80I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N22 | C23 | sing | 1.47Å | 1.58Å | |
| N22 | C21 | sing | 1.34Å | 1.43Å | |
| C23 | C24 | sing | 1.54Å | 1.36Å | |
| C21 | O25 | doub | 1.21Å | 1.19Å | |
| C21 | C20 | sing | 1.51Å | 1.39Å | |
| C24 | C20 | sing | 1.55Å | 1.64Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C08 | C09 | doub | 1.38Å | 1.40Å | Aromatic |
| C08 | C07 | sing | 1.39Å | 1.41Å | Aromatic |
| C09 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| C07 | N04 | sing | 1.37Å | 1.35Å | Aromatic |
| C07 | C06 | doub | 1.41Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| N04 | C03 | sing | 1.38Å | 1.33Å | Aromatic |
| O31 | P29 | doub | 1.48Å | 1.52Å | |
| C18 | C26 | sing | 1.51Å | 1.54Å | |
| C18 | N17 | sing | 1.47Å | 1.46Å | |
| O32 | P29 | sing | 1.61Å | 1.52Å | |
| C06 | C11 | sing | 1.41Å | 1.41Å | Aromatic |
| C06 | C05 | sing | 1.41Å | 1.41Å | Aromatic |
| C11 | O12 | sing | 1.36Å | 1.40Å | |
| O33 | C26 | doub | 1.21Å | 1.20Å | |
| O01 | C02 | doub | 1.22Å | 1.19Å | |
| C03 | C02 | sing | 1.47Å | 1.54Å | |
| C03 | C05 | doub | 1.36Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.51Å | 1.53Å | |
| C02 | N14 | sing | 1.35Å | 1.46Å | |
| P29 | O28 | sing | 1.61Å | 1.65Å | |
| P29 | O30 | sing | 1.61Å | 1.52Å | |
| O34 | C16 | doub | 1.21Å | 1.18Å | |
| N17 | C16 | sing | 1.35Å | 1.46Å | |
| O12 | C13 | sing | 1.43Å | 1.40Å | |
| C16 | C15 | sing | 1.51Å | 1.53Å | |
| O28 | C27 | sing | 1.43Å | 1.39Å | |
| N14 | C15 | sing | 1.46Å | 1.45Å | |
| C15 | C35 | sing | 1.53Å | 1.53Å | |
| C35 | C36 | sing | 1.53Å | 1.53Å | |
| C36 | C38 | sing | 1.53Å | 1.53Å | |
| C36 | C37 | sing | 1.53Å | 1.53Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C05 | H9 | sing | 1.08Å | 1.08Å | |
| C08 | H10 | sing | 1.08Å | 1.08Å | |
| C09 | H11 | sing | 1.08Å | 1.08Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C27 | H16 | sing | 1.09Å | 1.10Å | |
| C27 | H17 | sing | 1.09Å | 1.10Å | |
| C35 | H18 | sing | 1.09Å | 1.10Å | |
| C35 | H19 | sing | 1.09Å | 1.10Å | |
| C36 | H20 | sing | 1.09Å | 1.10Å | |
| C37 | H21 | sing | 1.09Å | 1.10Å | |
| C37 | H22 | sing | 1.09Å | 1.10Å | |
| C37 | H23 | sing | 1.09Å | 1.10Å | |
| C38 | H24 | sing | 1.09Å | 1.10Å | |
| C38 | H25 | sing | 1.09Å | 1.10Å | |
| C38 | H26 | sing | 1.09Å | 1.10Å | |
