XA4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N17 | C18 | doub | 1.31Å | 1.39Å | Aromatic |
| N17 | N15 | sing | 1.40Å | 1.39Å | Aromatic |
| C18 | C06 | sing | 1.41Å | 1.48Å | Aromatic |
| C16 | N15 | sing | 1.46Å | 1.50Å | |
| N15 | C07 | sing | 1.35Å | 1.36Å | Aromatic |
| C06 | C07 | doub | 1.38Å | 1.42Å | Aromatic |
| C06 | C05 | sing | 1.48Å | 1.52Å | |
| N19 | C05 | doub | 1.33Å | 1.37Å | Aromatic |
| N19 | C20 | sing | 1.32Å | 1.37Å | Aromatic |
| C21 | C20 | sing | 1.51Å | 1.53Å | |
| C07 | O08 | sing | 1.36Å | 1.42Å | |
| C05 | C04 | sing | 1.39Å | 1.44Å | Aromatic |
| C20 | C22 | doub | 1.38Å | 1.42Å | Aromatic |
| O08 | C09 | sing | 1.43Å | 1.45Å | |
| C04 | C03 | doub | 1.40Å | 1.43Å | Aromatic |
| C22 | C03 | sing | 1.40Å | 1.39Å | Aromatic |
| C09 | C10 | sing | 1.53Å | 1.58Å | |
| C03 | C02 | sing | 1.49Å | 1.49Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C02 | O01 | doub | 1.22Å | 1.28Å | |
| C02 | N23 | sing | 1.37Å | 1.40Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| N23 | C24 | doub | 1.34Å | 1.28Å | |
| C12 | C14 | sing | 1.53Å | 1.55Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C14 | N25 | sing | 1.46Å | 1.50Å | |
| C24 | N25 | sing | 1.36Å | 1.44Å | |
| C24 | N40 | sing | 1.36Å | 1.44Å | |
| N25 | C26 | sing | 1.39Å | 1.40Å | |
| N40 | C39 | sing | 1.39Å | 1.39Å | |
| C26 | C39 | doub | 1.40Å | 1.40Å | Aromatic |
| C26 | C27 | sing | 1.39Å | 1.40Å | Aromatic |
| C39 | C38 | sing | 1.39Å | 1.41Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.41Å | Aromatic |
| C38 | C37 | doub | 1.38Å | 1.41Å | Aromatic |
| C28 | C37 | sing | 1.39Å | 1.41Å | Aromatic |
| C28 | C29 | sing | 1.51Å | 1.53Å | |
| C29 | N30 | sing | 1.47Å | 1.50Å | |
| N30 | C36 | sing | 1.47Å | 1.49Å | |
| N30 | C31 | sing | 1.47Å | 1.50Å | |
| C36 | C35 | sing | 1.53Å | 1.52Å | |
| C31 | C32 | sing | 1.53Å | 1.53Å | |
| C35 | N33 | sing | 1.47Å | 1.49Å | |
| C32 | N33 | sing | 1.47Å | 1.50Å | |
| N33 | C34 | sing | 1.47Å | 1.46Å | |
| C18 | H1 | sing | 1.08Å | 1.08Å | |
| C16 | H2 | sing | 1.09Å | 1.10Å | |
| C16 | H3 | sing | 1.09Å | 1.10Å | |
| C16 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | 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 | 1.08Å | 1.08Å | |
| C27 | H19 | sing | 1.08Å | 1.08Å | |
| C29 | H20 | sing | 1.09Å | 1.10Å | |
| C29 | H21 | sing | 1.09Å | 1.10Å | |
| C31 | H23 | sing | 1.09Å | 1.10Å | |
| C31 | H24 | sing | 1.09Å | 1.10Å | |
| C04 | H25 | sing | 1.08Å | 1.08Å | |
| C09 | H26 | sing | 1.09Å | 1.10Å | |
| C09 | H27 | sing | 1.09Å | 1.10Å | |
| C32 | H28 | sing | 1.09Å | 1.10Å | |
| C32 | H29 | sing | 1.09Å | 1.10Å | |
| C34 | H30 | sing | 1.09Å | 1.10Å | |
