A1BJC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | P02 | doub | 1.48Å | 1.51Å | |
| O04 | P02 | sing | 1.61Å | 1.53Å | |
| O03 | P02 | sing | 1.61Å | 1.51Å | |
| P02 | C05 | sing | 1.81Å | 1.85Å | |
| C05 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C09 | sing | 1.38Å | 1.39Å | Aromatic |
| C06 | C07 | doub | 1.38Å | 1.40Å | Aromatic |
| C09 | C08 | doub | 1.38Å | 1.39Å | Aromatic |
| C07 | C08 | sing | 1.38Å | 1.40Å | Aromatic |
| C32 | C33 | doub | 1.38Å | 1.42Å | Aromatic |
| C32 | C31 | sing | 1.38Å | 1.40Å | Aromatic |
| C08 | C11 | sing | 1.51Å | 1.53Å | |
| C33 | C34 | sing | 1.39Å | 1.39Å | Aromatic |
| C31 | C30 | doub | 1.39Å | 1.40Å | Aromatic |
| O14 | C13 | doub | 1.21Å | 1.18Å | |
| C11 | N12 | sing | 1.47Å | 1.44Å | |
| C11 | C25 | sing | 1.51Å | 1.51Å | |
| C34 | C38 | doub | 1.41Å | 1.40Å | Aromatic |
| C34 | C35 | sing | 1.47Å | 1.54Å | |
| C30 | C38 | sing | 1.38Å | 1.41Å | Aromatic |
| C30 | C29 | sing | 1.51Å | 1.57Å | |
| C13 | N12 | sing | 1.35Å | 1.44Å | |
| C13 | N15 | sing | 1.35Å | 1.44Å | |
| O37 | C35 | doub | 1.22Å | 1.26Å | |
| C25 | O26 | doub | 1.21Å | 1.17Å | |
| C25 | N27 | sing | 1.35Å | 1.45Å | |
| C16 | N15 | sing | 1.46Å | 1.60Å | |
| C16 | C17 | sing | 1.53Å | 1.33Å | |
| N15 | C23 | sing | 1.35Å | 1.33Å | |
| C38 | O39 | sing | 1.36Å | 1.43Å | |
| C35 | O36 | sing | 1.35Å | 1.26Å | |
| C29 | C28 | sing | 1.53Å | 1.53Å | |
| C23 | O24 | doub | 1.21Å | 1.19Å | |
| C23 | C21 | sing | 1.50Å | 1.56Å | |
| N27 | C28 | sing | 1.47Å | 1.50Å | |
| C21 | O22 | doub | 1.21Å | 1.18Å | |
| C21 | N18 | sing | 1.35Å | 1.32Å | |
| C17 | N18 | sing | 1.46Å | 1.61Å | |
| C28 | B40 | sing | 1.58Å | 1.59Å | |
| N18 | C19 | sing | 1.46Å | 1.46Å | |
| O39 | B40 | sing | 1.42Å | 1.36Å | |
| O41 | B40 | sing | 1.42Å | 1.39Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| N12 | H2 | sing | 0.97Å | 1.00Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C28 | H8 | sing | 1.09Å | 1.10Å | |
| O03 | H9 | sing | 0.97Å | 0.95Å | |
| O04 | H10 | sing | 0.97Å | 0.95Å | |
| C06 | H11 | sing | 1.08Å | 1.08Å | |
| C07 | H12 | sing | 1.08Å | 1.08Å | |
| C09 | H13 | sing | 1.08Å | 1.08Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| N27 | H19 | sing | 0.97Å | 1.00Å | |
| C29 | H20 | sing | 1.09Å | 1.10Å | |
| C29 | H21 | sing | 1.09Å | 1.10Å | |
| C31 | H22 | sing | 1.08Å | 1.08Å | |
| C32 | H23 | sing | 1.08Å | 1.08Å | |
