XZG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.53Å | 1.54Å | |
| C02 | N03 | sing | 1.47Å | 1.46Å | |
| O42 | C41 | doub | 1.22Å | 1.20Å | |
| N03 | C41 | sing | 1.35Å | 1.35Å | |
| N03 | C04 | sing | 1.38Å | 1.37Å | |
| C41 | N40 | sing | 1.34Å | 1.34Å | |
| N05 | C04 | sing | 1.38Å | 1.48Å | |
| N05 | C06 | sing | 1.37Å | 1.46Å | |
| C04 | C37 | doub | 1.36Å | 1.39Å | |
| C28 | C06 | sing | 1.50Å | 1.55Å | |
| C28 | N10 | sing | 1.47Å | 1.51Å | |
| C06 | C07 | doub | 1.36Å | 1.46Å | |
| N40 | C38 | sing | 1.35Å | 1.34Å | |
| C37 | C38 | sing | 1.41Å | 1.40Å | |
| C37 | C29 | sing | 1.51Å | 1.55Å | |
| C38 | O39 | doub | 1.22Å | 1.21Å | |
| C07 | C29 | sing | 1.51Å | 1.50Å | |
| C07 | C08 | sing | 1.41Å | 1.48Å | |
| N10 | C11 | sing | 1.47Å | 1.48Å | |
| N10 | C08 | sing | 1.35Å | 1.47Å | |
| C11 | C12 | sing | 1.53Å | 1.58Å | |
| C29 | C30 | sing | 1.51Å | 1.52Å | |
| C08 | O09 | doub | 1.22Å | 1.19Å | |
| C31 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | C36 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.53Å | 1.45Å | |
| C12 | C27 | sing | 1.53Å | 1.46Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C32 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C26 | sing | 1.53Å | 1.55Å | |
| C14 | N15 | sing | 1.47Å | 1.45Å | |
| C36 | C35 | doub | 1.38Å | 1.39Å | Aromatic |
| C33 | C35 | sing | 1.38Å | 1.39Å | Aromatic |
| C33 | C34 | sing | 1.51Å | 1.52Å | |
| C26 | N15 | sing | 1.47Å | 1.46Å | |
| N15 | C16 | sing | 1.47Å | 1.22Å | |
| C25 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
| C25 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.51Å | 1.54Å | |
| C24 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| O22 | N21 | sing | 1.22Å | 1.19Å | |
| C20 | N21 | sing | 1.48Å | 1.46Å | |
| C20 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| N21 | O23 | doub | 1.22Å | 1.19Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C24 | H3 | sing | 1.08Å | 1.08Å | |
| C26 | H4 | sing | 1.09Å | 1.10Å | |
| C26 | H5 | sing | 1.09Å | 1.10Å | |
| C28 | H6 | sing | 1.09Å | 1.10Å | |
| C28 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C02 | H11 | sing | 1.09Å | 1.10Å | |
| C02 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.08Å | 1.08Å | |
| C19 | H21 | sing | 1.08Å | 1.08Å | |
| C25 | H22 | sing | 1.08Å | 1.08Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C31 | H25 | sing | 1.08Å | 1.08Å | |
| C32 | H26 | sing | 1.08Å | 1.08Å | |
| C34 | H27 | sing | 1.09Å | 1.10Å | |
| C34 | H28 | sing | 1.09Å | 1.10Å | |
| C34 | H29 | sing | 1.09Å | 1.10Å | |
| C35 | H30 | sing | 1.08Å | 1.08Å | |
| C36 | H31 | sing | 1.08Å | 1.08Å | |
