic |
| C12 | C17 | sing | 1.40Å | 1.42Å | Aromatic |
| C12 | C11 | doub | 1.41Å | 1.42Å | Aromatic |
| C10 | C11 | sing | 1.36Å | 1.37Å | Aromatic |
| C11 | H1 | sing | 1.08Å | 1.08Å | |
| C10 | H2 | sing | 1.08Å | 1.08Å | |
| C14 | H3 | sing | 1.08Å | 1.08Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| N03 | H5 | sing | 0.97Å | 1.00Å | |
| C04 | H6 | sing | 1.09Å | 1.10Å | |
| N06 | H7 | sing | 0.97Å | 1.00Å | |
| C07 | H8 | sing | 1.09Å | 1.10Å | |
| C07 | H9 | sing | 1.09Å | 1.10Å | |
| C09 | H10 | sing | 1.08Å | 1.08Å | |
| C16 | H11 | sing | 1.08Å | 1.08Å | |
| C17 | H12 | sing | 1.08Å | 1.08Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C26 | H21 | sing | 1.09Å | 1.10Å | |
| C26 | H22 | sing | 1.09Å | 1.10Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| C28 | H26 | sing | 1.09Å | 1.10Å | |
| C28 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H30 | sing | 1.09Å | 1.10Å | |
| N31 | H31 | sing | 0.97Å | 1.00Å | |
| C33 | H32 | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H35 | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| C39 | H39 | sing | 1.08Å | 1.08Å | |
| C40 | H40 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C38 | C39 | C40 | 120.3° | 120.0° |
| C39 | C38 | C37 | 118.7° | 120.0° |
| C39 | C38 | H38 | 120.6° | 120.0° |
| C38 | C39 | H39 | 119.8° | 120.0° |
| C39 | C40 | C35 | 121.6° | 120.0° |
| C40 | C39 | H39 | 119.8° | 120.0° |
| C39 | C40 | H40 | 119.2° | 120.0° |
| C38 | C37 | C36 | 120.6° | 120.0° |
| C38 | C37 | H37 | 119.7° | 120.0° |
| C37 | C38 | H38 | 120.7° | 120.0° |
| C40 | C35 | C36 | 116.8° | 120.0° |
| C40 | C35 | C34 | 123.6° | 120.0° |
| C35 | C40 | H40 | 119.2° | 120.0° |
| C37 | C36 | C35 | 122.0° | 120.0° |
| C37 | C36 | H36 | 119.0° | 120.0° |
| C36 | C37 | H37 | 119.7° | 120.0° |
| C36 | C35 | C34 | 119.6° | 120.0° |
| C35 | C36 | H36 | 119.0° | 120.0° |
| C35 | C34 | C33 | 114.1° | 109.4° |
| C35 | C34 | H34 | 108.3° | 109.5° |
| C35 | C34 | H35 | 108.3° | 109.5° |
| C34 | C33 | C32 | 115.5° | 109.5° |
| C34 | C33 | H32 | 108.0° | 109.5° |
| C34 | C33 | H33 | 107.9° | 109.5° |
| C33 | C34 | H34 | 108.3° | 109.4° |
| C33 | C34 | H35 | 108.3° | 109.4° |
| C33 | C32 | O41 | 121.7° | 120.0° |
| C33 | C32 | N31 | 121.2° | 120.0° |
| C32 | C33 | H32 | 108.0° | 109.4° |