| C34 | H31 | sing | 1.09Å | 1.10Å | |
| C34 | H32 | sing | 1.09Å | 1.10Å | |
| C35 | H33 | sing | 1.09Å | 1.10Å | |
| C35 | H34 | sing | 1.09Å | 1.10Å | |
| C36 | H35 | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| N40 | H22 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | N17 | N15 | 106.4° | 108.9° |
| N17 | C18 | C06 | 111.3° | 108.3° |
| N17 | C18 | H1 | 124.3° | 125.8° |
| N17 | N15 | C16 | 122.4° | 125.9° |
| N17 | N15 | C07 | 108.8° | 108.2° |
| C18 | C06 | C07 | 100.4° | 107.3° |
| C18 | C06 | C05 | 124.8° | 127.5° |
| C06 | C18 | H1 | 124.3° | 125.9° |
| C16 | N15 | C07 | 128.9° | 125.9° |
| N15 | C16 | H2 | 109.5° | 109.5° |
| N15 | C16 | H3 | 109.5° | 109.5° |
| N15 | C16 | H4 | 109.4° | 109.5° |
| N15 | C07 | C06 | 113.0° | 107.3° |
| N15 | C07 | O08 | 124.3° | 127.2° |
| C07 | C06 | C05 | 134.8° | 125.1° |
| C06 | C07 | O08 | 122.7° | 125.5° |
| C06 | C05 | N19 | 122.2° | 120.9° |
| C06 | C05 | C04 | 119.5° | 118.4° |
| C05 | N19 | C20 | 120.8° | 121.7° |
| N19 | C05 | C04 | 118.3° | 120.7° |
| N19 | C20 | C21 | 118.7° | 119.4° |
| N19 | C20 | C22 | 121.5° | 121.2° |
| C21 | C20 | C22 | 119.8° | 119.4° |
| C20 | C21 | H15 | 109.5° | 109.5° |
| C20 | C21 | H16 | 109.5° | 109.5° |
| C20 | C21 | H17 | 109.5° | 109.5° |
| C07 | O08 | C09 | 121.2° | 118.0° |
| C05 | C04 | C03 | 122.0° | 118.9° |
| C05 | C04 | H25 | 119.0° | 120.6° |
| C20 | C22 | C03 | 120.5° | 119.0° |
| C20 | C22 | H18 | 119.7° | 120.5° |
| O08 | C09 | C10 | 110.9° | 109.8° |
| O08 | C09 | H26 | 109.1° | 109.4° |
| O08 | C09 | H27 | 109.1° | 109.4° |
| C04 | C03 | C22 | 116.9° | 118.4° |
| C04 | C03 | C02 | 116.5° | 119.3° |
| C03 | C04 | H25 | 119.0° | 120.5° |
| C22 | C03 | C02 | 126.3° | 122.3° |
| C03 | C22 | H18 | 119.7° | 120.4° |
| C09 | C10 | C11 | 118.7° | 109.7° |
| C09 | C10 | H11 | 107.1° | 109.4° |
| C09 | C10 | H12 | 107.1° | 109.4° |
| C10 | C09 | H26 | 109.1° | 109.4° |
| C10 | C09 | H27 | 109.1° | 109.4° |
| C03 | C02 | O01 | 120.0° | 122.3° |
| C03 | C02 | N23 | 125.6° | 115.5° |
| C10 | C11 | C12 | 114.1° | 109.6° |
| C11 | C10 | H11 | 107.1° | 109.4° |
| C11 | C10 | H12 | 107.1° | 109.4° |
| C10 | C11 | H13 | 108.3° | 109.5° |
| C10 | C11 | H14 | 108.3° | 109.5° |
| O01 | C02 | N23 | 114.3° | 122.2° |
| C02 | N23 | C24 | 128.8° | 115.2° |
| C11 | C12 | C14 | 107.9° | 109.7° |
| C11 | C12 | C13 | 114.4° | 109.4° |
| C11 | C12 | H10 | 107.8° | 109.5° |
| C12 | C11 | H13 | 108.3° | 109.4° |
| C12 | C11 | H14 | 108.3° | 109.4° |
| N23 | C24 | N25 | 128.3° | 124.2° |
| N23 | C24 | N40 | 126.5° | 126.3° |
| C14 | C12 | C13 | 111.1° | 109.5° |
| C12 | C14 | N25 | 120.1° | 109.8° |