| N40 | H33 | sing | 0.97Å | 1.00Å | |
| C29 | H34 | sing | 1.09Å | 1.10Å | |
| N05 | H35 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | N03 | 115.5° | 109.5° |
| C02 | C01 | H8 | 109.5° | 109.5° |
| C02 | C01 | H9 | 109.4° | 109.5° |
| C02 | C01 | H10 | 109.5° | 109.5° |
| C01 | C02 | H11 | 108.0° | 109.5° |
| C01 | C02 | H12 | 107.9° | 109.5° |
| C02 | N03 | C41 | 119.5° | 119.7° |
| C02 | N03 | C04 | 119.9° | 119.7° |
| N03 | C02 | H11 | 107.9° | 109.4° |
| N03 | C02 | H12 | 108.0° | 109.4° |
| O42 | C41 | N03 | 121.3° | 119.5° |
| O42 | C41 | N40 | 118.5° | 119.6° |
| C41 | N03 | C04 | 120.6° | 120.5° |
| N03 | C41 | N40 | 120.2° | 120.8° |
| N03 | C04 | N05 | 118.6° | 118.6° |
| N03 | C04 | C37 | 118.5° | 119.5° |
| C41 | N40 | C38 | 122.2° | 120.5° |
| C41 | N40 | H33 | 118.9° | 119.8° |
| C04 | N05 | C06 | 117.7° | 118.2° |
| N05 | C04 | C37 | 122.6° | 122.0° |
| C04 | N05 | H35 | 121.2° | 120.9° |
| N05 | C06 | C28 | 134.9° | 130.1° |
| N05 | C06 | C07 | 118.4° | 123.0° |
| C06 | N05 | H35 | 121.1° | 120.9° |
| C04 | C37 | C38 | 119.5° | 118.8° |
| C04 | C37 | C29 | 122.8° | 122.5° |
| C06 | C28 | N10 | 105.6° | 104.7° |
| C28 | C06 | C07 | 106.7° | 106.9° |
| C06 | C28 | H6 | 110.4° | 110.4° |
| C06 | C28 | H7 | 110.4° | 110.4° |
| C28 | N10 | C11 | 128.8° | 126.4° |
| C28 | N10 | C08 | 109.2° | 107.3° |
| N10 | C28 | H6 | 110.4° | 110.3° |
| N10 | C28 | H7 | 110.4° | 110.4° |
| C06 | C07 | C29 | 124.5° | 122.1° |
| C06 | C07 | C08 | 110.6° | 109.9° |
| N40 | C38 | C37 | 118.6° | 119.8° |
| N40 | C38 | O39 | 121.0° | 120.1° |
| C38 | N40 | H33 | 118.9° | 119.7° |
| C38 | C37 | C29 | 117.4° | 118.6° |
| C37 | C38 | O39 | 120.3° | 120.1° |
| C37 | C29 | C07 | 109.9° | 109.4° |
| C37 | C29 | C30 | 115.0° | 109.4° |
| C37 | C29 | H34 | 109.3° | 109.5° |
| C29 | C07 | C08 | 122.8° | 128.0° |
| C07 | C29 | C30 | 103.1° | 109.5° |
| C07 | C29 | H34 | 109.9° | 109.5° |
| C07 | C08 | N10 | 108.0° | 111.2° |
| C07 | C08 | O09 | 122.1° | 124.4° |
| C11 | N10 | C08 | 122.0° | 126.3° |
| N10 | C11 | C12 | 120.3° | 109.5° |
| N10 | C11 | H13 | 106.7° | 109.5° |
| N10 | C11 | H14 | 106.7° | 109.4° |
| N10 | C08 | O09 | 129.9° | 124.4° |
| C11 | C12 | C13 | 114.0° | 109.5° |
| C11 | C12 | C27 | 118.5° | 109.5° |
| C12 | C11 | H13 | 106.7° | 109.5° |
| C12 | C11 | H14 | 106.7° | 109.5° |
| C11 | C12 | H15 | 103.9° | 109.5° |
| C29 | C30 | C31 | 119.9° | 120.0° |
| C29 | C30 | C36 | 120.3° | 120.0° |
| C30 | C29 | H34 | 109.6° | 109.5° |
| C30 | C31 | C32 | 119.6° | 120.0° |
| C31 | C30 | C36 | 119.7° | 120.0° |
| C30 | C31 | H25 | 120.2° | 120.0° |