| C32 | C33 | H33 | 108.0° | 109.5° |
| O41 | C32 | N31 | 117.1° | 120.0° |
| C32 | N31 | C22 | 123.9° | 120.0° |
| C32 | N31 | H31 | 118.1° | 120.0° |
| N31 | C22 | C02 | 108.7° | 109.5° |
| N31 | C22 | C23 | 117.6° | 109.4° |
| N31 | C22 | H18 | 109.1° | 109.5° |
| C22 | N31 | H31 | 118.0° | 120.1° |
| O30 | C24 | C23 | 119.3° | 120.0° |
| O30 | C24 | N25 | 117.5° | 120.0° |
| C02 | C22 | C23 | 106.1° | 109.4° |
| C22 | C02 | N03 | 122.6° | 120.0° |
| C22 | C02 | O01 | 118.7° | 120.0° |
| C02 | C22 | H18 | 107.5° | 109.5° |
| C22 | C23 | C24 | 120.7° | 109.5° |
| C23 | C22 | H18 | 107.5° | 109.4° |
| C22 | C23 | H19 | 106.6° | 109.5° |
| C22 | C23 | H20 | 106.6° | 109.5° |
| C27 | C26 | N25 | 114.1° | 109.5° |
| C27 | C26 | H21 | 108.3° | 109.5° |
| C27 | C26 | H22 | 108.3° | 109.5° |
| C26 | C27 | H23 | 109.5° | 109.4° |
| C26 | C27 | H24 | 109.5° | 109.5° |
| C26 | C27 | H25 | 109.5° | 109.5° |
| O20 | C19 | C04 | 108.5° | 109.5° |
| C19 | O20 | C21 | 113.8° | 114.0° |
| O20 | C19 | H13 | 109.7° | 109.4° |
| O20 | C19 | H14 | 109.7° | 109.5° |
| C19 | C04 | N03 | 110.6° | 109.5° |
| C19 | C04 | C05 | 110.8° | 109.5° |
| C19 | C04 | H6 | 108.7° | 109.4° |
| C04 | C19 | H13 | 109.7° | 109.5° |
| C04 | C19 | H14 | 109.7° | 109.5° |
| C23 | C24 | N25 | 123.1° | 120.0° |
| C24 | C23 | H19 | 106.6° | 109.4° |
| C24 | C23 | H20 | 106.6° | 109.5° |
| C24 | N25 | C26 | 123.7° | 120.0° |
| C24 | N25 | C28 | 120.7° | 120.0° |
| N03 | C02 | O01 | 118.7° | 120.0° |
| C02 | N03 | C04 | 126.2° | 120.0° |
| C02 | N03 | H5 | 116.9° | 120.0° |
| N03 | C04 | C05 | 108.0° | 109.5° |
| C04 | N03 | H5 | 116.9° | 120.0° |
| N03 | C04 | H6 | 110.1° | 109.5° |
| C26 | N25 | C28 | 115.6° | 120.0° |
| N25 | C26 | H21 | 108.3° | 109.4° |
| N25 | C26 | H22 | 108.3° | 109.4° |
| O20 | C21 | H15 | 109.5° | 109.5° |
| O20 | C21 | H16 | 109.4° | 109.5° |
| O20 | C21 | H17 | 109.5° | 109.5° |
| N25 | C28 | C29 | 112.0° | 109.4° |
| N25 | C28 | H26 | 108.8° | 109.5° |
| N25 | C28 | H27 | 108.8° | 109.5° |
| C04 | C05 | O18 | 118.1° | 120.0° |
| C04 | C05 | N06 | 123.2° | 120.0° |
| C05 | C04 | H6 | 108.6° | 109.4° |
| C29 | C28 | H26 | 108.8° | 109.4° |
| C29 | C28 | H27 | 108.8° | 109.4° |
| C28 | C29 | H28 | 109.5° | 109.5° |
| C28 | C29 | H29 | 109.5° | 109.4° |
| C28 | C29 | H30 | 109.5° | 109.5° |