| N04 | H27 | sing | 0.97Å | 1.00Å | |
| N14 | H28 | sing | 0.97Å | 1.00Å | |
| N17 | H29 | sing | 0.97Å | 1.00Å | |
| O30 | H30 | sing | 0.97Å | 0.95Å | |
| O32 | H31 | sing | 0.97Å | 0.95Å | |
| N22 | H32 | sing | 0.97Å | 1.00Å | |
| C23 | H33 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | N22 | C21 | 108.5° | 111.3° |
| N22 | C23 | C24 | 107.3° | 105.4° |
| N22 | C23 | H15 | 110.0° | 110.3° |
| C23 | N22 | H32 | 125.8° | 124.3° |
| N22 | C23 | H33 | 110.0° | 110.4° |
| N22 | C21 | O25 | 124.5° | 125.0° |
| N22 | C21 | C20 | 110.0° | 110.1° |
| C21 | N22 | H32 | 125.8° | 124.4° |
| C23 | C24 | C20 | 106.9° | 101.8° |
| C23 | C24 | H7 | 110.1° | 111.0° |
| C23 | C24 | H8 | 110.1° | 111.0° |
| C24 | C23 | H15 | 110.0° | 110.3° |
| C24 | C23 | H33 | 110.0° | 110.2° |
| O25 | C21 | C20 | 125.6° | 124.9° |
| C21 | C20 | C24 | 106.9° | 104.3° |
| C21 | C20 | C19 | 111.6° | 110.5° |
| C21 | C20 | H6 | 111.8° | 110.5° |
| C24 | C20 | C19 | 108.2° | 110.5° |
| C24 | C20 | H6 | 108.4° | 110.5° |
| C20 | C24 | H7 | 110.1° | 110.9° |
| C20 | C24 | H8 | 110.1° | 111.0° |
| C20 | C19 | C18 | 108.9° | 109.5° |
| C19 | C20 | H6 | 109.8° | 110.5° |
| C20 | C19 | H13 | 109.6° | 109.4° |
| C20 | C19 | H14 | 109.6° | 109.5° |
| C09 | C08 | C07 | 119.6° | 120.1° |
| C08 | C09 | C10 | 120.4° | 120.7° |
| C09 | C08 | H10 | 120.2° | 119.9° |
| C08 | C09 | H11 | 119.8° | 119.6° |
| C08 | C07 | N04 | 132.2° | 133.1° |
| C08 | C07 | C06 | 120.0° | 119.5° |
| C07 | C08 | H10 | 120.2° | 120.0° |
| C09 | C10 | C11 | 120.1° | 120.4° |
| C09 | C10 | H1 | 119.9° | 119.8° |
| C10 | C09 | H11 | 119.8° | 119.7° |
| C19 | C18 | C26 | 111.3° | 109.5° |
| C19 | C18 | N17 | 107.8° | 109.4° |
| C19 | C18 | H12 | 108.5° | 109.5° |
| C18 | C19 | H13 | 109.6° | 109.5° |
| C18 | C19 | H14 | 109.6° | 109.5° |
| N04 | C07 | C06 | 107.8° | 107.4° |
| C07 | N04 | C03 | 111.0° | 108.8° |
| C07 | N04 | H27 | 124.5° | 125.7° |
| C07 | C06 | C11 | 120.3° | 119.6° |
| C07 | C06 | C05 | 106.5° | 107.0° |
| C10 | C11 | C06 | 119.6° | 119.6° |
| C10 | C11 | O12 | 121.3° | 120.2° |
| C11 | C10 | H1 | 120.0° | 119.8° |
| N04 | C03 | C02 | 126.1° | 125.5° |
| N04 | C03 | C05 | 108.1° | 109.0° |
| C03 | N04 | H27 | 124.5° | 125.6° |
| O31 | P29 | O32 | 108.9° | 109.5° |
| O31 | P29 | O28 | 109.7° | 109.5° |
