X9B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL01 | C02 | sing | 1.74Å | 1.75Å | |
| C33 | O32 | sing | 1.43Å | 1.41Å | |
| C02 | C07 | doub | 1.38Å | 1.39Å | Aromatic |
| C02 | C03 | sing | 1.39Å | 1.39Å | Aromatic |
| O32 | C03 | sing | 1.36Å | 1.37Å | |
| C07 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C03 | C04 | doub | 1.39Å | 1.44Å | Aromatic |
| O18 | C14 | doub | 1.22Å | 1.21Å | |
| C06 | C05 | doub | 1.38Å | 1.39Å | Aromatic |
| C04 | C05 | sing | 1.39Å | 1.41Å | Aromatic |
| C04 | N08 | sing | 1.40Å | 1.40Å | |
| C14 | N15 | sing | 1.35Å | 1.42Å | |
| C14 | C13 | sing | 1.47Å | 1.47Å | |
| N15 | C16 | sing | 1.46Å | 1.46Å | |
| N08 | C09 | sing | 1.40Å | 1.43Å | |
| C13 | C09 | sing | 1.45Å | 1.45Å | Aromatic |
| C13 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C09 | C10 | doub | 1.37Å | 1.43Å | Aromatic |
| C16 | C17 | sing | 1.53Å | 1.57Å | |
| C12 | C17 | sing | 1.51Å | 1.51Å | |
| C12 | N11 | sing | 1.33Å | 1.39Å | Aromatic |
| C10 | N11 | sing | 1.38Å | 1.43Å | Aromatic |
| C10 | C19 | sing | 1.47Å | 1.51Å | |
| C24 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | C19 | sing | 1.40Å | 1.41Å | Aromatic |
| C23 | N22 | sing | 1.32Å | 1.34Å | Aromatic |
| C19 | C20 | doub | 1.41Å | 1.44Å | Aromatic |
| N22 | C21 | doub | 1.32Å | 1.34Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.42Å | Aromatic |
| C20 | O25 | sing | 1.36Å | 1.37Å | |
| C26 | O25 | sing | 1.43Å | 1.42Å | |
| C26 | C27 | sing | 1.53Å | 1.59Å | |
| C28 | C27 | sing | 1.53Å | 1.54Å | |
| O30 | C27 | sing | 1.43Å | 1.42Å | |
| O30 | C31 | sing | 1.43Å | 1.42Å | |
| C27 | C29 | sing | 1.53Å | 1.56Å | |
| C16 | H1 | sing | 1.09Å | 1.10Å | |
| C16 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C05 | H5 | sing | 1.08Å | 1.08Å | |
| C06 | H6 | sing | 1.08Å | 1.08Å | |
| C07 | H7 | sing | 1.08Å | 1.08Å | |
| C21 | H8 | sing | 1.08Å | 1.08Å | |
| C23 | H9 | sing | 1.08Å | 1.08Å | |
| C24 | H10 | sing | 1.08Å | 1.08Å | |
| C26 | H11 | sing | 1.09Å | 1.10Å | |
| C26 | H12 | sing | 1.09Å | 1.10Å | |
| C28 | H13 | sing | 1.09Å | 1.10Å | |
| C28 | H14 | sing | 1.09Å | 1.10Å | |
| C28 | H15 | sing | 1.09Å | 1.10Å | |
| C29 | H16 | sing | 1.09Å | 1.10Å | |
| C29 | H17 | sing | 1.09Å | 1.10Å | |
| C29 | H18 | sing | 1.09Å | 1.10Å | |
| C31 | H19 | sing | 1.09Å | 1.10Å | |
| C31 | H20 | sing | 1.09Å | 1.10Å | |
| C31 | H21 | sing | 1.09Å | 1.10Å | |
| C33 | H22 | sing | 1.09Å | 1.10Å | |
| C33 | H23 | sing | 1.09Å | 1.10Å | |
| C33 | H24 | sing | 1.09Å | 1.10Å | |
| N08 | H25 | sing | 0.97Å | 1.00Å | |