| O18 | C05 | N06 | 118.7° | 120.0° |
| C05 | N06 | C07 | 124.4° | 120.0° |
| C05 | N06 | H7 | 117.8° | 120.0° |
| N06 | C07 | C08 | 118.2° | 109.5° |
| C07 | N06 | H7 | 117.8° | 120.0° |
| N06 | C07 | H8 | 107.2° | 109.5° |
| N06 | C07 | H9 | 107.2° | 109.5° |
| C07 | C08 | C13 | 122.9° | 120.2° |
| C07 | C08 | C09 | 119.6° | 120.2° |
| C08 | C07 | H8 | 107.3° | 109.4° |
| C08 | C07 | H9 | 107.3° | 109.5° |
| C15 | C14 | C13 | 122.7° | 119.6° |
| C14 | C15 | C16 | 120.6° | 121.0° |
| C15 | C14 | H3 | 118.6° | 120.2° |
| C14 | C15 | H4 | 119.7° | 119.5° |
| C14 | C13 | C08 | 123.6° | 121.3° |
| C14 | C13 | C12 | 115.8° | 119.4° |
| C13 | C14 | H3 | 118.7° | 120.2° |
| C15 | C16 | C17 | 118.8° | 121.0° |
| C16 | C15 | H4 | 119.7° | 119.5° |
| C15 | C16 | H11 | 120.6° | 119.5° |
| C13 | C08 | C09 | 117.6° | 119.6° |
| C08 | C13 | C12 | 120.6° | 119.4° |
| C08 | C09 | C10 | 121.8° | 121.0° |
| C08 | C09 | H10 | 119.1° | 119.5° |
| C13 | C12 | C17 | 121.0° | 119.4° |
| C13 | C12 | C11 | 119.3° | 119.3° |
| C16 | C17 | C12 | 121.0° | 119.7° |
| C17 | C16 | H11 | 120.6° | 119.5° |
| C16 | C17 | H12 | 119.5° | 120.2° |
| C09 | C10 | C11 | 121.0° | 121.0° |
| C09 | C10 | H2 | 119.5° | 119.5° |
| C10 | C09 | H10 | 119.1° | 119.5° |
| C17 | C12 | C11 | 119.7° | 121.3° |
| C12 | C17 | H12 | 119.5° | 120.2° |
| C12 | C11 | C10 | 119.8° | 119.7° |
| C12 | C11 | H1 | 120.1° | 120.1° |
| C10 | C11 | H1 | 120.1° | 120.2° |
| C11 | C10 | H2 | 119.5° | 119.5° |
| H8 | C07 | H9 | 109.4° | 109.5° |
| H13 | C19 | H14 | 109.5° | 109.5° |
| H15 | C21 | H16 | 109.5° | 109.5° |
| H15 | C21 | H17 | 109.5° | 109.5° |
| H16 | C21 | H17 | 109.5° | 109.4° |
| H19 | C23 | H20 | 109.4° | 109.4° |
| H21 | C26 | H22 | 109.5° | 109.5° |
| H23 | C27 | H24 | 109.5° | 109.5° |
| H23 | C27 | H25 | 109.5° | 109.5° |
| H24 | C27 | H25 | 109.4° | 109.5° |
| H26 | C28 | H27 | 109.5° | 109.5° |
| H28 | C29 | H29 | 109.5° | 109.5° |
| H28 | C29 | H30 | 109.4° | 109.5° |
| H29 | C29 | H30 | 109.5° | 109.5° |
| H32 | C33 | H33 | 109.4° | 109.5° |
| H34 | C34 | H35 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C38 | C39 | C40 | H39 | 180.0° | 179.8° |
| C39 | C38 | C37 | H38 | 180.0° | 180.0° |
| C38 | C39 | C40 | C35 | 0.1° | 0.5° |
| C39 | C38 | C37 | C36 | 0.3° | 0.0° |