| O31 | P29 | O30 | 109.9° | 109.4° |
| C26 | C18 | N17 | 111.5° | 109.5° |
| C18 | C26 | O33 | 121.3° | 120.0° |
| C18 | C26 | C27 | 118.6° | 120.0° |
| C26 | C18 | H12 | 108.4° | 109.5° |
| C18 | N17 | C16 | 119.3° | 120.0° |
| N17 | C18 | H12 | 109.4° | 109.5° |
| C18 | N17 | H29 | 120.3° | 120.0° |
| O32 | P29 | O28 | 109.4° | 109.5° |
| O32 | P29 | O30 | 111.1° | 109.5° |
| P29 | O32 | H31 | 109.5° | 114.0° |
| C11 | C06 | C05 | 133.2° | 133.3° |
| C06 | C11 | O12 | 119.1° | 120.2° |
| C06 | C05 | C03 | 106.5° | 107.8° |
| C06 | C05 | H9 | 126.7° | 126.2° |
| C11 | O12 | C13 | 115.7° | 117.0° |
| O33 | C26 | C27 | 120.0° | 120.0° |
| O01 | C02 | C03 | 120.4° | 120.0° |
| O01 | C02 | N14 | 119.8° | 120.0° |
| C02 | C03 | C05 | 125.8° | 125.5° |
| C03 | C02 | N14 | 119.8° | 120.0° |
| C03 | C05 | H9 | 126.7° | 126.1° |
| C26 | C27 | O28 | 107.7° | 109.5° |
| C26 | C27 | H16 | 109.9° | 109.5° |
| C26 | C27 | H17 | 109.9° | 109.5° |
| C02 | N14 | C15 | 121.0° | 120.0° |
| C02 | N14 | H28 | 119.5° | 120.0° |
| O28 | P29 | O30 | 107.8° | 109.5° |
| P29 | O28 | C27 | 117.6° | 123.0° |
| P29 | O30 | H30 | 109.5° | 114.0° |
| O34 | C16 | N17 | 119.1° | 120.0° |
| O34 | C16 | C15 | 119.0° | 120.0° |
| N17 | C16 | C15 | 121.9° | 120.0° |
| C16 | N17 | H29 | 120.4° | 120.0° |
| O12 | C13 | H2 | 109.5° | 109.5° |
| O12 | C13 | H3 | 109.5° | 109.5° |
| O12 | C13 | H4 | 109.5° | 109.4° |
| C16 | C15 | N14 | 108.4° | 109.5° |
| C16 | C15 | C35 | 110.4° | 109.5° |
| C16 | C15 | H5 | 109.3° | 109.4° |
| O28 | C27 | H16 | 109.9° | 109.5° |
| O28 | C27 | H17 | 109.9° | 109.5° |
| N14 | C15 | C35 | 109.2° | 109.5° |
| N14 | C15 | H5 | 110.3° | 109.5° |
| C15 | N14 | H28 | 119.5° | 120.0° |
| C15 | C35 | C36 | 113.3° | 109.5° |
| C35 | C15 | H5 | 109.3° | 109.5° |
| C15 | C35 | H18 | 108.5° | 109.5° |
| C15 | C35 | H19 | 108.5° | 109.5° |
| C35 | C36 | C38 | 112.3° | 109.5° |
| C35 | C36 | C37 | 109.5° | 109.5° |
| C36 | C35 | H18 | 108.5° | 109.5° |
| C36 | C35 | H19 | 108.5° | 109.5° |
| C35 | C36 | H20 | 108.0° | 109.5° |
| C38 | C36 | C37 | 110.8° | 109.5° |
| C38 | C36 | H20 | 108.0° | 109.5° |
| C36 | C38 | H24 | 109.5° | 109.5° |
| C36 | C38 | H25 | 109.5° | 109.5° |
| C36 | C38 | H26 | 109.5° | 109.5° |
| C37 | C36 | H20 | 108.0° | 109.5° |
| C36 | C37 | H21 | 109.5° | 109.4° |