| C12 | C14 | H5 | 106.7° | 109.4° |
| C12 | C14 | H6 | 106.8° | 109.3° |
| C14 | C12 | H10 | 107.6° | 109.4° |
| C12 | C13 | H7 | 109.5° | 109.5° |
| C12 | C13 | H8 | 109.5° | 109.5° |
| C12 | C13 | H9 | 109.5° | 109.5° |
| C13 | C12 | H10 | 107.8° | 109.4° |
| C14 | N25 | C24 | 118.8° | 125.9° |
| C14 | N25 | C26 | 132.3° | 125.9° |
| N25 | C14 | H5 | 106.8° | 109.4° |
| N25 | C14 | H6 | 106.7° | 109.4° |
| N25 | C24 | N40 | 104.7° | 109.4° |
| C24 | N25 | C26 | 108.9° | 108.2° |
| C24 | N40 | C39 | 109.6° | 108.1° |
| C24 | N40 | H22 | 125.2° | 125.9° |
| N25 | C26 | C39 | 108.6° | 107.0° |
| N25 | C26 | C27 | 130.5° | 132.9° |
| N40 | C39 | C26 | 108.1° | 107.2° |
| N40 | C39 | C38 | 131.1° | 133.1° |
| C39 | N40 | H22 | 125.2° | 126.0° |
| C39 | C26 | C27 | 120.9° | 120.0° |
| C26 | C39 | C38 | 120.8° | 119.7° |
| C26 | C27 | C28 | 119.9° | 119.8° |
| C26 | C27 | H19 | 120.0° | 120.1° |
| C39 | C38 | C37 | 117.3° | 119.8° |
| C39 | C38 | H38 | 121.3° | 120.1° |
| C27 | C28 | C37 | 118.4° | 120.2° |
| C27 | C28 | C29 | 119.4° | 120.0° |
| C28 | C27 | H19 | 120.1° | 120.1° |
| C38 | C37 | C28 | 122.7° | 120.4° |
| C38 | C37 | H37 | 118.7° | 119.7° |
| C37 | C38 | H38 | 121.4° | 120.1° |
| C37 | C28 | C29 | 122.2° | 119.8° |
| C28 | C37 | H37 | 118.6° | 119.8° |
| C28 | C29 | N30 | 106.2° | 109.5° |
| C28 | C29 | H20 | 110.3° | 109.5° |
| C28 | C29 | H21 | 110.3° | 109.4° |
| C29 | N30 | C36 | 110.4° | 111.0° |
| C29 | N30 | C31 | 113.0° | 111.0° |
| N30 | C29 | H20 | 110.3° | 109.5° |
| N30 | C29 | H21 | 110.3° | 109.5° |
| C36 | N30 | C31 | 113.0° | 110.8° |
| N30 | C36 | C35 | 115.4° | 109.4° |
| N30 | C36 | H35 | 108.0° | 109.5° |
| N30 | C36 | H36 | 108.0° | 109.5° |
| N30 | C31 | C32 | 116.0° | 109.4° |
| N30 | C31 | H23 | 107.8° | 109.5° |
| N30 | C31 | H24 | 107.8° | 109.5° |
| C36 | C35 | N33 | 111.0° | 109.3° |
| C36 | C35 | H33 | 109.1° | 109.5° |
| C36 | C35 | H34 | 109.1° | 109.5° |
| C35 | C36 | H35 | 108.0° | 109.5° |
| C35 | C36 | H36 | 107.9° | 109.5° |
| C31 | C32 | N33 | 111.1° | 109.4° |
| C32 | C31 | H23 | 107.8° | 109.4° |
| C32 | C31 | H24 | 107.8° | 109.5° |
| C31 | C32 | H28 | 109.1° | 109.5° |
| C31 | C32 | H29 | 109.1° | 109.5° |
| C35 | N33 | C32 | 109.9° | 110.9° |
| C35 | N33 | C34 | 106.4° | 111.0° |
| N33 | C35 | H33 | 109.1° | 109.5° |
| N33 | C35 | H34 | 109.1° | 109.5° |
| C32 | N33 | C34 | 106.4° | 111.0° |
| N33 | C32 | H28 | 109.1° | 109.5° |
| N33 | C32 | H29 | 109.1° | 109.5° |
| N33 | C34 | H30 | 109.5° | 109.4° |
| N33 | C34 | H31 | 109.5° | 109.5° |
| N33 | C34 | H32 | 109.4° | 109.4° |
| H2 | C16 | H3 | 109.4° | 109.4° |
| H2 | C16 | H4 | 109.5° | 109.5° |