| C39 | C38 | C37 | H37 | 179.7° | 180.0° |
| C38 | C39 | C40 | H40 | 179.9° | 180.0° |
| C40 | C39 | C38 | C37 | 0.3° | 0.2° |
| C39 | C40 | C35 | H40 | 180.0° | 179.4° |
| C39 | C40 | C35 | C36 | 0.2° | 0.6° |
| C39 | C40 | C35 | C34 | 179.8° | 179.7° |
| C40 | C39 | C38 | H38 | 179.7° | 179.7° |
| C38 | C37 | C36 | H37 | 180.0° | 180.0° |
| C38 | C37 | C36 | C35 | 0.1° | 0.0° |
| C38 | C37 | C36 | H36 | 179.9° | 180.0° |
| C37 | C38 | C39 | H39 | 179.7° | 180.0° |
| C40 | C35 | C36 | C37 | 0.2° | 0.3° |
| C40 | C35 | C36 | C34 | 179.6° | 179.7° |
| C40 | C35 | C34 | C33 | 121.6° | 90.3° |
| C40 | C35 | C34 | H34 | 117.7° | 149.7° |
| C40 | C35 | C34 | H35 | 0.9° | 29.7° |
| C40 | C35 | C36 | H36 | 179.8° | 179.7° |
| C35 | C40 | C39 | H39 | 180.0° | 179.7° |
| C37 | C36 | C35 | H36 | 180.0° | 180.0° |
| C37 | C36 | C35 | C34 | 179.8° | 180.0° |
| C36 | C37 | C38 | H38 | 179.6° | 180.0° |
| C36 | C35 | C34 | C33 | 58.8° | 90.0° |
| C36 | C35 | C34 | H34 | 61.9° | 30.0° |
| C36 | C35 | C34 | H35 | 179.4° | 150.0° |
| C35 | C36 | C37 | H37 | 179.9° | 180.0° |
| C36 | C35 | C40 | H40 | 179.8° | 180.0° |
| C35 | C34 | C33 | H34 | 120.7° | 120.0° |
| C35 | C34 | C33 | H35 | 120.7° | 120.0° |
| C35 | C34 | C33 | C32 | 170.8° | 180.0° |
| C35 | C34 | C33 | H32 | 49.9° | 60.0° |
| C35 | C34 | C33 | H33 | 68.3° | 60.0° |
| C35 | C34 | H34 | H35 | 117.9° | 120.1° |
| C34 | C35 | C36 | H36 | 0.2° | 0.0° |
| C34 | C35 | C40 | H40 | 0.2° | 0.3° |
| C34 | C33 | C32 | H32 | 120.9° | 120.0° |
| C34 | C33 | C32 | H33 | 120.9° | 120.0° |
| C34 | C33 | C32 | O41 | 57.5° | 0.3° |
| C34 | C33 | C32 | N31 | 122.0° | 180.0° |
| C34 | C33 | H32 | H33 | 117.3° | 120.0° |
| C33 | C34 | H34 | H35 | 117.9° | 120.0° |
| C33 | C32 | O41 | N31 | 179.5° | 179.7° |
| C33 | C32 | N31 | C22 | 179.9° | 174.8° |
| C33 | C32 | N31 | H31 | 0.1° | 5.1° |
| C32 | C33 | H32 | H33 | 117.3° | 120.0° |
| C32 | C33 | C34 | H34 | 68.6° | 60.0° |
| C32 | C33 | C34 | H35 | 50.1° | 60.0° |
| O41 | C32 | N31 | C22 | 0.4° | 4.9° |
| O41 | C32 | N31 | H31 | 179.6° | 175.1° |
| O41 | C32 | C33 | H32 | 63.3° | 119.7° |
| O41 | C32 | C33 | H33 | 178.4° | 120.3° |
| C32 | N31 | C22 | H31 | 180.0° | 180.0° |
| C32 | N31 | C22 | C02 | 71.3° | 81.7° |
| C32 | N31 | C22 | C23 | 168.3° | 158.4° |
| C32 | N31 | C22 | H18 | 45.6° | 38.4° |