| C33 | H24 | sing | 1.08Å | 1.08Å | |
| O36 | H25 | sing | 0.97Å | 0.95Å | |
| O41 | H26 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | P02 | O04 | 111.9° | 109.5° |
| O01 | P02 | O03 | 110.0° | 109.5° |
| O01 | P02 | C05 | 105.2° | 109.5° |
| O04 | P02 | O03 | 115.4° | 109.5° |
| O04 | P02 | C05 | 108.7° | 109.5° |
| P02 | O04 | H10 | 109.5° | 114.0° |
| O03 | P02 | C05 | 104.8° | 109.5° |
| P02 | O03 | H9 | 109.5° | 114.0° |
| P02 | C05 | C10 | 118.9° | 120.0° |
| P02 | C05 | C06 | 119.3° | 120.0° |
| C10 | C05 | C06 | 121.7° | 120.0° |
| C05 | C10 | C09 | 120.1° | 120.0° |
| C05 | C10 | H1 | 120.0° | 120.0° |
| C05 | C06 | C07 | 118.8° | 120.0° |
| C05 | C06 | H11 | 120.6° | 120.0° |
| C10 | C09 | C08 | 118.3° | 120.0° |
| C09 | C10 | H1 | 120.0° | 120.0° |
| C10 | C09 | H13 | 120.9° | 120.0° |
| C06 | C07 | C08 | 118.9° | 120.0° |
| C07 | C06 | H11 | 120.6° | 120.0° |
| C06 | C07 | H12 | 120.6° | 120.0° |
| C09 | C08 | C07 | 122.2° | 120.0° |
| C09 | C08 | C11 | 120.4° | 120.0° |
| C08 | C09 | H13 | 120.8° | 120.0° |
| C07 | C08 | C11 | 117.3° | 119.9° |
| C08 | C07 | H12 | 120.6° | 120.0° |
| C33 | C32 | C31 | 122.8° | 120.1° |
| C32 | C33 | C34 | 119.2° | 119.6° |
| C33 | C32 | H23 | 118.6° | 120.0° |
| C32 | C33 | H24 | 120.4° | 120.2° |
| C32 | C31 | C30 | 116.9° | 121.1° |
| C32 | C31 | H22 | 121.6° | 119.5° |
| C31 | C32 | H23 | 118.6° | 119.9° |
| C08 | C11 | N12 | 111.7° | 109.4° |
| C08 | C11 | C25 | 115.4° | 109.5° |
| C08 | C11 | H14 | 106.4° | 109.5° |
| C33 | C34 | C38 | 118.4° | 120.2° |
| C33 | C34 | C35 | 122.0° | 119.9° |
| C34 | C33 | H24 | 120.4° | 120.2° |
| C31 | C30 | C38 | 120.5° | 119.6° |
| C31 | C30 | C29 | 125.1° | 117.0° |
| C30 | C31 | H22 | 121.6° | 119.4° |
| O14 | C13 | N12 | 125.1° | 120.0° |
| O14 | C13 | N15 | 118.9° | 120.0° |
| N12 | C11 | C25 | 108.6° | 109.5° |
| C11 | N12 | C13 | 122.1° | 120.0° |
| C11 | N12 | H2 | 119.0° | 120.0° |
| N12 | C11 | H14 | 107.5° | 109.5° |
| C11 | C25 | O26 | 120.0° | 120.0° |
| C11 | C25 | N27 | 117.5° | 120.0° |
| C25 | C11 | H14 | 106.8° | 109.5° |
| C38 | C34 | C35 | 119.4° | 119.9° |
| C34 | C38 | C30 | 122.2° | 119.4° |
| C34 | C38 | O39 | 121.3° | 116.7° |
| C34 | C35 | O37 | 123.7° | 120.0° |
| C34 | C35 | O36 | 116.9° | 120.0° |
| C38 | C30 | C29 | 114.4° | 123.4° |
| C30 | C38 | O39 | 116.4° | 123.9° |
| C30 | C29 | C28 | 105.4° | 110.4° |
| C30 | C29 | H20 | 110.5° | 109.3° |
| C30 | C29 | H21 | 110.5° | 109.2° |