| H3 | C16 | H4 | 109.5° | 109.5° |
| H5 | C14 | H6 | 109.5° | 109.4° |
| H7 | C13 | H8 | 109.5° | 109.4° |
| H7 | C13 | H9 | 109.4° | 109.4° |
| H8 | C13 | H9 | 109.5° | 109.5° |
| H11 | C10 | H12 | 109.5° | 109.4° |
| H13 | C11 | H14 | 109.5° | 109.4° |
| H15 | C21 | H16 | 109.5° | 109.5° |
| H15 | C21 | H17 | 109.5° | 109.5° |
| H16 | C21 | H17 | 109.5° | 109.4° |
| H20 | C29 | H21 | 109.5° | 109.4° |
| H23 | C31 | H24 | 109.5° | 109.5° |
| H26 | C09 | H27 | 109.5° | 109.4° |
| H28 | C32 | H29 | 109.5° | 109.5° |
| H30 | C34 | H31 | 109.4° | 109.5° |
| H30 | C34 | H32 | 109.5° | 109.5° |
| H31 | C34 | H32 | 109.5° | 109.5° |
| H33 | C35 | H34 | 109.5° | 109.5° |
| H35 | C36 | H36 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N17 | C18 | C06 | H1 | 180.0° | 179.7° |
| C18 | N17 | N15 | C16 | 180.0° | 179.8° |
| C18 | N17 | N15 | C07 | 0.2° | 0.4° |
| N17 | C18 | C06 | C07 | 0.7° | 0.2° |
| N17 | C18 | C06 | C05 | 179.2° | 179.5° |
| N15 | N17 | C18 | C06 | 0.3° | 0.4° |
| N17 | N15 | C16 | C07 | 179.8° | 179.7° |
| N17 | N15 | C07 | C06 | 0.6° | 0.3° |
| N17 | N15 | C07 | O08 | 180.0° | 179.6° |
| N15 | N17 | C18 | H1 | 179.7° | 179.9° |
| N17 | N15 | C16 | H2 | 0.0° | 107.4° |
| N17 | N15 | C16 | H3 | 120.0° | 12.5° |
| N17 | N15 | C16 | H4 | 120.0° | 132.5° |
| C18 | C06 | C07 | N15 | 0.8° | 0.0° |
| C18 | C06 | C07 | C05 | 178.4° | 179.7° |
| C18 | C06 | C05 | N19 | 9.4° | 2.9° |
| C18 | C06 | C07 | O08 | 179.8° | 179.9° |
| C18 | C06 | C05 | C04 | 171.2° | 177.4° |
| C16 | N15 | C07 | C06 | 179.5° | 180.0° |
| C16 | N15 | C07 | O08 | 0.1° | 0.1° |
| N15 | C16 | H2 | H3 | 120.0° | 120.0° |
| N15 | C16 | H2 | H4 | 120.0° | 120.0° |
| N15 | C16 | H3 | H4 | 120.0° | 120.0° |
| N15 | C07 | C06 | O08 | 179.4° | 179.9° |
| N15 | C07 | C06 | C05 | 179.1° | 179.7° |
| N15 | C07 | O08 | C09 | 77.9° | 5.0° |
| C07 | N15 | C16 | H2 | 179.8° | 72.3° |
| C07 | N15 | C16 | H3 | 60.2° | 167.7° |
| C07 | N15 | C16 | H4 | 59.8° | 47.7° |
| C07 | C06 | C05 | N19 | 168.7° | 176.7° |
| C07 | C06 | C05 | C04 | 10.8° | 3.0° |
| C06 | C07 | O08 | C09 | 102.7° | 175.1° |
| C07 | C06 | C18 | H1 | 179.3° | 179.9° |
| C06 | C05 | N19 | C04 | 179.4° | 179.7° |
| C06 | C05 | N19 | C20 | 179.3° | 178.9° |
| C05 | C06 | C07 | O08 | 1.4° | 0.2° |
| C06 | C05 | C04 | C03 | 179.0° | 178.8° |
| C05 | C06 | C18 | H1 | 0.7° | 0.2° |
| C06 | C05 | C04 | H25 | 1.0° | 1.2° |
| C05 | N19 | C20 | C21 | 179.7° | 180.0° |
| C05 | N19 | C20 | C22 | 0.2° | 0.0° |
| N19 | C05 | C04 | C03 | 1.5° | 0.9° |
| N19 | C05 | C04 | H25 | 178.5° | 179.1° |
| N19 | C20 | C21 | C22 | 179.8° | 179.9° |
| C20 | N19 | C05 | C04 | 0.2° | 0.7° |