| N31 | C32 | C33 | H32 | 117.1° | 60.0° |
| N31 | C32 | C33 | H33 | 1.1° | 60.0° |
| N31 | C22 | C02 | C23 | 127.3° | 120.0° |
| N31 | C22 | C02 | H18 | 118.0° | 120.1° |
| N31 | C22 | C23 | H18 | 123.5° | 120.0° |
| N31 | C22 | C23 | C24 | 71.8° | 65.6° |
| N31 | C22 | C02 | N03 | 130.7° | 180.0° |
| N31 | C22 | C02 | O01 | 49.3° | 0.1° |
| N31 | C22 | C23 | H19 | 49.7° | 54.4° |
| N31 | C22 | C23 | H20 | 166.6° | 174.3° |
| O30 | C24 | C23 | C22 | 41.1° | 5.3° |
| O30 | C24 | C23 | N25 | 179.9° | 180.0° |
| O30 | C24 | N25 | C26 | 0.2° | 0.1° |
| O30 | C24 | N25 | C28 | 179.9° | 179.9° |
| O30 | C24 | C23 | H19 | 162.6° | 125.3° |
| O30 | C24 | C23 | H20 | 80.5° | 114.8° |
| C02 | C22 | C23 | H18 | 114.7° | 120.0° |
| C02 | C22 | C23 | C24 | 166.4° | 174.4° |
| C22 | C02 | N03 | O01 | 180.0° | 179.9° |
| C22 | C02 | N03 | C04 | 178.5° | 180.0° |
| C22 | C02 | N03 | H5 | 1.5° | 0.0° |
| C02 | C22 | C23 | H19 | 72.0° | 65.6° |
| C02 | C22 | C23 | H20 | 44.8° | 54.3° |
| C02 | C22 | N31 | H31 | 108.7° | 98.3° |
| C22 | C23 | C24 | H19 | 121.6° | 120.1° |
| C22 | C23 | C24 | H20 | 121.6° | 120.0° |
| C22 | C23 | C24 | N25 | 138.9° | 174.8° |
| C23 | C22 | C02 | N03 | 102.0° | 60.0° |
| C23 | C22 | C02 | O01 | 78.0° | 120.1° |
| C22 | C23 | H19 | H20 | 115.0° | 120.0° |
| C23 | C22 | N31 | H31 | 11.7° | 21.7° |
| C27 | C26 | N25 | C24 | 111.6° | 90.0° |
| C27 | C26 | N25 | H21 | 120.7° | 120.0° |
| C27 | C26 | N25 | H22 | 120.7° | 120.0° |
| C27 | C26 | N25 | C28 | 68.6° | 89.9° |
| C27 | C26 | H21 | H22 | 117.9° | 120.1° |
| C26 | C27 | H23 | H24 | 120.0° | 120.0° |
| C26 | C27 | H23 | H25 | 120.0° | 120.0° |
| C26 | C27 | H24 | H25 | 120.0° | 120.0° |
| O20 | C19 | C04 | H13 | 119.9° | 119.9° |
| O20 | C19 | C04 | H14 | 119.9° | 120.0° |
| O20 | C19 | C04 | N03 | 173.3° | 65.0° |
| O20 | C19 | C04 | C05 | 67.1° | 55.1° |
| O20 | C19 | C04 | H6 | 52.3° | 175.0° |
| O20 | C19 | H13 | H14 | 120.5° | 120.0° |
| C19 | O20 | C21 | H15 | 180.0° | 60.0° |
| C19 | O20 | C21 | H16 | 60.0° | 60.0° |
| C19 | O20 | C21 | H17 | 60.0° | 180.0° |
| C19 | C04 | N03 | C02 | 141.5° | 85.0° |
| C19 | C04 | N03 | C05 | 121.4° | 120.0° |
| C19 | C04 | N03 | H6 | 120.2° | 120.0° |
| C04 | C19 | O20 | C21 | 156.8° | 180.0° |
| C19 | C04 | C05 | H6 | 119.4° | 119.9° |