| N11 | H26 | sing | 0.97Å | 1.00Å | |
| N15 | H27 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL01 | C02 | C07 | 113.3° | 120.0° |
| CL01 | C02 | C03 | 123.2° | 120.0° |
| C33 | O32 | C03 | 116.5° | 117.0° |
| O32 | C33 | H22 | 109.5° | 109.5° |
| O32 | C33 | H23 | 109.5° | 109.4° |
| O32 | C33 | H24 | 109.4° | 109.5° |
| C07 | C02 | C03 | 123.5° | 120.0° |
| C02 | C07 | C06 | 117.2° | 120.2° |
| C02 | C07 | H7 | 121.4° | 119.9° |
| C02 | C03 | O32 | 121.3° | 120.1° |
| C02 | C03 | C04 | 119.5° | 119.8° |
| O32 | C03 | C04 | 119.2° | 120.1° |
| C07 | C06 | C05 | 121.1° | 120.1° |
| C07 | C06 | H6 | 119.5° | 120.0° |
| C06 | C07 | H7 | 121.4° | 119.9° |
| C03 | C04 | C05 | 116.1° | 119.8° |
| C03 | C04 | N08 | 123.1° | 120.1° |
| O18 | C14 | N15 | 117.4° | 121.8° |
| O18 | C14 | C13 | 124.0° | 121.7° |
| C06 | C05 | C04 | 122.6° | 120.0° |
| C06 | C05 | H5 | 118.7° | 120.0° |
| C05 | C06 | H6 | 119.5° | 119.9° |
| C05 | C04 | N08 | 120.8° | 120.1° |
| C04 | C05 | H5 | 118.7° | 120.0° |
| C04 | N08 | C09 | 131.0° | 120.0° |
| C04 | N08 | H25 | 114.5° | 120.0° |
| N15 | C14 | C13 | 118.6° | 116.6° |
| C14 | N15 | C16 | 123.1° | 122.6° |
| C14 | N15 | H27 | 118.4° | 118.6° |
| C14 | C13 | C09 | 131.3° | 132.0° |
| C14 | C13 | C12 | 119.5° | 121.0° |
| N15 | C16 | C17 | 113.1° | 113.0° |
| N15 | C16 | H1 | 108.6° | 108.7° |
| N15 | C16 | H2 | 108.5° | 108.7° |
| C16 | N15 | H27 | 118.4° | 118.8° |
| N08 | C09 | C13 | 126.2° | 127.1° |
| N08 | C09 | C10 | 126.7° | 127.1° |
| C09 | N08 | H25 | 114.5° | 120.0° |
| C09 | C13 | C12 | 109.2° | 106.9° |
| C13 | C09 | C10 | 107.1° | 105.8° |
| C13 | C12 | C17 | 122.6° | 120.8° |
| C13 | C12 | N11 | 106.8° | 108.4° |
| C09 | C10 | N11 | 105.4° | 108.6° |
| C09 | C10 | C19 | 131.5° | 125.7° |
| C16 | C17 | C12 | 112.5° | 108.8° |
| C17 | C16 | H1 | 108.6° | 108.7° |
| C17 | C16 | H2 | 108.6° | 108.8° |
| C16 | C17 | H3 | 108.7° | 109.6° |
| C16 | C17 | H4 | 108.7° | 109.6° |
| C17 | C12 | N11 | 130.6° | 130.8° |
| C12 | C17 | H3 | 108.7° | 109.6° |
| C12 | C17 | H4 | 108.7° | 109.6° |
| C12 | N11 | C10 | 111.5° | 110.2° |
| C12 | N11 | H26 | 124.3° | 124.9° |
| N11 | C10 | C19 | 123.1° | 125.6° |
| C10 | N11 | H26 | 124.2° | 124.9° |
| C10 | C19 | C24 | 117.7° | 121.0° |
| C10 | C19 | C20 | 128.7° | 121.0° |
| C23 | C24 | C19 | 123.4° | 119.1° |
| C24 | C23 | N22 | 122.5° | 121.1° |
| C24 | C23 | H9 | 118.7° | 119.5° |
| C23 | C24 | H10 | 118.3° | 120.4° |
| C24 | C19 | C20 | 113.6° | 118.0° |
| C19 | C24 | H10 | 118.3° | 120.5° |