| N12 | C13 | N15 | 115.9° | 120.0° |
| C13 | N12 | H2 | 118.9° | 120.0° |
| C13 | N15 | C16 | 121.5° | 119.9° |
| C13 | N15 | C23 | 123.3° | 119.9° |
| O37 | C35 | O36 | 119.2° | 120.0° |
| O26 | C25 | N27 | 122.1° | 120.0° |
| C25 | N27 | C28 | 120.2° | 120.0° |
| C25 | N27 | H19 | 119.9° | 120.0° |
| N15 | C16 | C17 | 111.8° | 110.6° |
| C16 | N15 | C23 | 115.2° | 120.2° |
| N15 | C16 | H15 | 108.9° | 109.3° |
| N15 | C16 | H16 | 108.9° | 109.2° |
| C16 | C17 | N18 | 116.0° | 110.5° |
| C16 | C17 | H3 | 107.8° | 109.3° |
| C16 | C17 | H4 | 107.8° | 109.2° |
| C17 | C16 | H15 | 108.9° | 109.3° |
| C17 | C16 | H16 | 108.9° | 109.2° |
| N15 | C23 | O24 | 120.7° | 120.4° |
| N15 | C23 | C21 | 121.0° | 119.1° |
| C38 | O39 | B40 | 112.7° | 114.8° |
| C35 | O36 | H25 | 109.5° | 117.0° |
| C29 | C28 | N27 | 103.6° | 110.0° |
| C29 | C28 | B40 | 117.0° | 106.9° |
| C29 | C28 | H8 | 110.1° | 110.0° |
| C28 | C29 | H20 | 110.5° | 109.3° |
| C28 | C29 | H21 | 110.5° | 109.3° |
| O24 | C23 | C21 | 118.2° | 120.5° |
| C23 | C21 | O22 | 117.6° | 120.4° |
| C23 | C21 | N18 | 122.0° | 119.1° |
| N27 | C28 | B40 | 105.9° | 110.0° |
| N27 | C28 | H8 | 110.6° | 110.0° |
| C28 | N27 | H19 | 119.9° | 120.0° |
| O22 | C21 | N18 | 120.4° | 120.5° |
| C21 | N18 | C17 | 113.0° | 120.2° |
| C21 | N18 | C19 | 124.3° | 119.9° |
| C17 | N18 | C19 | 122.6° | 119.9° |
| N18 | C17 | H3 | 107.8° | 109.3° |
| N18 | C17 | H4 | 107.8° | 109.2° |
| C28 | B40 | O39 | 107.2° | 116.5° |
| C28 | B40 | O41 | 119.8° | 121.8° |
| B40 | C28 | H8 | 109.3° | 110.0° |
| N18 | C19 | C20 | 109.4° | 109.5° |
| N18 | C19 | H17 | 109.5° | 109.5° |
| N18 | C19 | H18 | 109.5° | 109.5° |
| O39 | B40 | O41 | 113.4° | 121.8° |
| B40 | O41 | H26 | 109.5° | 114.0° |
| C19 | C20 | H5 | 109.5° | 109.5° |
| C19 | C20 | H6 | 109.4° | 109.4° |
| C19 | C20 | H7 | 109.5° | 109.5° |
| C20 | C19 | H17 | 109.4° | 109.5° |
| C20 | C19 | H18 | 109.5° | 109.5° |
| H3 | C17 | H4 | 109.5° | 109.3° |
| H5 | C20 | H6 | 109.5° | 109.5° |
| H5 | C20 | H7 | 109.5° | 109.5° |
| H6 | C20 | H7 | 109.5° | 109.5° |
| H15 | C16 | H16 | 109.5° | 109.2° |
| H17 | C19 | H18 | 109.4° | 109.5° |
| H20 | C29 | H21 | 109.5° | 109.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | P02 | O04 | O03 | 126.9° | 120.0° |
| O01 | P02 | O04 | C05 | 115.8° | 120.0° |
| O01 | P02 | O03 | C05 | 112.7° | 120.0° |
| O01 | P02 | C05 | C10 | 29.4° | 65.0° |
