A1JCG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C30 | C31 | sing | 1.55Å | 1.53Å | |
| C30 | C29 | sing | 1.55Å | 1.55Å | |
| C31 | C27 | sing | 1.54Å | 1.53Å | |
| C29 | C28 | sing | 1.54Å | 1.54Å | |
| C27 | C28 | sing | 1.54Å | 1.55Å | |
| C27 | N26 | sing | 1.47Å | 1.46Å | |
| N26 | C25 | sing | 1.38Å | 1.38Å | |
| C25 | N32 | doub | 1.33Å | 1.35Å | Aromatic |
| C25 | C24 | sing | 1.41Å | 1.44Å | Aromatic |
| N32 | C33 | sing | 1.32Å | 1.33Å | Aromatic |
| C23 | C24 | sing | 1.41Å | 1.43Å | Aromatic |
| C23 | N22 | doub | 1.30Å | 1.30Å | Aromatic |
| C24 | C36 | doub | 1.41Å | 1.42Å | Aromatic |
| C33 | CL34 | sing | 1.74Å | 1.75Å | |
| C33 | N35 | doub | 1.32Å | 1.33Å | Aromatic |
| N22 | N21 | sing | 1.40Å | 1.39Å | Aromatic |
| C36 | N35 | sing | 1.33Å | 1.35Å | Aromatic |
| C36 | N21 | sing | 1.36Å | 1.35Å | Aromatic |
| N21 | C19 | sing | 1.47Å | 1.45Å | |
| C37 | C40 | sing | 1.55Å | 1.53Å | |
| C37 | O39 | sing | 1.43Å | 1.43Å | |
| C37 | C19 | sing | 1.55Å | 1.54Å | |
| O42 | C40 | sing | 1.43Å | 1.43Å | |
| C40 | C16 | sing | 1.54Å | 1.53Å | |
| C19 | O18 | sing | 1.44Å | 1.44Å | |
| O3 | P2 | doub | 1.48Å | 1.60Å | |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C16 | O18 | sing | 1.44Å | 1.44Å | |
| C15 | O14 | sing | 1.43Å | 1.45Å | |
| C12 | O13 | sing | 1.43Å | 1.43Å | |
| C12 | C5 | sing | 1.53Å | 1.54Å | |
| P2 | O1 | sing | 1.61Å | 1.48Å | |
| P2 | C5 | sing | 1.82Å | 1.82Å | |
| P2 | O4 | sing | 1.61Å | 1.61Å | |
| O14 | C5 | sing | 1.43Å | 1.44Å | |
| C5 | C6 | sing | 1.53Å | 1.55Å | |
| C6 | C7 | sing | 1.51Å | 1.51Å | |
| C7 | N8 | sing | 1.33Å | 1.35Å | Aromatic |
| C7 | N11 | doub | 1.31Å | 1.31Å | Aromatic |
| N8 | N9 | doub | 1.29Å | 1.29Å | Aromatic |
| N11 | N10 | sing | 1.29Å | 1.29Å | Aromatic |
| N9 | N10 | sing | 1.29Å | 1.29Å | Aromatic |
| C6 | H1 | sing | 1.09Å | 1.10Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| N10 | H3 | sing | 0.97Å | 1.00Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C23 | H10 | sing | 1.08Å | 1.08Å | |
| C27 | H11 | sing | 1.09Å | 1.10Å | |
| C30 | H12 | sing | 1.09Å | 1.10Å | |
| C30 | H13 | sing | 1.09Å | 1.10Å | |
| C31 | H14 | sing | 1.09Å | 1.10Å | |
| C31 | H15 | sing | 1.09Å | 1.10Å | |
| C37 | H16 | sing | 1.09Å | 1.10Å | |
| C40 | H17 | sing | 1.09Å | 1.10Å | |
| O42 | H18 | sing | 0.97Å | 0.95Å | |
| O1 | H19 | sing | 0.97Å | 0.95Å | |
| O4 | H20 | sing | 0.97Å | 0.95Å | |
| O13 | H21 | sing | 0.97Å | 0.95Å | |
| N26 | H22 | sing | 0.97Å | 1.00Å | |
| C28 | H23 | sing | 1.09Å | 1.10Å | |
| C28 | H24 | sing | 1.09Å | 1.10Å | |