| C36 | C37 | H22 | 109.5° | 109.4° |
| C36 | C37 | H23 | 109.5° | 109.5° |
| H2 | C13 | H3 | 109.4° | 109.5° |
| H2 | C13 | H4 | 109.5° | 109.5° |
| H3 | C13 | H4 | 109.5° | 109.5° |
| H7 | C24 | H8 | 109.4° | 110.8° |
| H13 | C19 | H14 | 109.5° | 109.5° |
| H15 | C23 | H33 | 109.4° | 110.2° |
| H16 | C27 | H17 | 109.5° | 109.5° |
| H18 | C35 | H19 | 109.5° | 109.4° |
| H21 | C37 | H22 | 109.5° | 109.4° |
| H21 | C37 | H23 | 109.5° | 109.6° |
| H22 | C37 | H23 | 109.5° | 109.5° |
| H24 | C38 | H25 | 109.5° | 109.5° |
| H24 | C38 | H26 | 109.4° | 109.5° |
| H25 | C38 | H26 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | N22 | C21 | H32 | 180.0° | 179.9° |
| N22 | C23 | C24 | H15 | 119.7° | 119.0° |
| N22 | C23 | C24 | H33 | 119.7° | 119.1° |
| C23 | N22 | C21 | O25 | 179.8° | 179.7° |
| C23 | N22 | C21 | C20 | 0.7° | 0.3° |
| N22 | C23 | C24 | C20 | 6.7° | 25.4° |
| N22 | C23 | C24 | H7 | 126.4° | 143.5° |
| N22 | C23 | C24 | H8 | 112.9° | 92.7° |
| N22 | C23 | H15 | H33 | 121.0° | 122.1° |
| C21 | N22 | C23 | C24 | 4.3° | 17.0° |
| N22 | C21 | O25 | C20 | 179.0° | 180.0° |
| N22 | C21 | C20 | C24 | 4.6° | 16.3° |
| N22 | C21 | C20 | C19 | 122.7° | 102.4° |
| N22 | C21 | C20 | H6 | 113.9° | 135.1° |
| C21 | N22 | C23 | H15 | 115.3° | 102.0° |
| C21 | N22 | C23 | H33 | 124.0° | 136.0° |
| C23 | C24 | C20 | C21 | 7.4° | 24.9° |
| C23 | C24 | C20 | H7 | 119.6° | 118.1° |
| C23 | C24 | C20 | H8 | 119.6° | 118.2° |
| C23 | C24 | C20 | C19 | 127.8° | 93.8° |
| C23 | C24 | C20 | H6 | 113.2° | 143.6° |
| C23 | C24 | H7 | H8 | 121.2° | 123.9° |
| C24 | C23 | H15 | H33 | 121.0° | 121.9° |
| C24 | C23 | N22 | H32 | 175.7° | 162.9° |
| O25 | C21 | C20 | C24 | 176.3° | 163.7° |
| O25 | C21 | C20 | C19 | 58.2° | 77.6° |
| O25 | C21 | C20 | H6 | 65.2° | 44.9° |
| O25 | C21 | N22 | H32 | 0.2° | 0.4° |
| C21 | C20 | C24 | C19 | 120.4° | 118.7° |
| C21 | C20 | C24 | H6 | 120.6° | 118.7° |
| C21 | C20 | C19 | H6 | 124.5° | 122.5° |
| C21 | C20 | C19 | C18 | 179.8° | 66.5° |
| C21 | C20 | C24 | H7 | 127.1° | 143.0° |
| C21 | C20 | C24 | H8 | 112.2° | 93.3° |
| C21 | C20 | C19 | H13 | 59.9° | 173.5° |
| C21 | C20 | C19 | H14 | 60.3° | 53.5° |
| C20 | C21 | N22 | H32 | 179.3° | 179.6° |
| C24 | C20 | C19 | H6 | 118.1° | 122.6° |
| C24 | C20 | C19 | C18 | 62.5° | 178.6° |