| O01 | P02 | C05 | C06 | 153.8° | 115.0° |
| O01 | P02 | O03 | H9 | 0.0° | 180.0° |
| O01 | P02 | O04 | H10 | 0.0° | 60.1° |
| O04 | P02 | O03 | C05 | 119.5° | 120.0° |
| O04 | P02 | C05 | C10 | 149.5° | 55.0° |
| O04 | P02 | C05 | C06 | 33.8° | 125.0° |
| O04 | P02 | O03 | H9 | 127.8° | 60.0° |
| O03 | P02 | C05 | C10 | 86.7° | 175.0° |
| O03 | P02 | C05 | C06 | 90.1° | 4.9° |
| O03 | P02 | O04 | H10 | 126.9° | 59.9° |
| P02 | C05 | C10 | C06 | 176.7° | 180.0° |
| P02 | C05 | C10 | C09 | 178.2° | 180.0° |
| P02 | C05 | C06 | C07 | 178.0° | 180.0° |
| P02 | C05 | C10 | H1 | 1.8° | 0.2° |
| C05 | P02 | O03 | H9 | 112.7° | 60.0° |
| C05 | P02 | O04 | H10 | 115.8° | 180.0° |
| P02 | C05 | C06 | H11 | 2.0° | 0.1° |
| C05 | C10 | C09 | H1 | 180.0° | 179.8° |
| C10 | C05 | C06 | C07 | 1.3° | 0.1° |
| C05 | C10 | C09 | C08 | 0.1° | 0.1° |
| C10 | C05 | C06 | H11 | 178.7° | 180.0° |
| C05 | C10 | C09 | H13 | 179.9° | 179.7° |
| C06 | C05 | C10 | C09 | 1.5° | 0.1° |
| C05 | C06 | C07 | H11 | 180.0° | 179.9° |
| C05 | C06 | C07 | C08 | 0.2° | 0.1° |
| C06 | C05 | C10 | H1 | 178.5° | 179.7° |
| C05 | C06 | C07 | H12 | 179.9° | 180.0° |
| C10 | C09 | C08 | H13 | 180.0° | 179.6° |
| C10 | C09 | C08 | C07 | 1.4° | 0.1° |
| C10 | C09 | C08 | C11 | 178.1° | 180.0° |
| C06 | C07 | C08 | C09 | 1.6° | 0.1° |
| C06 | C07 | C08 | H12 | 180.0° | 179.9° |
| C06 | C07 | C08 | C11 | 178.4° | 180.0° |
| C09 | C08 | C07 | C11 | 176.8° | 179.9° |
| C09 | C08 | C11 | N12 | 21.3° | 40.1° |
| C09 | C08 | C11 | C25 | 103.4° | 79.9° |
| C08 | C09 | C10 | H1 | 179.9° | 179.7° |
| C09 | C08 | C07 | H12 | 178.5° | 179.9° |
| C09 | C08 | C11 | H14 | 138.4° | 160.0° |
| C07 | C08 | C11 | N12 | 155.6° | 140.1° |
| C07 | C08 | C11 | C25 | 79.8° | 100.0° |
| C08 | C07 | C06 | H11 | 179.8° | 180.0° |
| C07 | C08 | C09 | H13 | 178.6° | 179.8° |
| C07 | C08 | C11 | H14 | 38.5° | 20.1° |
| C33 | C32 | C31 | H23 | 180.0° | 180.0° |
| C32 | C33 | C34 | H24 | 180.0° | 180.0° |
| C33 | C32 | C31 | C30 | 0.4° | 0.0° |
| C32 | C33 | C34 | C38 | 3.9° | 0.0° |
| C32 | C33 | C34 | C35 | 177.8° | 180.0° |
| C33 | C32 | C31 | H22 | 179.6° | 180.0° |
| C31 | C32 | C33 | C34 | 2.0° | 0.2° |
| C32 | C31 | C30 | H22 | 180.0° | 180.0° |
| C32 | C31 | C30 | C38 | 0.9° | 0.5° |
| C32 | C31 | C30 | C29 | 179.3° | 179.3° |
| C31 | C32 | C33 | H24 | 178.0° | 179.8° |
| C08 | C11 | N12 | C25 | 128.4° | 120.0° |