| C29 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | H26 | sing | 1.09Å | 1.10Å | |
| O39 | H27 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C31 | C30 | C29 | 104.5° | 102.7° |
| C30 | C31 | C27 | 105.3° | 104.2° |
| C31 | C30 | H12 | 110.7° | 110.8° |
| C31 | C30 | H13 | 110.7° | 110.7° |
| C30 | C31 | H14 | 110.5° | 110.5° |
| C30 | C31 | H15 | 110.5° | 110.5° |
| C30 | C29 | C28 | 101.7° | 104.2° |
| C29 | C30 | H12 | 110.7° | 110.8° |
| C29 | C30 | H13 | 110.7° | 110.8° |
| C30 | C29 | H25 | 111.4° | 110.5° |
| C30 | C29 | H26 | 111.4° | 110.5° |
| C31 | C27 | C28 | 107.2° | 106.6° |
| C31 | C27 | N26 | 110.1° | 110.0° |
| C31 | C27 | H11 | 110.1° | 110.0° |
| C27 | C31 | H14 | 110.5° | 110.5° |
| C27 | C31 | H15 | 110.5° | 110.5° |
| C29 | C28 | C27 | 104.5° | 106.6° |
| C29 | C28 | H23 | 110.7° | 110.0° |
| C29 | C28 | H24 | 110.7° | 110.0° |
| C28 | C29 | H25 | 111.4° | 110.5° |
| C28 | C29 | H26 | 111.4° | 110.5° |
| C28 | C27 | N26 | 108.3° | 110.0° |
| C28 | C27 | H11 | 109.9° | 110.0° |
| C27 | C28 | H23 | 110.7° | 110.1° |
| C27 | C28 | H24 | 110.7° | 110.1° |
| C27 | N26 | C25 | 125.9° | 120.0° |
| N26 | C27 | H11 | 111.1° | 110.0° |
| C27 | N26 | H22 | 105.2° | 120.0° |
| N26 | C25 | N32 | 114.7° | 120.8° |
| N26 | C25 | C24 | 126.7° | 120.8° |
| C25 | N26 | H22 | 105.2° | 120.0° |
| N32 | C25 | C24 | 118.6° | 118.4° |
| C25 | N32 | C33 | 122.7° | 121.2° |
| C25 | C24 | C23 | 138.9° | 134.7° |
| C25 | C24 | C36 | 115.9° | 118.3° |
| N32 | C33 | CL34 | 120.6° | 118.7° |
| N32 | C33 | N35 | 120.5° | 122.5° |
| C24 | C23 | N22 | 109.9° | 108.5° |
| C23 | C24 | C36 | 105.2° | 107.0° |
| C24 | C23 | H10 | 125.0° | 125.8° |
| C23 | N22 | N21 | 108.4° | 109.7° |
| N22 | C23 | H10 | 125.1° | 125.7° |
| C24 | C36 | N35 | 120.6° | 118.9° |
| C24 | C36 | N21 | 106.8° | 106.5° |
| CL34 | C33 | N35 | 118.9° | 118.7° |
| C33 | N35 | C36 | 121.7° | 120.7° |
| N22 | N21 | C36 | 109.8° | 108.3° |
| N22 | N21 | C19 | 127.2° | 125.9° |
| N35 | C36 | N21 | 132.6° | 134.6° |
| C36 | N21 | C19 | 123.0° | 125.8° |
| N21 | C19 | C37 | 111.3° | 110.7° |
| N21 | C19 | O18 | 109.4° | 110.6° |
| N21 | C19 | H9 | 109.8° | 110.6° |
| C40 | C37 | O39 | 113.5° | 110.9° |
| C40 | C37 | C19 | 102.4° | 102.1° |
| C37 | C40 | O42 | 114.6° | 110.4° |
| C37 | C40 | C16 | 101.0° | 104.2° |
| C40 | C37 | H16 | 110.9° | 110.9° |
| C37 | C40 | H17 | 109.9° | 110.4° |
| O39 | C37 | C19 | 106.1° | 110.9° |
| O39 | C37 | H16 | 112.5° | 110.8° |
| C37 | O39 | H27 | 109.5° | 113.9° |
| C37 | C19 | O18 | 107.9° | 103.5° |
| C37 | C19 | H9 | 108.6° | 110.6° |
| C19 | C37 | H16 | 110.9° | 110.9° |