| C20 | C24 | H7 | H8 | 121.2° | 123.7° |
| C24 | C20 | C19 | H13 | 57.4° | 58.7° |
| C24 | C20 | C19 | H14 | 177.6° | 61.4° |
| C20 | C24 | C23 | H15 | 112.9° | 93.6° |
| C20 | C24 | C23 | H33 | 126.4° | 144.5° |
| C20 | C19 | C18 | H13 | 119.9° | 119.9° |
| C20 | C19 | C18 | H14 | 119.9° | 120.0° |
| C20 | C19 | C18 | C26 | 161.6° | 68.4° |
| C20 | C19 | C18 | N17 | 76.0° | 171.6° |
| C19 | C20 | C24 | H7 | 112.6° | 24.3° |
| C19 | C20 | C24 | H8 | 8.2° | 148.0° |
| C20 | C19 | C18 | H12 | 42.4° | 51.6° |
| C20 | C19 | H13 | H14 | 120.2° | 120.0° |
| C09 | C08 | C07 | H10 | 180.0° | 179.6° |
| C08 | C09 | C10 | H11 | 180.0° | 179.9° |
| C09 | C08 | C07 | N04 | 179.8° | 179.9° |
| C09 | C08 | C07 | C06 | 0.0° | 0.7° |
| C08 | C09 | C10 | C11 | 0.0° | 0.1° |
| C08 | C09 | C10 | H1 | 179.9° | 179.7° |
| C07 | C08 | C09 | C10 | 0.0° | 0.5° |
| C08 | C07 | N04 | C06 | 179.8° | 179.5° |
| C08 | C07 | N04 | C03 | 180.0° | 179.4° |
| C08 | C07 | C06 | C11 | 0.0° | 0.4° |
| C08 | C07 | C06 | C05 | 179.9° | 179.5° |
| C07 | C08 | C09 | H11 | 180.0° | 179.5° |
| C08 | C07 | N04 | H27 | 0.1° | 0.5° |
| C09 | C10 | C11 | H1 | 180.0° | 179.7° |
| C09 | C10 | C11 | C06 | 0.0° | 0.3° |
| C09 | C10 | C11 | O12 | 179.7° | 179.7° |
| C10 | C09 | C08 | H10 | 180.0° | 180.0° |
| C19 | C18 | C26 | N17 | 120.3° | 120.0° |
| C19 | C18 | C26 | H12 | 119.3° | 120.0° |
| C19 | C18 | N17 | H12 | 117.8° | 120.0° |
| C19 | C18 | C26 | O33 | 9.9° | 85.1° |
| C19 | C18 | C26 | C27 | 167.1° | 94.9° |
| C19 | C18 | N17 | C16 | 135.3° | 87.6° |
| C18 | C19 | C20 | H6 | 55.6° | 56.0° |
| C18 | C19 | H13 | H14 | 120.2° | 120.1° |
| C19 | C18 | N17 | H29 | 44.7° | 92.4° |
| C07 | N04 | C03 | H27 | 180.0° | 180.0° |
| N04 | C07 | C06 | C11 | 179.8° | 180.0° |
| N04 | C07 | C06 | C05 | 0.3° | 0.0° |
| C07 | N04 | C03 | C02 | 179.1° | 180.0° |
| C07 | N04 | C03 | C05 | 0.2° | 0.0° |
| N04 | C07 | C08 | H10 | 0.2° | 0.3° |
| C07 | C06 | C11 | C10 | 0.0° | 0.1° |
| C06 | C07 | N04 | C03 | 0.3° | 0.0° |
| C07 | C06 | C11 | C05 | 179.9° | 179.9° |
| C07 | C06 | C11 | O12 | 179.7° | 180.0° |
| C07 | C06 | C05 | C03 | 0.2° | 0.0° |
| C07 | C06 | C05 | H9 | 179.9° | 180.0° |
| C06 | C07 | C08 | H10 | 180.0° | 179.8° |
| C06 | C07 | N04 | H27 | 179.7° | 180.0° |
| C10 | C11 | C06 | O12 | 179.7° | 179.9° |