| N19 | C20 | C22 | C03 | 1.5° | 0.6° |
| N19 | C20 | C21 | H15 | 0.0° | 90.0° |
| N19 | C20 | C21 | H16 | 120.0° | 150.0° |
| N19 | C20 | C21 | H17 | 120.0° | 30.0° |
| N19 | C20 | C22 | H18 | 178.4° | 179.4° |
| C21 | C20 | C22 | C03 | 178.6° | 179.5° |
| C20 | C21 | H15 | H16 | 120.0° | 120.0° |
| C20 | C21 | H15 | H17 | 120.0° | 120.0° |
| C20 | C21 | H16 | H17 | 120.0° | 120.0° |
| C21 | C20 | C22 | H18 | 1.4° | 0.5° |
| C07 | O08 | C09 | C10 | 142.5° | 166.4° |
| C07 | O08 | C09 | H26 | 97.2° | 46.4° |
| C07 | O08 | C09 | H27 | 22.4° | 73.5° |
| C05 | C04 | C03 | H25 | 180.0° | 180.0° |
| C05 | C04 | C03 | C22 | 3.1° | 0.3° |
| C05 | C04 | C03 | C02 | 177.0° | 179.0° |
| C20 | C22 | C03 | C04 | 3.1° | 0.4° |
| C20 | C22 | C03 | H18 | 180.0° | 180.0° |
| C20 | C22 | C03 | C02 | 176.2° | 179.7° |
| C22 | C20 | C21 | H15 | 179.8° | 89.9° |
| C22 | C20 | C21 | H16 | 59.8° | 30.1° |
| C22 | C20 | C21 | H17 | 60.2° | 150.0° |
| O08 | C09 | C10 | H26 | 120.2° | 120.1° |
| O08 | C09 | C10 | H27 | 120.2° | 120.1° |
| O08 | C09 | C10 | C11 | 69.8° | 51.2° |
| O08 | C09 | C10 | H11 | 169.0° | 68.9° |
| O08 | C09 | C10 | H12 | 51.6° | 171.3° |
| O08 | C09 | H26 | H27 | 119.4° | 119.9° |
| C04 | C03 | C22 | C02 | 173.2° | 179.3° |
| C04 | C03 | C02 | O01 | 167.1° | 171.9° |
| C04 | C03 | C02 | N23 | 16.7° | 8.1° |
| C04 | C03 | C22 | H18 | 176.9° | 179.6° |
| C22 | C03 | C02 | O01 | 19.7° | 7.4° |
| C22 | C03 | C02 | N23 | 156.5° | 172.6° |
| C22 | C03 | C04 | H25 | 176.9° | 179.7° |
| C09 | C10 | C11 | H11 | 121.3° | 120.1° |
| C09 | C10 | C11 | H12 | 121.3° | 120.1° |
| C09 | C10 | C11 | C12 | 53.0° | 177.6° |
| C09 | C10 | H11 | H12 | 115.8° | 119.9° |
| C09 | C10 | C11 | H13 | 173.6° | 57.5° |
| C09 | C10 | C11 | H14 | 67.7° | 62.4° |
| C10 | C09 | H26 | H27 | 119.3° | 119.9° |
| C03 | C02 | O01 | N23 | 176.6° | 180.0° |
| C03 | C02 | N23 | C24 | 172.9° | 173.6° |
| C02 | C03 | C22 | H18 | 3.7° | 0.3° |
| C02 | C03 | C04 | H25 | 3.0° | 1.0° |
| C10 | C11 | C12 | H13 | 120.7° | 120.1° |
| C10 | C11 | C12 | H14 | 120.7° | 120.1° |
| C10 | C11 | C12 | C14 | 157.1° | 78.4° |
| C10 | C11 | C12 | C13 | 78.7° | 41.6° |
| C10 | C11 | C12 | H10 | 41.2° | 161.5° |
| C11 | C10 | H11 | H12 | 115.8° | 119.8° |
| C10 | C11 | H13 | H14 | 117.9° | 119.9° |
| C11 | C10 | C09 | H26 | 50.5° | 171.3° |
| C11 | C10 | C09 | H27 | 170.0° | 68.9° |
| O01 | C02 | N23 | C24 | 3.5° | 6.4° |
| C02 | N23 | C24 | N25 | 167.4° | 177.6° |
| C02 | N23 | C24 | N40 | 22.2° | 3.7° |
| C11 | C12 | C14 | C13 | 126.2° | 120.1° |
| C11 | C12 | C14 | H10 | 116.0° | 120.1° |
| C11 | C12 | C13 | H10 | 119.9° | 119.9° |
| C11 | C12 | C14 | N25 | 167.9° | 97.3° |