| O42 | C40 | C16 | 109.6° | 110.5° |
| O42 | C40 | H17 | 111.4° | 110.5° |
| C40 | O42 | H18 | 109.5° | 114.1° |
| C40 | C16 | C15 | 108.9° | 109.9° |
| C40 | C16 | O18 | 105.9° | 107.3° |
| C40 | C16 | H8 | 110.9° | 110.1° |
| C16 | C40 | H17 | 109.8° | 110.5° |
| C19 | O18 | C16 | 108.4° | 107.0° |
| O18 | C19 | H9 | 109.9° | 110.6° |
| O3 | P2 | O1 | 105.5° | 109.5° |
| O3 | P2 | C5 | 113.0° | 109.5° |
| O3 | P2 | O4 | 109.2° | 109.4° |
| C15 | C16 | O18 | 107.4° | 109.8° |
| C16 | C15 | O14 | 110.7° | 109.5° |
| C16 | C15 | H6 | 109.2° | 109.4° |
| C16 | C15 | H7 | 109.1° | 109.4° |
| C15 | C16 | H8 | 111.2° | 109.9° |
| O18 | C16 | H8 | 112.4° | 109.9° |
| C15 | O14 | C5 | 119.9° | 114.0° |
| O14 | C15 | H6 | 109.1° | 109.5° |
| O14 | C15 | H7 | 109.2° | 109.5° |
| O13 | C12 | C5 | 111.0° | 109.5° |
| O13 | C12 | H4 | 109.1° | 109.5° |
| O13 | C12 | H5 | 109.0° | 109.4° |
| C12 | O13 | H21 | 109.5° | 114.0° |
| C12 | C5 | P2 | 109.3° | 109.5° |
| C12 | C5 | O14 | 109.2° | 109.5° |
| C12 | C5 | C6 | 105.8° | 109.4° |
| C5 | C12 | H4 | 109.1° | 109.4° |
| C5 | C12 | H5 | 109.1° | 109.5° |
| O1 | P2 | C5 | 106.2° | 109.5° |
| O1 | P2 | O4 | 111.7° | 109.5° |
| P2 | O1 | H19 | 109.5° | 114.0° |
| C5 | P2 | O4 | 111.1° | 109.5° |
| P2 | C5 | O14 | 109.3° | 109.5° |
| P2 | C5 | C6 | 111.2° | 109.5° |
| P2 | O4 | H20 | 109.5° | 113.9° |
| O14 | C5 | C6 | 111.8° | 109.5° |
| C5 | C6 | C7 | 120.1° | 109.5° |
| C5 | C6 | H1 | 106.8° | 109.5° |
| C5 | C6 | H2 | 106.8° | 109.4° |
| C6 | C7 | N8 | 128.9° | 126.5° |
| C6 | C7 | N11 | 125.1° | 126.5° |
| C7 | C6 | H1 | 106.8° | 109.5° |
| C7 | C6 | H2 | 106.7° | 109.5° |
| N8 | C7 | N11 | 105.9° | 106.9° |
| C7 | N8 | N9 | 107.6° | 107.3° |
| C7 | N11 | N10 | 108.7° | 107.9° |
| N8 | N9 | N10 | 108.7° | 108.7° |
| N11 | N10 | N9 | 109.1° | 109.1° |
| N11 | N10 | H3 | 125.4° | 125.5° |
| N9 | N10 | H3 | 125.4° | 125.4° |
| H1 | C6 | H2 | 109.5° | 109.5° |
| H4 | C12 | H5 | 109.5° | 109.5° |
| H6 | C15 | H7 | 109.5° | 109.5° |
| H12 | C30 | H13 | 109.5° | 110.8° |
| H14 | C31 | H15 | 109.5° | 110.6° |
| H23 | C28 | H24 | 109.5° | 110.0° |
| H25 | C29 | H26 | 109.5° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C31 | C30 | C29 | H12 | 119.2° | 118.4° |
| C31 | C30 | C29 | H13 | 119.2° | 118.3° |
| C30 | C31 | C27 | H14 | 119.3° | 118.7° |
| C30 | C31 | C27 | H15 | 119.3° | 118.7° |
| C31 | C30 | C29 | C28 | 40.9° | 37.9° |
| C30 | C31 | C27 | C28 | 6.2° | 23.6° |
| C30 | C31 | C27 | N26 | 111.4° | 95.7° |
| C30 | C31 | C27 | H11 | 125.7° | 142.9° |
| C31 | C30 | H12 | H13 | 122.3° | 123.3° |
| C30 | C31 | H14 | H15 | 122.0° | 122.6° |