| C19 | C04 | C05 | O18 | 75.1° | 120.0° |
| C19 | C04 | C05 | N06 | 106.3° | 59.9° |
| C19 | C04 | N03 | H5 | 38.5° | 94.9° |
| C04 | C19 | H13 | H14 | 120.4° | 120.0° |
| C23 | C24 | N25 | C26 | 179.9° | 180.0° |
| C23 | C24 | N25 | C28 | 0.2° | 0.1° |
| C24 | C23 | C22 | H18 | 51.7° | 54.4° |
| C24 | C23 | H19 | H20 | 114.9° | 120.0° |
| C24 | N25 | C26 | C28 | 179.8° | 179.9° |
| C24 | N25 | C28 | C29 | 91.1° | 90.1° |
| N25 | C24 | C23 | H19 | 17.3° | 54.7° |
| N25 | C24 | C23 | H20 | 99.6° | 65.2° |
| C24 | N25 | C26 | H21 | 9.1° | 150.0° |
| C24 | N25 | C26 | H22 | 127.7° | 30.0° |
| C24 | N25 | C28 | H26 | 148.5° | 150.0° |
| C24 | N25 | C28 | H27 | 29.2° | 29.9° |
| C02 | N03 | C04 | H5 | 180.0° | 179.9° |
| C02 | N03 | C04 | C05 | 97.1° | 155.0° |
| C02 | N03 | C04 | H6 | 21.3° | 35.0° |
| N03 | C02 | C22 | H18 | 12.7° | 59.9° |
| O01 | C02 | N03 | C04 | 1.5° | 0.0° |
| O01 | C02 | N03 | H5 | 178.5° | 179.9° |
| O01 | C02 | C22 | H18 | 167.3° | 120.0° |
| N03 | C04 | C05 | H6 | 119.3° | 120.0° |
| N03 | C04 | C05 | O18 | 46.2° | 0.1° |
| N03 | C04 | C05 | N06 | 132.4° | 180.0° |
| N03 | C04 | C19 | H13 | 66.9° | 54.9° |
| N03 | C04 | C19 | H14 | 53.4° | 175.0° |
| C26 | N25 | C28 | C29 | 88.7° | 90.1° |
| N25 | C26 | H21 | H22 | 117.9° | 120.0° |
| N25 | C26 | C27 | H23 | 180.0° | 180.0° |
| N25 | C26 | C27 | H24 | 60.0° | 60.0° |
| N25 | C26 | C27 | H25 | 60.0° | 60.0° |
| C26 | N25 | C28 | H26 | 31.7° | 29.9° |
| C26 | N25 | C28 | H27 | 151.0° | 150.0° |
| C21 | O20 | C19 | H13 | 37.0° | 60.0° |
| C21 | O20 | C19 | H14 | 83.3° | 60.0° |
| O20 | C21 | H15 | H16 | 120.0° | 120.0° |
| O20 | C21 | H15 | H17 | 120.0° | 120.0° |
| O20 | C21 | H16 | H17 | 120.0° | 120.0° |
| N25 | C28 | C29 | H26 | 120.4° | 120.0° |
| N25 | C28 | C29 | H27 | 120.4° | 120.0° |
| C28 | N25 | C26 | H21 | 170.7° | 30.1° |
| C28 | N25 | C26 | H22 | 52.0° | 150.1° |
| N25 | C28 | H26 | H27 | 118.8° | 120.1° |
| N25 | C28 | C29 | H28 | 180.0° | 60.0° |
| N25 | C28 | C29 | H29 | 60.0° | 60.0° |
| N25 | C28 | C29 | H30 | 60.0° | 180.0° |
| C04 | C05 | O18 | N06 | 178.6° | 179.9° |
| C04 | C05 | N06 | C07 | 179.7° | 180.0° |
| C05 | C04 | N03 | H5 | 82.9° | 25.1° |
| C04 | C05 | N06 | H7 | 0.3° | 0.0° |
| C05 | C04 | C19 | H13 | 52.8° | 175.0° |