| C11 | C12 | C14 | H5 | 70.6° | 142.6° |
| C11 | C12 | C14 | H6 | 46.4° | 22.8° |
| C11 | C12 | C13 | H7 | 180.0° | 179.8° |
| C11 | C12 | C13 | H8 | 60.0° | 59.8° |
| C11 | C12 | C13 | H9 | 60.0° | 60.2° |
| C12 | C11 | C10 | H11 | 68.3° | 62.3° |
| C12 | C11 | C10 | H12 | 174.3° | 57.5° |
| C12 | C11 | H13 | H14 | 117.9° | 119.9° |
| N23 | C24 | N25 | C14 | 6.8° | 3.2° |
| N23 | C24 | N25 | N40 | 172.0° | 178.8° |
| N23 | C24 | N25 | C26 | 174.7° | 177.0° |
| N23 | C24 | N40 | C39 | 175.0° | 176.8° |
| N23 | C24 | N40 | H22 | 5.1° | 3.1° |
| C14 | C12 | C13 | H10 | 117.7° | 119.8° |
| C12 | C14 | N25 | H5 | 121.5° | 120.1° |
| C12 | C14 | N25 | H6 | 121.5° | 120.0° |
| C12 | C14 | N25 | C24 | 71.4° | 90.3° |
| C12 | C14 | N25 | C26 | 110.4° | 89.9° |
| C12 | C14 | H5 | H6 | 115.2° | 119.7° |
| C14 | C12 | C13 | H7 | 57.5° | 60.0° |
| C14 | C12 | C13 | H8 | 177.5° | 179.9° |
| C14 | C12 | C13 | H9 | 62.5° | 60.0° |
| C14 | C12 | C11 | H13 | 82.2° | 161.5° |
| C14 | C12 | C11 | H14 | 36.4° | 41.6° |
| C13 | C12 | C14 | N25 | 65.9° | 142.6° |
| C13 | C12 | C14 | H5 | 55.6° | 22.5° |
| C13 | C12 | C14 | H6 | 172.6° | 97.3° |
| C12 | C13 | H7 | H8 | 120.0° | 120.0° |
| C12 | C13 | H7 | H9 | 120.0° | 120.0° |
| C12 | C13 | H8 | H9 | 120.0° | 120.1° |
| C13 | C12 | C11 | H13 | 42.0° | 78.4° |
| C13 | C12 | C11 | H14 | 160.6° | 161.7° |
| C14 | N25 | C24 | C26 | 178.6° | 179.8° |
| C14 | N25 | C24 | N40 | 178.8° | 178.0° |
| C14 | N25 | C26 | C39 | 180.0° | 178.8° |
| C14 | N25 | C26 | C27 | 0.0° | 1.5° |
| N25 | C14 | H5 | H6 | 115.2° | 119.9° |
| N25 | C14 | C12 | H10 | 51.9° | 22.8° |
| N25 | C24 | N40 | C39 | 2.7° | 1.9° |
| C24 | N25 | C26 | C39 | 1.6° | 1.0° |
| C24 | N25 | C26 | C27 | 178.3° | 178.7° |
| C24 | N25 | C14 | H5 | 167.1° | 149.6° |
| C24 | N25 | C14 | H6 | 50.1° | 29.6° |
| N25 | C24 | N40 | H22 | 177.3° | 178.1° |
| N40 | C24 | N25 | C26 | 2.6° | 1.8° |
| C24 | N40 | C39 | H22 | 180.0° | 180.0° |
| C24 | N40 | C39 | C26 | 1.8° | 1.3° |
| C24 | N40 | C39 | C38 | 178.2° | 178.5° |
| N25 | C26 | C39 | N40 | 0.1° | 0.1° |
| N25 | C26 | C39 | C27 | 179.9° | 179.8° |
| N25 | C26 | C39 | C38 | 179.9° | 179.6° |
| N25 | C26 | C27 | C28 | 179.6° | 179.4° |
| C26 | N25 | C14 | H5 | 11.1° | 30.2° |
| C26 | N25 | C14 | H6 | 128.1° | 150.1° |
| N25 | C26 | C27 | H19 | 0.4° | 0.6° |
| N40 | C39 | C26 | C38 | 179.9° | 179.8° |
| N40 | C39 | C26 | C27 | 179.9° | 179.9° |
| N40 | C39 | C38 | C37 | 180.0° | 179.6° |
| N40 | C39 | C38 | H38 | 0.0° | 0.4° |
| C39 | C26 | C27 | C28 | 0.3° | 0.2° |
| C26 | C39 | C38 | C37 | 0.1° | 0.1° |
| C39 | C26 | C27 | H19 | 179.7° | 179.7° |