| C31 | C32 | C33 | 120.6° | 120.0° |
| C32 | C31 | H25 | 120.2° | 120.0° |
| C31 | C32 | H26 | 119.7° | 120.0° |
| C30 | C36 | C35 | 120.7° | 120.0° |
| C30 | C36 | H31 | 119.6° | 119.9° |
| C13 | C12 | C27 | 108.9° | 109.2° |
| C12 | C13 | C14 | 107.3° | 109.3° |
| C12 | C13 | H1 | 110.0° | 109.5° |
| C12 | C13 | H2 | 110.0° | 109.5° |
| C13 | C12 | H15 | 105.1° | 109.5° |
| C12 | C27 | C26 | 112.4° | 109.3° |
| C27 | C12 | H15 | 105.0° | 109.6° |
| C12 | C27 | H23 | 108.7° | 109.5° |
| C12 | C27 | H24 | 108.7° | 109.5° |
| C13 | C14 | N15 | 112.4° | 109.5° |
| C14 | C13 | H1 | 110.0° | 109.5° |
| C14 | C13 | H2 | 110.0° | 109.5° |
| C13 | C14 | H16 | 108.7° | 109.5° |
| C13 | C14 | H17 | 108.7° | 109.5° |
| C32 | C33 | C35 | 120.0° | 120.0° |
| C32 | C33 | C34 | 120.0° | 120.0° |
| C33 | C32 | H26 | 119.7° | 120.0° |
| C27 | C26 | N15 | 115.6° | 109.5° |
| C27 | C26 | H4 | 107.9° | 109.5° |
| C27 | C26 | H5 | 107.9° | 109.4° |
| C26 | C27 | H23 | 108.7° | 109.5° |
| C26 | C27 | H24 | 108.7° | 109.5° |
| C14 | N15 | C26 | 113.0° | 111.2° |
| C14 | N15 | C16 | 112.0° | 110.9° |
| N15 | C14 | H16 | 108.7° | 109.5° |
| N15 | C14 | H17 | 108.8° | 109.5° |
| C36 | C35 | C33 | 119.4° | 120.0° |
| C36 | C35 | H30 | 120.3° | 120.0° |
| C35 | C36 | H31 | 119.6° | 120.0° |
| C35 | C33 | C34 | 120.0° | 120.0° |
| C33 | C35 | H30 | 120.3° | 120.0° |
| C33 | C34 | H27 | 109.5° | 109.5° |
| C33 | C34 | H28 | 109.5° | 109.5° |
| C33 | C34 | H29 | 109.5° | 109.5° |
| C26 | N15 | C16 | 115.8° | 111.0° |
| N15 | C26 | H4 | 107.9° | 109.4° |
| N15 | C26 | H5 | 107.9° | 109.4° |
| N15 | C16 | C17 | 105.4° | 109.5° |
| N15 | C16 | H18 | 110.5° | 109.5° |
| N15 | C16 | H19 | 110.5° | 109.5° |
| C24 | C25 | C17 | 120.9° | 120.0° |
| C25 | C24 | C20 | 119.6° | 120.0° |
| C25 | C24 | H3 | 120.2° | 120.1° |
| C24 | C25 | H22 | 119.5° | 120.0° |
| C25 | C17 | C16 | 123.5° | 120.0° |
| C25 | C17 | C18 | 118.7° | 120.0° |
| C17 | C25 | H22 | 119.5° | 120.0° |
| C16 | C17 | C18 | 117.8° | 120.0° |
| C17 | C16 | H18 | 110.5° | 109.4° |
| C17 | C16 | H19 | 110.5° | 109.4° |
| C24 | C20 | N21 | 123.9° | 120.0° |
| C24 | C20 | C19 | 119.0° | 120.0° |
| C20 | C24 | H3 | 120.2° | 120.0° |
| C17 | C18 | C19 | 120.3° | 120.0° |
| C17 | C18 | H20 | 119.8° | 120.0° |
| O22 | N21 | C20 | 123.2° | 120.0° |
| O22 | N21 | O23 | 119.1° | 120.0° |
| N21 | C20 | C19 | 117.1° | 120.0° |
| C20 | N21 | O23 | 117.7° | 120.0° |
| C20 | C19 | C18 | 121.5° | 120.0° |
| C20 | C19 | H21 | 119.2° | 120.0° |
| C19 | C18 | H20 | 119.8° | 120.0° |
| C18 | C19 | H21 | 119.3° | 120.0° |
| H1 | C13 | H2 | 109.5° | 109.5° |