| C23 | N22 | C21 | 116.2° | 122.1° |
| N22 | C23 | H9 | 118.7° | 119.4° |
| C19 | C20 | C21 | 118.8° | 118.9° |
| C19 | C20 | O25 | 122.0° | 120.5° |
| N22 | C21 | C20 | 125.5° | 120.9° |
| N22 | C21 | H8 | 117.3° | 119.5° |
| C21 | C20 | O25 | 119.2° | 120.6° |
| C20 | C21 | H8 | 117.3° | 119.6° |
| C20 | O25 | C26 | 122.0° | 117.0° |
| O25 | C26 | C27 | 110.0° | 109.5° |
| O25 | C26 | H11 | 109.3° | 109.5° |
| O25 | C26 | H12 | 109.3° | 109.5° |
| C26 | C27 | C28 | 109.8° | 109.4° |
| C26 | C27 | O30 | 107.9° | 109.5° |
| C26 | C27 | C29 | 109.7° | 109.5° |
| C27 | C26 | H11 | 109.4° | 109.5° |
| C27 | C26 | H12 | 109.4° | 109.5° |
| C28 | C27 | O30 | 109.6° | 109.5° |
| C28 | C27 | C29 | 108.7° | 109.5° |
| C27 | C28 | H13 | 109.5° | 109.5° |
| C27 | C28 | H14 | 109.5° | 109.5° |
| C27 | C28 | H15 | 109.4° | 109.5° |
| C27 | O30 | C31 | 118.5° | 114.0° |
| O30 | C27 | C29 | 111.1° | 109.5° |
| O30 | C31 | H19 | 109.5° | 109.5° |
| O30 | C31 | H20 | 109.5° | 109.5° |
| O30 | C31 | H21 | 109.5° | 109.4° |
| C27 | C29 | H16 | 109.5° | 109.5° |
| C27 | C29 | H17 | 109.5° | 109.5° |
| C27 | C29 | H18 | 109.5° | 109.5° |
| H1 | C16 | H2 | 109.5° | 108.7° |
| H3 | C17 | H4 | 109.5° | 109.7° |
| H11 | C26 | H12 | 109.5° | 109.4° |
| H13 | C28 | H14 | 109.5° | 109.4° |
| H13 | C28 | H15 | 109.5° | 109.4° |
| H14 | C28 | H15 | 109.5° | 109.5° |
| H16 | C29 | H17 | 109.5° | 109.5° |
| H16 | C29 | H18 | 109.5° | 109.4° |
| H17 | C29 | H18 | 109.4° | 109.4° |
| H19 | C31 | H20 | 109.5° | 109.5° |
| H19 | C31 | H21 | 109.4° | 109.5° |
| H20 | C31 | H21 | 109.5° | 109.5° |
| H22 | C33 | H23 | 109.4° | 109.5° |
| H22 | C33 | H24 | 109.5° | 109.5° |
| H23 | C33 | H24 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL01 | C02 | C07 | C03 | 179.6° | 179.7° |
| CL01 | C02 | C03 | O32 | 0.8° | 0.3° |
| CL01 | C02 | C07 | C06 | 179.5° | 179.7° |
| CL01 | C02 | C03 | C04 | 179.8° | 179.7° |
| CL01 | C02 | C07 | H7 | 0.5° | 0.2° |
| C33 | O32 | C03 | C02 | 100.4° | 90.0° |
| C33 | O32 | C03 | C04 | 78.6° | 90.0° |
| O32 | C33 | H22 | H23 | 120.0° | 120.0° |
| O32 | C33 | H22 | H24 | 120.0° | 120.0° |
| O32 | C33 | H23 | H24 | 120.0° | 120.0° |
| C07 | C02 | C03 | O32 | 179.7° | 180.0° |
| C02 | C07 | C06 | H7 | 180.0° | 180.0° |
| C07 | C02 | C03 | C04 | 0.6° | 0.0° |
| C02 | C07 | C06 | C05 | 0.7° | 0.0° |
| C02 | C07 | C06 | H6 | 179.3° | 179.9° |
| C02 | C03 | O32 | C04 | 179.0° | 179.9° |
| C03 | C02 | C07 | C06 | 0.1° | 0.0° |
| C02 | C03 | C04 | C05 | 0.7° | 0.0° |
| C02 | C03 | C04 | N08 | 179.9° | 179.9° |