| C10 | C11 | C06 | C05 | 179.9° | 180.0° |
| C10 | C11 | O12 | C13 | 15.0° | 0.0° |
| C11 | C10 | C09 | H11 | 180.0° | 180.0° |
| N04 | C03 | C05 | C06 | 0.0° | 0.0° |
| N04 | C03 | C02 | O01 | 3.3° | 180.0° |
| N04 | C03 | C02 | C05 | 179.1° | 180.0° |
| N04 | C03 | C02 | N14 | 174.6° | 0.1° |
| N04 | C03 | C05 | H9 | 180.0° | 180.0° |
| O31 | P29 | O32 | O28 | 120.0° | 120.0° |
| O31 | P29 | O32 | O30 | 121.2° | 120.0° |
| O31 | P29 | O28 | O30 | 119.7° | 120.0° |
| O31 | P29 | O28 | C27 | 37.1° | 55.0° |
| O31 | P29 | O30 | H30 | 0.0° | 180.0° |
| O31 | P29 | O32 | H31 | 0.0° | 60.0° |
| C26 | C18 | N17 | H12 | 119.8° | 120.0° |
| C18 | C26 | O33 | C27 | 177.0° | 180.0° |
| C26 | C18 | N17 | C16 | 102.3° | 152.4° |
| C18 | C26 | C27 | O28 | 71.1° | 178.6° |
| C26 | C18 | C19 | H13 | 41.6° | 51.5° |
| C26 | C18 | C19 | H14 | 78.5° | 171.6° |
| C18 | C26 | C27 | H16 | 169.1° | 61.4° |
| C18 | C26 | C27 | H17 | 48.6° | 58.6° |
| C26 | C18 | N17 | H29 | 77.7° | 27.6° |
| N17 | C18 | C26 | O33 | 130.2° | 34.9° |
| N17 | C18 | C26 | C27 | 46.8° | 145.1° |
| C18 | N17 | C16 | O34 | 0.5° | 5.3° |
| C18 | N17 | C16 | H29 | 180.0° | 180.0° |
| C18 | N17 | C16 | C15 | 179.7° | 174.8° |
| N17 | C18 | C19 | H13 | 164.1° | 68.5° |
| N17 | C18 | C19 | H14 | 43.9° | 51.6° |
| O32 | P29 | O28 | O30 | 120.9° | 120.0° |
| O32 | P29 | O28 | C27 | 156.5° | 175.0° |
| O32 | P29 | O30 | H30 | 120.6° | 60.0° |
| C11 | C06 | C05 | C03 | 179.9° | 179.9° |
| C06 | C11 | O12 | C13 | 165.3° | 180.0° |
| C06 | C11 | C10 | H1 | 180.0° | 180.0° |
| C11 | C06 | C05 | H9 | 0.1° | 0.1° |
| C05 | C06 | C11 | O12 | 0.2° | 0.1° |
| C06 | C05 | C03 | C02 | 179.2° | 180.0° |
| C06 | C05 | C03 | H9 | 180.0° | 180.0° |
| O12 | C11 | C10 | H1 | 0.3° | 0.0° |
| C11 | O12 | C13 | H2 | 180.0° | 60.0° |
| C11 | O12 | C13 | H3 | 60.0° | 60.0° |
| C11 | O12 | C13 | H4 | 60.0° | 180.0° |
| O33 | C26 | C27 | O28 | 111.8° | 1.4° |
| O33 | C26 | C18 | H12 | 109.4° | 154.9° |
| O33 | C26 | C27 | H16 | 7.9° | 118.6° |
| O33 | C26 | C27 | H17 | 128.5° | 121.4° |
| O01 | C02 | C03 | N14 | 178.0° | 179.9° |
| O01 | C02 | C03 | C05 | 177.6° | 0.1° |
| O01 | C02 | N14 | C15 | 1.6° | 0.1° |
| O01 | C02 | N14 | H28 | 178.4° | 179.9° |
| C03 | C02 | N14 | C15 | 179.6° | 180.0° |
| C02 | C03 | C05 | H9 | 0.8° | 0.0° |