| H4 | C26 | H5 | 109.5° | 109.5° |
| H6 | C28 | H7 | 109.5° | 110.4° |
| H8 | C01 | H9 | 109.4° | 109.4° |
| H8 | C01 | H10 | 109.5° | 109.4° |
| H9 | C01 | H10 | 109.5° | 109.5° |
| H11 | C02 | H12 | 109.4° | 109.5° |
| H13 | C11 | H14 | 109.5° | 109.5° |
| H16 | C14 | H17 | 109.4° | 109.4° |
| H18 | C16 | H19 | 109.5° | 109.5° |
| H23 | C27 | H24 | 109.5° | 109.6° |
| H27 | C34 | H28 | 109.4° | 109.4° |
| H27 | C34 | H29 | 109.5° | 109.4° |
| H28 | C34 | H29 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | N03 | H11 | 120.9° | 120.0° |
| C01 | C02 | N03 | H12 | 120.9° | 120.0° |
| C01 | C02 | N03 | C41 | 89.3° | 90.0° |
| C01 | C02 | N03 | C04 | 90.6° | 90.0° |
| C02 | C01 | H8 | H9 | 120.0° | 120.0° |
| C02 | C01 | H8 | H10 | 120.0° | 120.0° |
| C02 | C01 | H9 | H10 | 120.0° | 120.1° |
| C01 | C02 | H11 | H12 | 117.2° | 120.0° |
| C02 | N03 | C41 | O42 | 2.4° | 0.1° |
| C02 | N03 | C41 | C04 | 180.0° | 179.9° |
| C02 | N03 | C41 | N40 | 179.2° | 179.9° |
| C02 | N03 | C04 | N05 | 0.4° | 0.7° |
| C02 | N03 | C04 | C37 | 175.1° | 179.6° |
| N03 | C02 | C01 | H8 | 180.0° | 60.0° |
| N03 | C02 | C01 | H9 | 60.0° | 180.0° |
| N03 | C02 | C01 | H10 | 60.0° | 60.0° |
| N03 | C02 | H11 | H12 | 117.3° | 120.0° |
| O42 | C41 | N03 | N40 | 178.4° | 180.0° |
| O42 | C41 | N03 | C04 | 177.5° | 180.0° |
| O42 | C41 | N40 | C38 | 179.9° | 179.9° |
| O42 | C41 | N40 | H33 | 0.2° | 0.2° |
| C41 | N03 | C04 | N05 | 179.7° | 179.3° |
| C41 | N03 | C04 | C37 | 5.0° | 0.3° |
| N03 | C41 | N40 | C38 | 1.4° | 0.1° |
| C41 | N03 | C02 | H11 | 31.6° | 30.0° |
| C41 | N03 | C02 | H12 | 149.8° | 150.0° |
| N03 | C41 | N40 | H33 | 178.6° | 179.8° |
| C04 | N03 | C41 | N40 | 0.9° | 0.0° |
| N03 | C04 | N05 | C37 | 174.5° | 179.7° |
| N03 | C04 | N05 | C06 | 170.0° | 166.4° |
| N03 | C04 | C37 | C38 | 6.8° | 0.5° |
| N03 | C04 | C37 | C29 | 179.1° | 179.3° |
| C04 | N03 | C02 | H11 | 148.5° | 150.0° |
| C04 | N03 | C02 | H12 | 30.3° | 30.0° |
| N03 | C04 | N05 | H35 | 10.0° | 13.6° |
| C41 | N40 | C38 | H33 | 180.0° | 180.0° |
| C41 | N40 | C38 | C37 | 0.5° | 0.0° |
| C41 | N40 | C38 | O39 | 179.5° | 180.0° |
| C04 | N05 | C06 | H35 | 180.0° | 179.9° |
| C04 | N05 | C06 | C28 | 179.0° | 166.1° |
| C04 | N05 | C06 | C07 | 1.5° | 13.6° |
| N05 | C04 | C37 | C38 | 178.7° | 179.2° |
| N05 | C04 | C37 | C29 | 4.6° | 1.0° |
| C06 | N05 | C04 | C37 | 4.4° | 13.2° |
| N05 | C06 | C28 | C07 | 177.7° | 179.7° |
| N05 | C06 | C28 | N10 | 178.1° | 179.6° |
| N05 | C06 | C07 | C29 | 17.4° | 0.5° |
| N05 | C06 | C07 | C08 | 178.7° | 179.6° |
| N05 | C06 | C28 | H6 | 58.7° | 60.8° |
| N05 | C06 | C28 | H7 | 62.5° | 61.6° |