| C08 | C11 | N12 | H14 | 116.4° | 120.0° |
| C08 | C11 | C25 | H14 | 118.0° | 120.0° |
| C08 | C11 | N12 | C13 | 78.2° | 85.0° |
| C08 | C11 | C25 | O26 | 83.4° | 119.9° |
| C08 | C11 | C25 | N27 | 103.4° | 60.0° |
| C08 | C11 | N12 | H2 | 101.9° | 94.9° |
| C11 | C08 | C07 | H12 | 1.7° | 0.1° |
| C11 | C08 | C09 | H13 | 1.9° | 0.3° |
| C33 | C34 | C38 | C35 | 174.1° | 180.0° |
| C33 | C34 | C38 | C30 | 3.4° | 0.5° |
| C33 | C34 | C35 | O37 | 42.4° | 180.0° |
| C33 | C34 | C38 | O39 | 179.3° | 178.6° |
| C33 | C34 | C35 | O36 | 132.5° | 0.0° |
| C34 | C33 | C32 | H23 | 178.0° | 179.7° |
| C31 | C30 | C38 | C34 | 1.0° | 0.8° |
| C31 | C30 | C38 | C29 | 178.5° | 179.8° |
| C31 | C30 | C38 | O39 | 177.1° | 178.3° |
| C31 | C30 | C29 | C28 | 132.5° | 159.5° |
| C31 | C30 | C29 | H20 | 13.2° | 39.2° |
| C31 | C30 | C29 | H21 | 108.1° | 80.3° |
| C30 | C31 | C32 | H23 | 179.6° | 180.0° |
| O14 | C13 | N12 | C11 | 0.3° | 5.0° |
| O14 | C13 | N12 | N15 | 179.6° | 180.0° |
| O14 | C13 | N15 | C16 | 0.4° | 174.6° |
| O14 | C13 | N15 | C23 | 178.5° | 5.3° |
| O14 | C13 | N12 | H2 | 179.7° | 175.1° |
| N12 | C11 | C25 | H14 | 115.7° | 120.0° |
| C11 | N12 | C13 | H2 | 180.0° | 179.9° |
| C11 | N12 | C13 | N15 | 179.8° | 175.0° |
| N12 | C11 | C25 | O26 | 42.8° | 0.0° |
| N12 | C11 | C25 | N27 | 130.4° | 180.0° |
| C25 | C11 | N12 | C13 | 153.5° | 155.0° |
| C11 | C25 | O26 | N27 | 172.9° | 179.9° |
| C11 | C25 | N27 | C28 | 179.1° | 180.0° |
| C25 | C11 | N12 | H2 | 26.5° | 25.0° |
| C11 | C25 | N27 | H19 | 0.9° | 0.0° |
| C34 | C38 | C30 | O39 | 176.1° | 179.1° |
| C34 | C38 | C30 | C29 | 177.5° | 179.0° |
| C38 | C34 | C35 | O37 | 143.7° | 0.1° |
| C38 | C34 | C35 | O36 | 41.4° | 180.0° |
| C34 | C38 | O39 | B40 | 117.4° | 169.6° |
| C38 | C34 | C33 | H24 | 176.1° | 180.0° |
| C35 | C34 | C38 | C30 | 177.5° | 179.5° |
| C34 | C35 | O37 | O36 | 174.8° | 180.0° |
| C35 | C34 | C38 | O39 | 6.6° | 1.4° |
| C35 | C34 | C33 | H24 | 2.2° | 0.0° |
| C34 | C35 | O36 | H25 | 175.2° | 179.9° |
| C38 | C30 | C29 | C28 | 45.9° | 20.7° |
| C30 | C38 | O39 | B40 | 58.8° | 11.4° |
| C38 | C30 | C29 | H20 | 165.2° | 141.0° |
| C38 | C30 | C29 | H21 | 73.4° | 99.5° |
| C38 | C30 | C31 | H22 | 179.1° | 179.5° |
| C29 | C30 | C38 | O39 | 1.4° | 1.9° |
| C30 | C29 | C28 | H20 | 119.3° | 120.3° |
| C30 | C29 | C28 | H21 | 119.4° | 120.1° |
| C30 | C29 | C28 | N27 | 75.4° | 162.8° |
| C30 | C29 | C28 | B40 | 40.7° | 43.4° |