| C03 | C02 | C07 | H7 | 179.9° | 179.9° |
| O32 | C03 | C04 | C05 | 179.8° | 179.9° |
| O32 | C03 | C04 | N08 | 1.1° | 0.0° |
| C03 | O32 | C33 | H22 | 180.0° | 180.0° |
| C03 | O32 | C33 | H23 | 60.0° | 60.0° |
| C03 | O32 | C33 | H24 | 60.0° | 60.0° |
| C07 | C06 | C05 | H6 | 180.0° | 179.9° |
| C07 | C06 | C05 | C04 | 0.6° | 0.0° |
| C07 | C06 | C05 | H5 | 179.4° | 180.0° |
| C03 | C04 | C05 | C06 | 0.1° | 0.0° |
| C03 | C04 | C05 | N08 | 179.2° | 179.9° |
| C03 | C04 | N08 | C09 | 159.7° | 172.3° |
| C03 | C04 | C05 | H5 | 179.9° | 180.0° |
| C03 | C04 | N08 | H25 | 20.3° | 7.6° |
| O18 | C14 | N15 | C13 | 179.4° | 180.0° |
| O18 | C14 | N15 | C16 | 179.9° | 171.8° |
| O18 | C14 | C13 | C09 | 13.4° | 12.7° |
| O18 | C14 | C13 | C12 | 166.2° | 167.3° |
| O18 | C14 | N15 | H27 | 0.0° | 8.1° |
| C06 | C05 | C04 | H5 | 180.0° | 180.0° |
| C06 | C05 | C04 | N08 | 179.3° | 180.0° |
| C05 | C06 | C07 | H7 | 179.3° | 180.0° |
| C05 | C04 | N08 | C09 | 21.2° | 7.7° |
| C04 | C05 | C06 | H6 | 179.4° | 180.0° |
| C05 | C04 | N08 | H25 | 158.8° | 172.4° |
| C04 | N08 | C09 | H25 | 180.0° | 179.9° |
| C04 | N08 | C09 | C13 | 104.6° | 57.1° |
| C04 | N08 | C09 | C10 | 76.8° | 122.9° |
| N08 | C04 | C05 | H5 | 0.7° | 0.0° |
| C14 | N15 | C16 | H27 | 180.0° | 180.0° |
| N15 | C14 | C13 | C09 | 165.9° | 167.3° |
| N15 | C14 | C13 | C12 | 14.4° | 12.7° |
| C14 | N15 | C16 | C17 | 25.2° | 39.2° |
| C14 | N15 | C16 | H1 | 95.4° | 160.0° |
| C14 | N15 | C16 | H2 | 145.7° | 81.7° |
| C13 | C14 | N15 | C16 | 0.5° | 8.2° |
| C14 | C13 | C09 | N08 | 1.1° | 0.1° |
| C14 | C13 | C09 | C12 | 179.7° | 180.0° |
| C14 | C13 | C09 | C10 | 180.0° | 179.9° |
| C14 | C13 | C12 | C17 | 0.1° | 0.1° |
| C14 | C13 | C12 | N11 | 180.0° | 179.8° |
| C13 | C14 | N15 | H27 | 179.4° | 171.9° |
| N15 | C16 | C17 | H1 | 120.6° | 120.8° |
| N15 | C16 | C17 | H2 | 120.5° | 120.9° |
| N15 | C16 | C17 | C12 | 36.4° | 46.5° |
| N15 | C16 | H1 | H2 | 118.3° | 118.2° |
| N15 | C16 | C17 | H3 | 156.8° | 166.3° |
| N15 | C16 | C17 | H4 | 84.0° | 73.3° |
| N08 | C09 | C13 | C10 | 178.8° | 180.0° |
| N08 | C09 | C13 | C12 | 179.2° | 179.9° |
| N08 | C09 | C10 | N11 | 179.1° | 180.0° |
| N08 | C09 | C10 | C19 | 0.3° | 0.1° |
| C09 | C13 | C12 | C17 | 179.6° | 179.8° |
| C09 | C13 | C12 | N11 | 0.3° | 0.2° |
| C13 | C09 | C10 | N11 | 0.2° | 0.0° |
| C13 | C09 | C10 | C19 | 179.1° | 180.0° |
| C13 | C09 | N08 | H25 | 75.4° | 123.0° |
| C12 | C13 | C09 | C10 | 0.3° | 0.1° |
| C13 | C12 | C17 | C16 | 25.7° | 29.1° |
| C13 | C12 | C17 | N11 | 179.8° | 180.0° |