| C04 | C37 | C38 | N40 | 4.7° | 0.3° |
| C04 | C37 | C38 | C29 | 174.4° | 179.8° |
| C04 | C37 | C38 | O39 | 176.3° | 179.7° |
| C04 | C37 | C29 | C07 | 17.5° | 13.3° |
| C04 | C37 | C29 | C30 | 98.1° | 106.7° |
| C04 | C37 | C29 | H34 | 138.2° | 133.2° |
| C37 | C04 | N05 | H35 | 175.6° | 166.7° |
| C06 | C28 | N10 | H6 | 119.4° | 118.8° |
| C06 | C28 | N10 | H7 | 119.4° | 118.8° |
| C28 | C06 | C07 | C29 | 164.4° | 179.8° |
| C28 | C06 | C07 | C08 | 0.5° | 0.2° |
| C06 | C28 | N10 | C11 | 179.8° | 180.0° |
| C06 | C28 | N10 | C08 | 0.0° | 0.1° |
| C06 | C28 | H6 | H7 | 121.8° | 122.4° |
| C28 | C06 | N05 | H35 | 1.0° | 13.9° |
| N10 | C28 | C06 | C07 | 0.3° | 0.2° |
| C28 | N10 | C08 | C07 | 0.4° | 0.0° |
| C28 | N10 | C11 | C08 | 179.8° | 179.9° |
| C28 | N10 | C11 | C12 | 169.2° | 90.0° |
| C28 | N10 | C08 | O09 | 179.3° | 180.0° |
| N10 | C28 | H6 | H7 | 121.8° | 122.3° |
| C28 | N10 | C11 | H13 | 69.3° | 30.1° |
| C28 | N10 | C11 | H14 | 47.7° | 150.0° |
| C06 | C07 | C29 | C37 | 24.2° | 13.0° |
| C06 | C07 | C29 | C08 | 162.0° | 180.0° |
| C06 | C07 | C08 | N10 | 0.6° | 0.1° |
| C06 | C07 | C29 | C30 | 98.8° | 106.9° |
| C06 | C07 | C08 | O09 | 179.1° | 179.9° |
| C07 | C06 | C28 | H6 | 119.1° | 118.9° |
| C07 | C06 | C28 | H7 | 119.7° | 118.7° |
| C06 | C07 | C29 | H34 | 144.5° | 133.0° |
| C07 | C06 | N05 | H35 | 178.5° | 166.4° |
| N40 | C38 | C37 | O39 | 179.0° | 180.0° |
| N40 | C38 | C37 | C29 | 179.1° | 179.5° |
| C38 | C37 | C29 | C07 | 168.3° | 166.9° |
| C38 | C37 | C29 | C30 | 76.1° | 73.1° |
| C37 | C38 | N40 | H33 | 179.5° | 180.0° |
| C38 | C37 | C29 | H34 | 47.6° | 47.0° |
| C29 | C37 | C38 | O39 | 1.9° | 0.5° |
| C37 | C29 | C07 | C30 | 123.0° | 119.9° |
| C37 | C29 | C07 | H34 | 120.3° | 120.0° |
| C37 | C29 | C07 | C08 | 173.8° | 167.0° |
| C37 | C29 | C30 | H34 | 123.5° | 120.1° |
| C37 | C29 | C30 | C31 | 77.2° | 59.7° |
| C37 | C29 | C30 | C36 | 105.5° | 120.1° |
| O39 | C38 | N40 | H33 | 0.4° | 0.1° |
| C29 | C07 | C08 | N10 | 164.8° | 179.8° |
| C07 | C29 | C30 | H34 | 117.0° | 120.0° |
| C29 | C07 | C08 | O09 | 14.9° | 0.1° |
| C07 | C29 | C30 | C31 | 42.3° | 60.2° |
| C07 | C29 | C30 | C36 | 135.0° | 120.0° |
| C07 | C08 | N10 | C11 | 179.4° | 179.9° |
| C07 | C08 | N10 | O09 | 179.7° | 180.0° |
| C08 | C07 | C29 | C30 | 63.2° | 73.1° |
| C08 | C07 | C29 | H34 | 53.5° | 47.0° |
| N10 | C11 | C12 | H13 | 121.5° | 120.0° |
| N10 | C11 | C12 | H14 | 121.5° | 119.9° |
| C11 | N10 | C08 | O09 | 0.9° | 0.1° |
| N10 | C11 | C12 | C13 | 85.4° | 175.0° |
| N10 | C11 | C12 | C27 | 44.8° | 65.3° |
| C11 | N10 | C28 | H6 | 60.4° | 61.1° |