| C26 | C39 | C38 | H38 | 179.9° | 179.9° |
| C26 | C39 | N40 | H22 | 178.2° | 178.8° |
| C27 | C26 | C39 | C38 | 0.0° | 0.1° |
| C26 | C27 | C28 | H19 | 180.0° | 180.0° |
| C26 | C27 | C28 | C37 | 0.6° | 0.1° |
| C26 | C27 | C28 | C29 | 179.2° | 179.9° |
| C39 | C38 | C37 | H38 | 180.0° | 180.0° |
| C39 | C38 | C37 | C28 | 0.2° | 0.2° |
| C39 | C38 | C37 | H37 | 179.8° | 179.8° |
| C38 | C39 | N40 | H22 | 1.7° | 1.5° |
| C27 | C28 | C37 | C38 | 0.5° | 0.1° |
| C27 | C28 | C37 | C29 | 178.5° | 179.9° |
| C27 | C28 | C29 | N30 | 67.8° | 90.0° |
| C27 | C28 | C29 | H20 | 51.7° | 150.0° |
| C27 | C28 | C29 | H21 | 172.7° | 30.0° |
| C27 | C28 | C37 | H37 | 179.5° | 179.9° |
| C38 | C37 | C28 | H37 | 180.0° | 180.0° |
| C38 | C37 | C28 | C29 | 179.1° | 179.9° |
| C37 | C28 | C29 | N30 | 110.8° | 90.0° |
| C37 | C28 | C27 | H19 | 179.4° | 179.8° |
| C37 | C28 | C29 | H20 | 129.8° | 30.1° |
| C37 | C28 | C29 | H21 | 8.8° | 150.0° |
| C28 | C37 | C38 | H38 | 179.8° | 179.8° |
| C28 | C29 | N30 | H20 | 119.5° | 120.1° |
| C28 | C29 | N30 | H21 | 119.5° | 120.0° |
| C28 | C29 | N30 | C36 | 152.6° | 170.1° |
| C28 | C29 | N30 | C31 | 79.8° | 66.2° |
| C29 | C28 | C27 | H19 | 0.8° | 0.1° |
| C28 | C29 | H20 | H21 | 121.5° | 120.0° |
| C29 | C28 | C37 | H37 | 0.9° | 0.2° |
| C29 | N30 | C36 | C31 | 127.6° | 123.8° |
| C29 | N30 | C36 | C35 | 169.1° | 176.8° |
| C29 | N30 | C31 | C32 | 166.2° | 176.8° |
| N30 | C29 | H20 | H21 | 121.5° | 120.0° |
| C29 | N30 | C31 | H23 | 45.3° | 63.3° |
| C29 | N30 | C31 | H24 | 72.9° | 56.8° |
| C29 | N30 | C36 | H35 | 70.1° | 56.9° |
| C29 | N30 | C36 | H36 | 48.2° | 63.2° |
| N30 | C36 | C35 | H35 | 120.9° | 119.9° |
| N30 | C36 | C35 | H36 | 120.9° | 120.0° |
| C36 | N30 | C31 | C32 | 40.0° | 59.3° |
| N30 | C36 | C35 | N33 | 52.2° | 58.5° |
| C36 | N30 | C29 | H20 | 33.2° | 50.0° |
| C36 | N30 | C29 | H21 | 87.9° | 70.0° |
| C36 | N30 | C31 | H23 | 80.9° | 60.6° |
| C36 | N30 | C31 | H24 | 160.9° | 179.3° |
| N30 | C36 | C35 | H33 | 68.1° | 61.5° |
| N30 | C36 | C35 | H34 | 172.4° | 178.4° |
| N30 | C36 | H35 | H36 | 117.3° | 120.1° |
| C31 | N30 | C36 | C35 | 41.4° | 59.4° |
| N30 | C31 | C32 | H23 | 120.9° | 119.9° |
| N30 | C31 | C32 | H24 | 120.9° | 120.0° |
| N30 | C31 | C32 | N33 | 48.8° | 58.4° |
| C31 | N30 | C29 | H20 | 160.8° | 173.7° |
| C31 | N30 | C29 | H21 | 39.8° | 53.8° |
| N30 | C31 | H23 | H24 | 117.0° | 120.1° |
| N30 | C31 | C32 | H28 | 169.0° | 178.4° |
| N30 | C31 | C32 | H29 | 71.4° | 61.6° |
| C31 | N30 | C36 | H35 | 162.3° | 179.3° |
| C31 | N30 | C36 | H36 | 79.4° | 60.6° |
| C36 | C35 | N33 | H33 | 120.2° | 120.0° |
| C36 | C35 | N33 | H34 | 120.2° | 120.0° |