| C05 | C04 | C19 | H14 | 173.1° | 64.9° |
| C29 | C28 | H26 | H27 | 118.8° | 119.9° |
| C28 | C29 | H28 | H29 | 120.0° | 119.9° |
| C28 | C29 | H28 | H30 | 120.0° | 120.0° |
| C28 | C29 | H29 | H30 | 120.0° | 120.0° |
| O18 | C05 | N06 | C07 | 1.1° | 0.1° |
| O18 | C05 | C04 | H6 | 165.5° | 120.1° |
| O18 | C05 | N06 | H7 | 178.9° | 179.9° |
| C05 | N06 | C07 | H7 | 180.0° | 180.0° |
| C05 | N06 | C07 | C08 | 126.6° | 180.0° |
| N06 | C05 | C04 | H6 | 13.1° | 60.0° |
| C05 | N06 | C07 | H8 | 112.1° | 60.1° |
| C05 | N06 | C07 | H9 | 5.4° | 60.0° |
| N06 | C07 | C08 | H8 | 121.3° | 120.0° |
| N06 | C07 | C08 | H9 | 121.2° | 120.0° |
| N06 | C07 | C08 | C13 | 78.8° | 80.0° |
| N06 | C07 | C08 | C09 | 101.9° | 100.2° |
| N06 | C07 | H8 | H9 | 116.0° | 120.1° |
| C07 | C08 | C13 | C14 | 0.3° | 0.0° |
| C07 | C08 | C13 | C09 | 179.3° | 179.8° |
| C07 | C08 | C13 | C12 | 179.4° | 180.0° |
| C07 | C08 | C09 | C10 | 180.0° | 180.0° |
| C08 | C07 | N06 | H7 | 53.4° | 0.0° |
| C08 | C07 | H8 | H9 | 116.1° | 120.0° |
| C07 | C08 | C09 | H10 | 0.0° | 0.0° |
| C15 | C14 | C13 | H3 | 180.0° | 180.0° |
| C14 | C15 | C16 | H4 | 180.0° | 179.9° |
| C15 | C14 | C13 | C08 | 179.6° | 180.0° |
| C15 | C14 | C13 | C12 | 0.1° | 0.0° |
| C14 | C15 | C16 | C17 | 0.5° | 0.1° |
| C14 | C15 | C16 | H11 | 179.5° | 180.0° |
| C13 | C14 | C15 | C16 | 0.6° | 0.0° |
| C14 | C13 | C08 | C12 | 179.8° | 180.0° |
| C14 | C13 | C08 | C09 | 179.7° | 179.8° |
| C14 | C13 | C12 | C17 | 0.3° | 0.0° |
| C14 | C13 | C12 | C11 | 180.0° | 180.0° |
| C13 | C14 | C15 | H4 | 179.4° | 180.0° |
| C15 | C16 | C17 | H11 | 180.0° | 179.9° |
| C15 | C16 | C17 | C12 | 0.1° | 0.1° |
| C16 | C15 | C14 | H3 | 179.4° | 180.0° |
| C15 | C16 | C17 | H12 | 179.9° | 180.0° |
| C13 | C08 | C09 | C10 | 0.6° | 0.2° |
| C08 | C13 | C12 | C17 | 179.9° | 180.0° |
| C08 | C13 | C12 | C11 | 0.2° | 0.0° |
| C08 | C13 | C14 | H3 | 0.4° | 0.1° |
| C13 | C08 | C07 | H8 | 160.0° | 40.0° |
| C13 | C08 | C07 | H9 | 42.5° | 160.0° |
| C13 | C08 | C09 | H10 | 179.4° | 179.8° |
| C09 | C08 | C13 | C12 | 0.1° | 0.2° |
| C08 | C09 | C10 | H10 | 180.0° | 180.0° |
| C08 | C09 | C10 | C11 | 0.8° | 0.0° |
| C08 | C09 | C10 | H2 | 179.1° | 180.0° |
| C09 | C08 | C07 | H8 | 19.3° | 139.8° |
| C09 | C08 | C07 | H9 | 136.8° | 19.8° |
| C13 | C12 | C17 | C16 | 0.4° | 0.0° |