| C11 | N10 | C28 | H7 | 60.8° | 61.2° |
| N10 | C11 | H13 | H14 | 115.1° | 119.9° |
| N10 | C11 | C12 | H15 | 160.8° | 54.9° |
| C08 | N10 | C11 | C12 | 11.0° | 89.9° |
| C08 | N10 | C28 | H6 | 119.4° | 118.9° |
| C08 | N10 | C28 | H7 | 119.4° | 118.7° |
| C08 | N10 | C11 | H13 | 110.5° | 150.0° |
| C08 | N10 | C11 | H14 | 132.5° | 30.1° |
| C11 | C12 | C13 | C27 | 134.8° | 119.9° |
| C11 | C12 | C13 | H15 | 113.1° | 120.1° |
| C11 | C12 | C27 | H15 | 115.3° | 120.2° |
| C11 | C12 | C13 | C14 | 154.2° | 62.3° |
| C11 | C12 | C27 | C26 | 160.2° | 62.2° |
| C11 | C12 | C13 | H1 | 86.2° | 57.6° |
| C11 | C12 | C13 | H2 | 34.5° | 177.8° |
| C12 | C11 | H13 | H14 | 115.1° | 120.1° |
| C11 | C12 | C27 | H23 | 79.3° | 57.7° |
| C11 | C12 | C27 | H24 | 39.8° | 177.8° |
| C29 | C30 | C31 | C36 | 177.3° | 179.8° |
| C29 | C30 | C31 | C32 | 178.4° | 179.9° |
| C29 | C30 | C36 | C35 | 179.3° | 179.8° |
| C29 | C30 | C31 | H25 | 1.7° | 0.1° |
| C29 | C30 | C36 | H31 | 0.7° | 0.0° |
| C30 | C31 | C32 | H25 | 180.0° | 179.9° |
| C30 | C31 | C32 | C33 | 0.1° | 0.1° |
| C31 | C30 | C36 | C35 | 2.0° | 0.5° |
| C30 | C31 | C32 | H26 | 179.9° | 180.0° |
| C31 | C30 | C36 | H31 | 178.0° | 179.7° |
| C31 | C30 | C29 | H34 | 159.2° | 179.7° |
| C32 | C31 | C30 | C36 | 1.1° | 0.3° |
| C31 | C32 | C33 | H26 | 180.0° | 180.0° |
| C31 | C32 | C33 | C35 | 0.0° | 0.0° |
| C31 | C32 | C33 | C34 | 179.9° | 180.0° |
| C30 | C36 | C35 | H31 | 180.0° | 179.8° |
| C30 | C36 | C35 | C33 | 1.9° | 0.5° |
| C36 | C30 | C31 | H25 | 178.9° | 179.8° |
| C30 | C36 | C35 | H30 | 178.2° | 179.8° |
| C36 | C30 | C29 | H34 | 18.0° | 0.0° |
| C13 | C12 | C27 | H15 | 112.2° | 120.0° |
| C12 | C13 | C14 | H1 | 119.7° | 119.9° |
| C12 | C13 | C14 | H2 | 119.7° | 120.0° |
| C13 | C12 | C27 | C26 | 27.7° | 57.6° |
| C12 | C13 | C14 | N15 | 56.3° | 59.2° |
| C12 | C13 | H1 | H2 | 121.0° | 120.2° |
| C13 | C12 | C11 | H13 | 36.2° | 55.0° |
| C13 | C12 | C11 | H14 | 153.1° | 65.1° |
| C12 | C13 | C14 | H16 | 176.8° | 60.9° |
| C12 | C13 | C14 | H17 | 64.2° | 179.2° |
| C13 | C12 | C27 | H23 | 148.2° | 177.6° |
| C13 | C12 | C27 | H24 | 92.7° | 62.3° |
| C27 | C12 | C13 | C14 | 71.1° | 57.6° |
| C12 | C27 | C26 | H23 | 120.4° | 120.0° |
| C12 | C27 | C26 | H24 | 120.5° | 119.9° |
| C12 | C27 | C26 | N15 | 30.4° | 59.2° |
| C27 | C12 | C13 | H1 | 48.6° | 177.5° |
| C27 | C12 | C13 | H2 | 169.3° | 62.3° |
| C12 | C27 | C26 | H4 | 151.2° | 179.2° |
| C12 | C27 | C26 | H5 | 90.5° | 60.8° |
| C27 | C12 | C11 | H13 | 166.4° | 174.7° |
| C27 | C12 | C11 | H14 | 76.7° | 54.6° |
| C12 | C27 | H23 | H24 | 118.7° | 120.1° |