| C36 | C35 | N33 | C32 | 59.6° | 59.4° |
| C36 | C35 | N33 | C34 | 174.4° | 176.8° |
| C36 | C35 | H33 | H34 | 119.3° | 120.1° |
| C35 | C36 | H35 | H36 | 117.3° | 120.1° |
| C31 | C32 | N33 | C35 | 57.8° | 59.3° |
| C31 | C32 | N33 | H28 | 120.2° | 120.0° |
| C31 | C32 | N33 | H29 | 120.2° | 119.9° |
| C31 | C32 | N33 | C34 | 172.6° | 176.8° |
| C32 | C31 | H23 | H24 | 117.1° | 120.1° |
| C31 | C32 | H28 | H29 | 119.3° | 120.0° |
| C35 | N33 | C32 | C34 | 114.8° | 123.8° |
| C35 | N33 | C32 | H28 | 178.0° | 179.3° |
| C35 | N33 | C32 | H29 | 62.4° | 60.6° |
| C35 | N33 | C34 | H30 | 180.0° | 63.8° |
| C35 | N33 | C34 | H31 | 60.0° | 56.2° |
| C35 | N33 | C34 | H32 | 60.0° | 176.2° |
| N33 | C35 | H33 | H34 | 119.3° | 120.0° |
| N33 | C35 | C36 | H35 | 173.1° | 178.4° |
| N33 | C35 | C36 | H36 | 68.7° | 61.5° |
| N33 | C32 | C31 | H23 | 72.1° | 61.5° |
| N33 | C32 | C31 | H24 | 169.7° | 178.4° |
| N33 | C32 | H28 | H29 | 119.3° | 120.1° |
| C32 | N33 | C34 | H30 | 62.8° | 60.0° |
| C32 | N33 | C34 | H31 | 57.2° | 180.0° |
| C32 | N33 | C34 | H32 | 177.1° | 60.0° |
| C32 | N33 | C35 | H33 | 60.6° | 60.6° |
| C32 | N33 | C35 | H34 | 179.8° | 179.3° |
| C34 | N33 | C32 | H28 | 67.2° | 56.9° |
| C34 | N33 | C32 | H29 | 52.3° | 63.2° |
| N33 | C34 | H30 | H31 | 120.0° | 120.0° |
| N33 | C34 | H30 | H32 | 120.0° | 119.9° |
| N33 | C34 | H31 | H32 | 120.0° | 119.9° |
| C34 | N33 | C35 | H33 | 54.1° | 63.2° |
| C34 | N33 | C35 | H34 | 65.4° | 56.8° |
| H2 | C16 | H3 | H4 | 120.0° | 120.0° |
| H5 | C14 | C12 | H10 | 173.4° | 97.3° |
| H6 | C14 | C12 | H10 | 69.6° | 142.9° |
| H7 | C13 | H8 | H9 | 119.9° | 119.9° |
| H7 | C13 | C12 | H10 | 60.2° | 59.9° |
| H8 | C13 | C12 | H10 | 59.9° | 60.1° |
| H9 | C13 | C12 | H10 | 179.9° | 179.9° |
| H10 | C12 | C11 | H13 | 161.9° | 41.5° |
| H10 | C12 | C11 | H14 | 79.4° | 78.4° |
| H11 | C10 | C11 | H13 | 52.3° | 177.6° |
| H11 | C10 | C11 | H14 | 171.0° | 57.7° |
| H11 | C10 | C09 | H26 | 70.8° | 51.2° |
| H11 | C10 | C09 | H27 | 48.8° | 171.0° |
| H12 | C10 | C11 | H13 | 65.1° | 62.5° |
| H12 | C10 | C11 | H14 | 53.6° | 177.6° |
| H12 | C10 | C09 | H26 | 171.8° | 68.7° |
| H12 | C10 | C09 | H27 | 68.6° | 51.1° |
| H15 | C21 | H16 | H17 | 120.0° | 120.0° |
| H23 | C31 | C32 | H28 | 48.1° | 58.5° |
| H23 | C31 | C32 | H29 | 167.6° | 178.5° |
| H24 | C31 | C32 | H28 | 70.1° | 61.6° |
| H24 | C31 | C32 | H29 | 49.5° | 58.4° |
| H30 | C34 | H31 | H32 | 120.0° | 120.1° |
| H33 | C35 | C36 | H35 | 52.8° | 58.4° |
| H33 | C35 | C36 | H36 | 171.1° | 178.5° |
| H34 | C35 | C36 | H35 | 66.7° | 61.6° |
| H34 | C35 | C36 | H36 | 51.6° | 58.4° |
| H37 | C37 | C38 | H38 | 0.2° | 0.2° |