| C30 | C29 | C28 | H8 | 166.3° | 76.0° |
| C30 | C29 | H20 | H21 | 121.9° | 119.4° |
| C29 | C30 | C31 | H22 | 0.7° | 0.7° |
| N12 | C13 | N15 | C16 | 179.2° | 5.4° |
| N12 | C13 | N15 | C23 | 1.9° | 174.7° |
| C13 | N12 | C11 | H14 | 38.3° | 35.0° |
| C13 | N15 | C16 | C23 | 178.9° | 179.9° |
| C13 | N15 | C16 | C17 | 140.4° | 142.5° |
| C13 | N15 | C23 | O24 | 4.0° | 6.1° |
| C13 | N15 | C23 | C21 | 174.0° | 174.0° |
| N15 | C13 | N12 | H2 | 0.2° | 4.9° |
| C13 | N15 | C16 | H15 | 20.1° | 22.1° |
| C13 | N15 | C16 | H16 | 99.2° | 97.3° |
| O37 | C35 | O36 | H25 | 0.0° | 0.1° |
| O26 | C25 | N27 | C28 | 6.1° | 0.1° |
| O26 | C25 | C11 | H14 | 158.6° | 120.1° |
| O26 | C25 | N27 | H19 | 173.9° | 180.0° |
| C25 | N27 | C28 | C29 | 55.5° | 137.6° |
| C25 | N27 | C28 | H19 | 180.0° | 180.0° |
| C25 | N27 | C28 | B40 | 179.2° | 105.0° |
| C25 | N27 | C28 | H8 | 62.5° | 16.3° |
| N27 | C25 | C11 | H14 | 14.7° | 60.0° |
| N15 | C16 | C17 | H15 | 120.4° | 120.3° |
| N15 | C16 | C17 | H16 | 120.3° | 120.2° |
| C16 | N15 | C23 | O24 | 177.1° | 174.0° |
| C16 | N15 | C23 | C21 | 4.9° | 6.0° |
| N15 | C16 | C17 | N18 | 54.1° | 51.5° |
| N15 | C16 | C17 | H3 | 66.9° | 171.8° |
| N15 | C16 | C17 | H4 | 175.0° | 68.7° |
| N15 | C16 | H15 | H16 | 118.9° | 119.4° |
| C17 | C16 | N15 | C23 | 38.5° | 37.4° |
| C16 | C17 | N18 | C21 | 37.0° | 37.5° |
| C16 | C17 | N18 | H3 | 121.0° | 120.3° |
| C16 | C17 | N18 | H4 | 121.0° | 120.2° |
| C16 | C17 | N18 | C19 | 145.7° | 142.5° |
| C16 | C17 | H3 | H4 | 117.0° | 119.5° |
| C17 | C16 | H15 | H16 | 118.9° | 119.4° |
| N15 | C23 | O24 | C21 | 178.1° | 180.0° |
| N15 | C23 | C21 | O22 | 167.5° | 168.2° |
| N15 | C23 | C21 | N18 | 12.7° | 11.7° |
| C23 | N15 | C16 | H15 | 158.9° | 157.8° |
| C23 | N15 | C16 | H16 | 81.8° | 82.8° |
| C38 | O39 | B40 | C28 | 60.4° | 40.2° |
| C38 | O39 | B40 | O41 | 74.0° | 139.8° |
| C29 | C28 | N27 | B40 | 123.7° | 117.5° |
| C29 | C28 | N27 | H8 | 118.0° | 121.3° |
| C29 | C28 | B40 | H8 | 126.0° | 119.4° |
| C29 | C28 | B40 | O39 | 9.2° | 57.2° |
| C29 | C28 | B40 | O41 | 121.8° | 122.8° |
| C29 | C28 | N27 | H19 | 124.5° | 42.5° |
| C28 | C29 | H20 | H21 | 121.9° | 119.7° |
| O24 | C23 | C21 | O22 | 14.5° | 11.8° |
| O24 | C23 | C21 | N18 | 165.4° | 168.3° |
| C23 | C21 | O22 | N18 | 179.9° | 180.0° |
| C23 | C21 | N18 | C17 | 1.4° | 6.0° |
| C23 | C21 | N18 | C19 | 178.7° | 174.0° |
| N27 | C28 | B40 | H8 | 119.2° | 121.2° |