| C13 | C14 | N15 | H16 | 120.5° | 120.0° |
| C13 | C14 | N15 | H17 | 120.4° | 120.0° |
| C13 | C14 | N15 | C26 | 1.9° | 61.8° |
| C13 | C14 | N15 | C16 | 134.8° | 174.2° |
| C14 | C13 | H1 | H2 | 121.0° | 120.1° |
| C14 | C13 | C12 | H15 | 41.1° | 177.7° |
| C13 | C14 | H16 | H17 | 118.6° | 120.0° |
| C32 | C33 | C35 | C36 | 0.9° | 0.2° |
| C32 | C33 | C35 | C34 | 179.9° | 180.0° |
| C33 | C32 | C31 | H25 | 179.9° | 180.0° |
| C32 | C33 | C34 | H27 | 90.1° | 90.0° |
| C32 | C33 | C34 | H28 | 149.9° | 150.0° |
| C32 | C33 | C34 | H29 | 30.0° | 29.9° |
| C32 | C33 | C35 | H30 | 179.2° | 180.0° |
| C27 | C26 | N15 | C14 | 45.0° | 61.8° |
| C27 | C26 | N15 | H4 | 120.9° | 120.0° |
| C27 | C26 | N15 | H5 | 120.9° | 120.0° |
| C27 | C26 | N15 | C16 | 176.0° | 174.2° |
| C27 | C26 | H4 | H5 | 117.2° | 120.0° |
| C26 | C27 | C12 | H15 | 84.4° | 177.6° |
| C26 | C27 | H23 | H24 | 118.6° | 120.1° |
| C14 | N15 | C26 | C16 | 131.0° | 124.0° |
| C14 | N15 | C16 | C17 | 67.9° | 65.8° |
| N15 | C14 | C13 | H1 | 63.4° | 179.1° |
| N15 | C14 | C13 | H2 | 175.9° | 60.8° |
| C14 | N15 | C26 | H4 | 165.9° | 178.2° |
| C14 | N15 | C26 | H5 | 75.8° | 58.2° |
| N15 | C14 | H16 | H17 | 118.7° | 120.0° |
| C14 | N15 | C16 | H18 | 172.7° | 54.2° |
| C14 | N15 | C16 | H19 | 51.4° | 174.2° |
| C36 | C35 | C33 | H30 | 180.0° | 179.7° |
| C36 | C35 | C33 | C34 | 179.0° | 179.8° |
| C35 | C33 | C32 | H26 | 180.0° | 180.0° |
| C35 | C33 | C34 | H27 | 90.0° | 90.0° |
| C35 | C33 | C34 | H28 | 29.9° | 30.0° |
| C35 | C33 | C34 | H29 | 149.9° | 150.0° |
| C33 | C35 | C36 | H31 | 178.1° | 179.8° |
| C34 | C33 | C32 | H26 | 0.1° | 0.0° |
| C33 | C34 | H27 | H28 | 120.0° | 120.0° |
| C33 | C34 | H27 | H29 | 120.0° | 120.0° |
| C33 | C34 | H28 | H29 | 120.0° | 120.1° |
| C34 | C33 | C35 | H30 | 0.9° | 0.0° |
| C26 | N15 | C16 | C17 | 160.6° | 170.0° |
| N15 | C26 | H4 | H5 | 117.2° | 119.9° |
| C26 | N15 | C14 | H16 | 118.6° | 58.3° |
| C26 | N15 | C14 | H17 | 122.3° | 178.2° |
| C26 | N15 | C16 | H18 | 41.3° | 70.0° |
| C26 | N15 | C16 | H19 | 80.0° | 50.0° |
| N15 | C26 | C27 | H23 | 90.1° | 179.1° |
| N15 | C26 | C27 | H24 | 150.8° | 60.7° |
| N15 | C16 | C17 | C25 | 112.1° | 90.3° |
| N15 | C16 | C17 | H18 | 119.4° | 120.0° |
| N15 | C16 | C17 | H19 | 119.4° | 120.0° |
| N15 | C16 | C17 | C18 | 66.7° | 90.0° |
| C16 | N15 | C26 | H4 | 63.1° | 54.2° |
| C16 | N15 | C26 | H5 | 55.1° | 65.8° |
| C16 | N15 | C14 | H16 | 14.3° | 65.8° |
| C16 | N15 | C14 | H17 | 104.8° | 54.2° |
| N15 | C16 | H18 | H19 | 121.9° | 120.0° |
| C24 | C25 | C17 | H22 | 180.0° | 179.5° |
| C24 | C25 | C17 | C16 | 178.6° | 179.7° |