| C02 | C03 | N04 | H27 | 1.0° | 0.0° |
| C03 | C02 | N14 | H28 | 0.4° | 0.0° |
| C05 | C03 | C02 | N14 | 4.5° | 180.0° |
| C05 | C03 | N04 | H27 | 179.8° | 180.0° |
| C26 | C27 | O28 | P29 | 77.7° | 180.0° |
| C26 | C27 | O28 | H16 | 119.7° | 120.0° |
| C26 | C27 | O28 | H17 | 119.7° | 120.0° |
| C27 | C26 | C18 | H12 | 73.6° | 25.1° |
| C26 | C27 | H16 | H17 | 120.8° | 120.0° |
| C02 | N14 | C15 | C16 | 74.3° | 155.0° |
| C02 | N14 | C15 | H28 | 180.0° | 180.0° |
| C02 | N14 | C15 | C35 | 165.3° | 84.9° |
| C02 | N14 | C15 | H5 | 45.2° | 35.1° |
| P29 | O28 | C27 | H16 | 42.0° | 60.0° |
| P29 | O28 | C27 | H17 | 162.6° | 60.0° |
| O28 | P29 | O30 | H30 | 119.5° | 60.0° |
| O28 | P29 | O32 | H31 | 120.0° | 180.0° |
| O30 | P29 | O28 | C27 | 82.6° | 65.0° |
| O30 | P29 | O32 | H31 | 121.2° | 60.0° |
| O34 | C16 | N17 | C15 | 179.8° | 180.0° |
| O34 | C16 | C15 | N14 | 45.3° | 0.0° |
| O34 | C16 | C15 | C35 | 74.3° | 120.0° |
| O34 | C16 | C15 | H5 | 165.5° | 120.0° |
| O34 | C16 | N17 | H29 | 179.4° | 174.7° |
| N17 | C16 | C15 | N14 | 134.9° | 180.0° |
| N17 | C16 | C15 | C35 | 105.5° | 60.0° |
| N17 | C16 | C15 | H5 | 14.8° | 60.0° |
| C16 | N17 | C18 | H12 | 17.5° | 32.3° |
| O12 | C13 | H2 | H3 | 120.0° | 120.0° |
| O12 | C13 | H2 | H4 | 120.0° | 119.9° |
| O12 | C13 | H3 | H4 | 120.0° | 120.0° |
| C16 | C15 | N14 | C35 | 120.3° | 120.0° |
| C16 | C15 | N14 | H5 | 119.6° | 120.0° |
| C16 | C15 | C35 | H5 | 120.2° | 120.0° |
| C16 | C15 | C35 | C36 | 179.1° | 175.0° |
| C16 | C15 | C35 | H18 | 58.5° | 65.0° |
| C16 | C15 | C35 | H19 | 60.4° | 55.0° |
| C16 | C15 | N14 | H28 | 105.7° | 25.0° |
| C15 | C16 | N17 | H29 | 0.3° | 5.2° |
| O28 | C27 | H16 | H17 | 120.8° | 120.0° |
| N14 | C15 | C35 | H5 | 120.7° | 120.0° |
| N14 | C15 | C35 | C36 | 60.0° | 65.0° |
| N14 | C15 | C35 | H18 | 60.6° | 55.0° |
| N14 | C15 | C35 | H19 | 179.4° | 175.0° |
| C15 | C35 | C36 | H18 | 120.6° | 120.1° |
| C15 | C35 | C36 | H19 | 120.6° | 120.0° |
| C15 | C35 | C36 | C38 | 57.7° | 65.0° |
| C15 | C35 | C36 | C37 | 178.7° | 175.0° |
| C15 | C35 | H18 | H19 | 118.2° | 120.0° |
| C15 | C35 | C36 | H20 | 61.3° | 55.0° |
| C35 | C15 | N14 | H28 | 14.7° | 95.0° |
| C35 | C36 | C38 | C37 | 122.8° | 120.0° |
| C35 | C36 | C38 | H20 | 119.0° | 120.0° |
| C35 | C36 | C37 | H20 | 117.4° | 120.0° |