| N27 | C28 | B40 | O39 | 124.0° | 176.6° |
| N27 | C28 | B40 | O41 | 7.0° | 3.4° |
| N27 | C28 | C29 | H20 | 43.9° | 77.0° |
| N27 | C28 | C29 | H21 | 165.2° | 42.7° |
| O22 | C21 | N18 | C17 | 178.5° | 174.0° |
| O22 | C21 | N18 | C19 | 1.2° | 6.0° |
| C21 | N18 | C17 | C19 | 177.3° | 180.0° |
| C21 | N18 | C19 | C20 | 125.0° | 90.0° |
| C21 | N18 | C17 | H3 | 84.0° | 157.8° |
| C21 | N18 | C17 | H4 | 157.9° | 82.7° |
| C21 | N18 | C19 | H17 | 115.0° | 150.0° |
| C21 | N18 | C19 | H18 | 5.0° | 30.0° |
| C17 | N18 | C19 | C20 | 52.0° | 90.0° |
| N18 | C17 | H3 | H4 | 117.0° | 119.5° |
| N18 | C17 | C16 | H15 | 174.4° | 171.8° |
| N18 | C17 | C16 | H16 | 66.3° | 68.7° |
| C17 | N18 | C19 | H17 | 67.9° | 30.0° |
| C17 | N18 | C19 | H18 | 172.1° | 150.0° |
| C28 | B40 | O39 | O41 | 134.4° | 180.0° |
| B40 | C28 | N27 | H19 | 0.8° | 75.0° |
| B40 | C28 | C29 | H20 | 160.0° | 163.7° |
| B40 | C28 | C29 | H21 | 78.7° | 76.7° |
| C28 | B40 | O41 | H26 | 128.2° | 180.0° |
| N18 | C19 | C20 | H17 | 120.0° | 120.0° |
| N18 | C19 | C20 | H18 | 120.0° | 120.0° |
| C19 | N18 | C17 | H3 | 93.3° | 22.2° |
| C19 | N18 | C17 | H4 | 24.7° | 97.3° |
| N18 | C19 | C20 | H5 | 180.0° | 60.0° |
| N18 | C19 | C20 | H6 | 60.0° | 60.0° |
| N18 | C19 | C20 | H7 | 60.0° | 180.0° |
| N18 | C19 | H17 | H18 | 120.0° | 120.0° |
| O39 | B40 | C28 | H8 | 116.8° | 62.2° |
| O39 | B40 | O41 | H26 | 0.0° | 0.0° |
| O41 | B40 | C28 | H8 | 112.2° | 117.8° |
| C19 | C20 | H5 | H6 | 120.0° | 119.9° |
| C19 | C20 | H5 | H7 | 120.0° | 120.0° |
| C19 | C20 | H6 | H7 | 120.0° | 120.0° |
| C20 | C19 | H17 | H18 | 120.0° | 120.0° |
| H1 | C10 | C09 | H13 | 0.1° | 0.0° |
| H2 | N12 | C11 | H14 | 141.7° | 145.1° |
| H3 | C17 | C16 | H15 | 53.5° | 67.9° |
| H3 | C17 | C16 | H16 | 172.8° | 51.5° |
| H4 | C17 | C16 | H15 | 64.6° | 51.6° |
| H4 | C17 | C16 | H16 | 54.7° | 171.1° |
| H5 | C20 | H6 | H7 | 120.0° | 120.0° |
| H5 | C20 | C19 | H17 | 60.0° | 60.0° |
| H5 | C20 | C19 | H18 | 60.0° | 180.0° |
| H6 | C20 | C19 | H17 | 180.0° | 180.0° |
| H6 | C20 | C19 | H18 | 60.0° | 60.0° |
| H7 | C20 | C19 | H17 | 60.0° | 60.0° |
| H7 | C20 | C19 | H18 | 180.0° | 60.0° |
| H8 | C28 | N27 | H19 | 117.5° | 163.8° |
| H8 | C28 | C29 | H20 | 74.4° | 44.3° |
| H8 | C28 | C29 | H21 | 46.9° | 164.0° |
| H11 | C06 | C07 | H12 | 0.1° | 0.0° |
| H22 | C31 | C32 | H23 | 0.4° | 0.0° |
| H23 | C32 | C33 | H24 | 2.0° | 0.3° |