| C13 | C12 | N11 | C10 | 0.1° | 0.2° |
| C13 | C12 | C17 | H3 | 146.1° | 148.9° |
| C13 | C12 | C17 | H4 | 94.7° | 90.7° |
| C13 | C12 | N11 | H26 | 179.9° | 179.9° |
| C09 | C10 | N11 | C12 | 0.1° | 0.1° |
| C09 | C10 | N11 | C19 | 179.4° | 179.9° |
| C09 | C10 | C19 | C24 | 5.1° | 105.5° |
| C09 | C10 | C19 | C20 | 175.6° | 74.8° |
| C10 | C09 | N08 | H25 | 103.2° | 57.0° |
| C09 | C10 | N11 | H26 | 179.9° | 179.9° |
| C16 | C17 | C12 | H3 | 120.4° | 119.8° |
| C16 | C17 | C12 | H4 | 120.4° | 119.8° |
| C16 | C17 | C12 | N11 | 154.5° | 150.9° |
| C17 | C16 | H1 | H2 | 118.3° | 118.3° |
| C16 | C17 | H3 | H4 | 118.6° | 120.4° |
| C17 | C16 | N15 | H27 | 154.8° | 140.8° |
| C17 | C12 | N11 | C10 | 179.7° | 179.8° |
| C12 | C17 | C16 | H1 | 84.2° | 167.3° |
| C12 | C17 | C16 | H2 | 156.9° | 74.4° |
| C12 | C17 | H3 | H4 | 118.6° | 120.3° |
| C17 | C12 | N11 | H26 | 0.3° | 0.1° |
| C12 | N11 | C10 | H26 | 180.0° | 179.9° |
| C12 | N11 | C10 | C19 | 179.3° | 179.9° |
| N11 | C12 | C17 | H3 | 34.0° | 31.1° |
| N11 | C12 | C17 | H4 | 85.1° | 89.2° |
| N11 | C10 | C19 | C24 | 174.2° | 74.4° |
| N11 | C10 | C19 | C20 | 5.1° | 105.3° |
| C10 | C19 | C24 | C23 | 179.0° | 179.8° |
| C10 | C19 | C24 | C20 | 179.4° | 179.7° |
| C10 | C19 | C20 | C21 | 179.0° | 180.0° |
| C10 | C19 | C20 | O25 | 0.6° | 0.0° |
| C10 | C19 | C24 | H10 | 1.0° | 0.3° |
| C19 | C10 | N11 | H26 | 0.7° | 0.0° |
| C23 | C24 | C19 | H10 | 180.0° | 179.5° |
| C24 | C23 | N22 | H9 | 180.0° | 179.1° |
| C23 | C24 | C19 | C20 | 0.4° | 0.1° |
| C24 | C23 | N22 | C21 | 1.1° | 0.9° |
| C19 | C24 | C23 | N22 | 0.9° | 0.5° |
| C24 | C19 | C20 | C21 | 0.3° | 0.3° |
| C24 | C19 | C20 | O25 | 178.7° | 179.7° |
| C19 | C24 | C23 | H9 | 179.1° | 179.7° |
| C23 | N22 | C21 | C20 | 1.0° | 0.6° |
| C23 | N22 | C21 | H8 | 179.0° | 179.4° |
| N22 | C23 | C24 | H10 | 179.2° | 180.0° |
| C19 | C20 | C21 | N22 | 0.6° | 0.0° |
| C19 | C20 | C21 | O25 | 178.5° | 179.9° |
| C19 | C20 | O25 | C26 | 77.2° | 177.4° |
| C19 | C20 | C21 | H8 | 179.4° | 180.0° |
| C20 | C19 | C24 | H10 | 179.6° | 179.4° |
| N22 | C21 | C20 | H8 | 180.0° | 180.0° |
| N22 | C21 | C20 | O25 | 179.1° | 180.0° |
| C21 | N22 | C23 | H9 | 178.9° | 180.0° |
| C21 | C20 | O25 | C26 | 104.4° | 2.5° |
| C20 | O25 | C26 | C27 | 160.5° | 174.7° |
| O25 | C20 | C21 | H8 | 0.9° | 0.0° |
| C20 | O25 | C26 | H11 | 40.4° | 65.3° |
| C20 | O25 | C26 | H12 | 79.4° | 54.7° |
| O25 | C26 | C27 | H11 | 120.1° | 120.1° |
| O25 | C26 | C27 | H12 | 120.0° | 120.0° |
| O25 | C26 | C27 | C28 | 164.9° | 60.0° |