| C25 | C24 | C20 | H3 | 180.0° | 179.8° |
| C24 | C25 | C17 | C18 | 0.2° | 0.0° |
| C25 | C24 | C20 | N21 | 179.0° | 179.7° |
| C25 | C24 | C20 | C19 | 0.7° | 0.7° |
| C25 | C17 | C16 | C18 | 178.8° | 179.7° |
| C17 | C25 | C24 | C20 | 0.3° | 0.5° |
| C25 | C17 | C18 | C19 | 0.3° | 0.3° |
| C17 | C25 | C24 | H3 | 179.7° | 179.7° |
| C25 | C17 | C16 | H18 | 128.5° | 29.7° |
| C25 | C17 | C16 | H19 | 7.3° | 149.7° |
| C25 | C17 | C18 | H20 | 179.7° | 179.7° |
| C16 | C17 | C18 | C19 | 178.5° | 180.0° |
| C17 | C16 | H18 | H19 | 121.9° | 119.9° |
| C16 | C17 | C18 | H20 | 1.4° | 0.0° |
| C16 | C17 | C25 | H22 | 1.4° | 0.2° |
| C24 | C20 | N21 | O22 | 18.4° | 0.5° |
| C24 | C20 | N21 | C19 | 178.3° | 179.6° |
| C24 | C20 | C19 | C18 | 0.7° | 0.4° |
| C24 | C20 | N21 | O23 | 161.5° | 179.5° |
| C24 | C20 | C19 | H21 | 179.4° | 179.5° |
| C20 | C24 | C25 | H22 | 179.7° | 180.0° |
| C17 | C18 | C19 | C20 | 0.1° | 0.1° |
| C17 | C18 | C19 | H20 | 180.0° | 179.9° |
| C18 | C17 | C16 | H18 | 52.6° | 150.0° |
| C18 | C17 | C16 | H19 | 173.9° | 30.0° |
| C17 | C18 | C19 | H21 | 179.9° | 180.0° |
| C18 | C17 | C25 | H22 | 179.8° | 179.5° |
| O22 | N21 | C20 | O23 | 179.9° | 180.0° |
| O22 | N21 | C20 | C19 | 163.3° | 180.0° |
| N21 | C20 | C19 | C18 | 179.0° | 180.0° |
| N21 | C20 | C24 | H3 | 1.0° | 0.0° |
| N21 | C20 | C19 | H21 | 1.0° | 0.1° |
| C20 | C19 | C18 | H21 | 180.0° | 179.9° |
| C19 | C20 | N21 | O23 | 16.8° | 0.1° |
| C19 | C20 | C24 | H3 | 179.3° | 179.5° |
| C20 | C19 | C18 | H20 | 179.9° | 179.9° |
| H1 | C13 | C12 | H15 | 160.7° | 62.4° |
| H1 | C13 | C14 | H16 | 57.1° | 59.1° |
| H1 | C13 | C14 | H17 | 176.2° | 60.9° |
| H2 | C13 | C12 | H15 | 78.6° | 57.7° |
| H2 | C13 | C14 | H16 | 63.6° | 179.2° |
| H2 | C13 | C14 | H17 | 55.5° | 59.2° |
| H3 | C24 | C25 | H22 | 0.3° | 0.2° |
| H4 | C26 | C27 | H23 | 30.8° | 60.9° |
| H4 | C26 | C27 | H24 | 88.3° | 59.3° |
| H5 | C26 | C27 | H23 | 149.1° | 59.1° |
| H5 | C26 | C27 | H24 | 30.0° | 179.3° |
| H8 | C01 | H9 | H10 | 120.0° | 119.9° |
| H8 | C01 | C02 | H11 | 59.1° | NaN° |
| H8 | C01 | C02 | H12 | 59.1° | 60.0° |
| H9 | C01 | C02 | H11 | 60.9° | 60.0° |
| H9 | C01 | C02 | H12 | 179.1° | 60.0° |
| H10 | C01 | C02 | H11 | 179.1° | 60.0° |
| H10 | C01 | C02 | H12 | 60.9° | 180.0° |
| H13 | C11 | C12 | H15 | 77.7° | 65.1° |
| H14 | C11 | C12 | H15 | 39.3° | 174.9° |
| H15 | C12 | C27 | H23 | 36.0° | 62.4° |
| H15 | C12 | C27 | H24 | 155.1° | 57.7° |
| H20 | C18 | C19 | H21 | 0.1° | 0.1° |
| H25 | C31 | C32 | H26 | 0.1° | 0.1° |
| H27 | C34 | H28 | H29 | 120.0° | 119.9° |
| H30 | C35 | C36 | H31 | 1.9° | 0.0° |