| C36 | C35 | C15 | H5 | 60.7° | 55.0° |
| C36 | C35 | H18 | H19 | 118.3° | 119.9° |
| C35 | C36 | C37 | H21 | 180.0° | 60.0° |
| C35 | C36 | C37 | H22 | 60.0° | 180.0° |
| C35 | C36 | C37 | H23 | 60.0° | 60.0° |
| C35 | C36 | C38 | H24 | 180.0° | 60.0° |
| C35 | C36 | C38 | H25 | 60.0° | 180.0° |
| C35 | C36 | C38 | H26 | 60.0° | 60.0° |
| C38 | C36 | C37 | H20 | 118.1° | 120.0° |
| C38 | C36 | C35 | H18 | 178.3° | 174.9° |
| C38 | C36 | C35 | H19 | 62.9° | 55.0° |
| C38 | C36 | C37 | H21 | 55.5° | 60.0° |
| C38 | C36 | C37 | H22 | 175.5° | 60.0° |
| C38 | C36 | C37 | H23 | 64.5° | 180.0° |
| C36 | C38 | H24 | H25 | 120.0° | 120.0° |
| C36 | C38 | H24 | H26 | 120.0° | 120.0° |
| C36 | C38 | H25 | H26 | 120.0° | 120.0° |
| C37 | C36 | C35 | H18 | 58.1° | 54.9° |
| C37 | C36 | C35 | H19 | 60.7° | 65.0° |
| C36 | C37 | H21 | H22 | 120.0° | 119.9° |
| C36 | C37 | H21 | H23 | 120.0° | 120.0° |
| C36 | C37 | H22 | H23 | 120.0° | 120.0° |
| C37 | C36 | C38 | H24 | 57.2° | 180.0° |
| C37 | C36 | C38 | H25 | 62.8° | 60.0° |
| C37 | C36 | C38 | H26 | 177.2° | 60.0° |
| H1 | C10 | C09 | H11 | 0.1° | 0.3° |
| H2 | C13 | H3 | H4 | 120.0° | 120.0° |
| H5 | C15 | C35 | H18 | 178.7° | 175.1° |
| H5 | C15 | C35 | H19 | 59.9° | 65.0° |
| H5 | C15 | N14 | H28 | 134.8° | 145.0° |
| H6 | C20 | C24 | H7 | 6.4° | 98.3° |
| H6 | C20 | C24 | H8 | 127.2° | 25.4° |
| H6 | C20 | C19 | H13 | 175.5° | 63.9° |
| H6 | C20 | C19 | H14 | 64.3° | 176.0° |
| H7 | C24 | C23 | H15 | 6.7° | 24.5° |
| H7 | C24 | C23 | H33 | 114.0° | 97.4° |
| H8 | C24 | C23 | H15 | 127.5° | 148.2° |
| H8 | C24 | C23 | H33 | 6.8° | 26.4° |
| H10 | C08 | C09 | H11 | 0.0° | 0.1° |
| H12 | C18 | C19 | H13 | 77.5° | 171.6° |
| H12 | C18 | C19 | H14 | 162.3° | 68.4° |
| H12 | C18 | N17 | H29 | 162.5° | 147.7° |
| H15 | C23 | N22 | H32 | 64.7° | 78.0° |
| H18 | C35 | C36 | H20 | 59.3° | 65.1° |
| H19 | C35 | C36 | H20 | 178.1° | 175.0° |
| H20 | C36 | C37 | H21 | 62.6° | 180.0° |
| H20 | C36 | C37 | H22 | 57.4° | 60.0° |
| H20 | C36 | C37 | H23 | 177.4° | 60.0° |
| H20 | C36 | C38 | H24 | 61.0° | 60.0° |
| H20 | C36 | C38 | H25 | 179.0° | 60.0° |
| H20 | C36 | C38 | H26 | 59.0° | 180.0° |
| H21 | C37 | H22 | H23 | 120.0° | 120.1° |
| H24 | C38 | H25 | H26 | 120.0° | 120.0° |
| H32 | N22 | C23 | H33 | 56.0° | 43.9° |