| O25 | C26 | C27 | O30 | 45.5° | NaN° |
| O25 | C26 | C27 | C29 | 75.7° | 60.0° |
| O25 | C26 | H11 | H12 | 119.7° | 120.0° |
| C26 | C27 | C28 | O30 | 118.3° | 120.0° |
| C26 | C27 | C28 | C29 | 120.1° | 120.0° |
| C26 | C27 | O30 | C29 | 120.3° | 120.0° |
| C26 | C27 | O30 | C31 | 102.4° | 180.0° |
| C27 | C26 | H11 | H12 | 119.8° | 119.9° |
| C26 | C27 | C28 | H13 | 180.0° | 60.0° |
| C26 | C27 | C28 | H14 | 60.0° | 180.0° |
| C26 | C27 | C28 | H15 | 60.0° | 60.0° |
| C26 | C27 | C29 | H16 | 180.0° | 60.0° |
| C26 | C27 | C29 | H17 | 60.0° | 179.9° |
| C26 | C27 | C29 | H18 | 60.0° | 59.9° |
| C28 | C27 | O30 | C29 | 120.2° | 120.0° |
| C28 | C27 | O30 | C31 | 138.1° | 60.0° |
| C28 | C27 | C26 | H11 | 44.8° | 60.1° |
| C28 | C27 | C26 | H12 | 75.1° | 180.0° |
| C27 | C28 | H13 | H14 | 120.0° | 120.0° |
| C27 | C28 | H13 | H15 | 120.0° | 120.0° |
| C27 | C28 | H14 | H15 | 120.0° | 120.0° |
| C28 | C27 | C29 | H16 | 60.0° | 180.0° |
| C28 | C27 | C29 | H17 | 60.1° | 60.0° |
| C28 | C27 | C29 | H18 | 179.9° | 60.0° |
| O30 | C27 | C26 | H11 | 74.6° | 59.9° |
| O30 | C27 | C26 | H12 | 165.5° | 60.0° |
| O30 | C27 | C28 | H13 | 61.7° | 180.0° |
| O30 | C27 | C28 | H14 | 58.3° | 60.0° |
| O30 | C27 | C28 | H15 | 178.3° | 60.0° |
| O30 | C27 | C29 | H16 | 60.7° | 60.0° |
| O30 | C27 | C29 | H17 | 179.2° | 60.0° |
| O30 | C27 | C29 | H18 | 59.3° | 180.0° |
| C27 | O30 | C31 | H19 | 180.0° | 180.0° |
| C27 | O30 | C31 | H20 | 60.0° | 60.0° |
| C27 | O30 | C31 | H21 | 60.0° | 60.0° |
| C31 | O30 | C27 | C29 | 17.9° | 60.0° |
| O30 | C31 | H19 | H20 | 120.0° | 120.0° |
| O30 | C31 | H19 | H21 | 120.0° | 120.0° |
| O30 | C31 | H20 | H21 | 120.0° | 119.9° |
| C29 | C27 | C26 | H11 | 164.2° | 180.0° |
| C29 | C27 | C26 | H12 | 44.4° | 60.1° |
| C29 | C27 | C28 | H13 | 59.9° | 60.0° |
| C29 | C27 | C28 | H14 | 179.9° | 60.0° |
| C29 | C27 | C28 | H15 | 60.1° | 179.9° |
| C27 | C29 | H16 | H17 | 120.0° | 120.0° |
| C27 | C29 | H16 | H18 | 120.0° | 120.0° |
| C27 | C29 | H17 | H18 | 120.0° | 120.0° |
| H1 | C16 | C17 | H3 | 36.3° | 72.9° |
| H1 | C16 | C17 | H4 | 155.4° | 47.6° |
| H1 | C16 | N15 | H27 | 84.6° | 20.0° |
| H2 | C16 | C17 | H3 | 82.7° | 45.4° |
| H2 | C16 | C17 | H4 | 36.5° | 165.9° |
| H2 | C16 | N15 | H27 | 34.3° | 98.2° |
| H5 | C05 | C06 | H6 | 0.6° | 0.0° |
| H6 | C06 | C07 | H7 | 0.7° | 0.1° |
| H9 | C23 | C24 | H10 | 0.9° | 0.8° |
| H13 | C28 | H14 | H15 | 120.0° | 120.0° |
| H16 | C29 | H17 | H18 | 120.0° | 119.9° |
| H19 | C31 | H20 | H21 | 120.0° | 120.0° |
| H22 | C33 | H23 | H24 | 120.0° | 120.0° |