| C13 | C12 | C17 | C11 | 179.7° | 180.0° |
| C13 | C12 | C11 | C10 | 0.0° | 0.3° |
| C13 | C12 | C11 | H1 | 179.9° | 180.0° |
| C12 | C13 | C14 | H3 | 179.9° | 180.0° |
| C13 | C12 | C17 | H12 | 179.6° | 180.0° |
| C16 | C17 | C12 | H12 | 180.0° | 179.9° |
| C16 | C17 | C12 | C11 | 180.0° | 179.9° |
| C17 | C16 | C15 | H4 | 179.5° | 180.0° |
| C09 | C10 | C11 | C12 | 0.5° | 0.3° |
| C09 | C10 | C11 | H2 | 180.0° | 179.9° |
| C09 | C10 | C11 | H1 | 179.5° | 180.0° |
| C17 | C12 | C11 | C10 | 179.7° | 179.7° |
| C17 | C12 | C11 | H1 | 0.3° | 0.0° |
| C12 | C17 | C16 | H11 | 179.9° | 180.0° |
| C12 | C11 | C10 | H1 | 180.0° | 179.7° |
| C12 | C11 | C10 | H2 | 179.5° | 179.8° |
| C11 | C12 | C17 | H12 | 0.0° | 0.0° |
| C11 | C10 | C09 | H10 | 179.2° | 179.9° |
| H1 | C11 | C10 | H2 | 0.5° | 0.1° |
| H2 | C10 | C09 | H10 | 0.9° | 0.0° |
| H3 | C14 | C15 | H4 | 0.6° | 0.0° |
| H4 | C15 | C16 | H11 | 0.5° | 0.1° |
| H5 | N03 | C04 | H6 | 158.7° | 145.1° |
| H6 | C04 | C19 | H13 | 172.1° | 65.1° |
| H6 | C04 | C19 | H14 | 67.6° | 55.0° |
| H7 | N06 | C07 | H8 | 67.9° | 119.9° |
| H7 | N06 | C07 | H9 | 174.6° | 120.0° |
| H11 | C16 | C17 | H12 | 0.1° | 0.1° |
| H15 | C21 | H16 | H17 | 120.0° | 120.0° |
| H18 | C22 | C23 | H19 | 173.3° | 174.4° |
| H18 | C22 | C23 | H20 | 69.9° | 65.7° |
| H18 | C22 | N31 | H31 | 134.3° | 141.6° |
| H21 | C26 | C27 | H23 | 59.3° | 60.1° |
| H21 | C26 | C27 | H24 | 60.7° | 180.0° |
| H21 | C26 | C27 | H25 | 179.4° | 60.0° |
| H22 | C26 | C27 | H23 | 59.3° | 60.0° |
| H22 | C26 | C27 | H24 | 179.3° | 60.0° |
| H22 | C26 | C27 | H25 | 60.7° | 179.9° |
| H23 | C27 | H24 | H25 | 120.0° | 120.0° |
| H26 | C28 | C29 | H28 | 59.6° | 180.0° |
| H26 | C28 | C29 | H29 | 179.6° | 60.1° |
| H26 | C28 | C29 | H30 | 60.4° | 59.9° |
| H27 | C28 | C29 | H28 | 59.7° | 60.0° |
| H27 | C28 | C29 | H29 | 60.3° | 180.0° |
| H27 | C28 | C29 | H30 | 179.6° | 60.0° |
| H28 | C29 | H29 | H30 | 120.0° | 120.1° |
| H32 | C33 | C34 | H34 | 170.6° | 180.0° |
| H32 | C33 | C34 | H35 | 70.8° | 60.0° |
| H33 | C33 | C34 | H34 | 52.3° | 60.0° |
| H33 | C33 | C34 | H35 | 171.0° | 180.0° |
| H36 | C36 | C37 | H37 | 0.1° | 0.0° |
| H37 | C37 | C38 | H38 | 0.3° | 0.0° |
| H38 | C38 | C39 | H39 | 0.3° | 0.0° |
| H39 | C39 | C40 | H40 | 0.0° | 0.3° |