| C31 | C30 | C29 | H25 | 77.8° | 80.8° |
| C31 | C30 | C29 | H26 | 159.7° | 156.6° |
| C29 | C30 | C31 | C27 | 29.3° | 37.9° |
| C30 | C29 | C28 | H25 | 118.7° | 118.7° |
| C30 | C29 | C28 | H26 | 118.8° | 118.7° |
| C30 | C29 | C28 | C27 | 36.6° | 23.6° |
| C29 | C30 | H12 | H13 | 122.3° | 123.3° |
| C29 | C30 | C31 | H14 | 148.6° | 80.8° |
| C29 | C30 | C31 | H15 | 90.0° | 156.6° |
| C30 | C29 | C28 | H23 | 155.8° | 95.7° |
| C30 | C29 | C28 | H24 | 82.6° | 143.0° |
| C30 | C29 | H25 | H26 | 123.6° | 122.6° |
| C31 | C27 | C28 | C29 | 19.3° | 0.0° |
| C31 | C27 | C28 | N26 | 118.8° | 119.3° |
| C31 | C27 | C28 | H11 | 119.7° | 119.3° |
| C31 | C27 | N26 | H11 | 122.3° | 121.4° |
| C31 | C27 | N26 | C25 | 138.5° | 87.8° |
| C27 | C31 | C30 | H12 | 148.5° | 156.3° |
| C27 | C31 | C30 | H13 | 89.9° | 80.4° |
| C27 | C31 | H14 | H15 | 122.0° | 122.6° |
| C31 | C27 | N26 | H22 | 99.4° | 92.2° |
| C31 | C27 | C28 | H23 | 138.5° | 119.3° |
| C31 | C27 | C28 | H24 | 99.9° | 119.3° |
| C29 | C28 | C27 | H23 | 119.2° | 119.3° |
| C29 | C28 | C27 | H24 | 119.2° | 119.3° |
| C29 | C28 | C27 | N26 | 138.0° | 119.3° |
| C29 | C28 | C27 | H11 | 100.4° | 119.3° |
| C28 | C29 | C30 | H12 | 160.2° | 156.3° |
| C28 | C29 | C30 | H13 | 78.3° | 80.3° |
| C29 | C28 | H23 | H24 | 122.3° | 121.4° |
| C28 | C29 | H25 | H26 | 123.6° | 122.6° |
| C28 | C27 | N26 | H11 | 120.8° | 121.4° |
| C28 | C27 | N26 | C25 | 104.6° | 155.0° |
| C28 | C27 | C31 | H14 | 125.5° | 95.1° |
| C28 | C27 | C31 | H15 | 113.1° | 142.3° |
| C28 | C27 | N26 | H22 | 17.5° | 25.0° |
| C27 | C28 | H23 | H24 | 122.3° | 121.4° |
| C27 | C28 | C29 | H25 | 82.1° | 95.1° |
| C27 | C28 | C29 | H26 | 155.4° | 142.3° |
| C27 | N26 | C25 | H22 | 122.2° | 180.0° |
| C27 | N26 | C25 | N32 | 164.3° | 0.0° |
| C27 | N26 | C25 | C24 | 16.0° | 180.0° |
| N26 | C27 | C31 | H14 | 7.9° | 145.6° |
| N26 | C27 | C31 | H15 | 129.3° | 22.9° |
| N26 | C27 | C28 | H23 | 102.7° | 0.0° |
| N26 | C27 | C28 | H24 | 18.8° | 121.4° |
| N26 | C25 | N32 | C24 | 179.7° | 180.0° |
| N26 | C25 | N32 | C33 | 179.8° | 180.0° |
| N26 | C25 | C24 | C23 | 0.1° | 0.1° |
| N26 | C25 | C24 | C36 | 180.0° | 180.0° |
| C25 | N26 | C27 | H11 | 16.1° | 33.6° |
| N32 | C25 | C24 | C23 | 179.8° | 179.9° |
| N32 | C25 | C24 | C36 | 0.2° | 0.0° |
| C25 | N32 | C33 | CL34 | 179.9° | 180.0° |
| C25 | N32 | C33 | N35 | 0.3° | 0.0° |
| N32 | C25 | N26 | H22 | 73.5° | 180.0° |
| C24 | C25 | N32 | C33 | 0.0° | 0.0° |
| C25 | C24 | C23 | C36 | 179.9° | 180.0° |
| C25 | C24 | C23 | N22 | 179.7° | 179.9° |
| C25 | C24 | C36 | N35 | 0.1° | 0.0° |
| C25 | C24 | C36 | N21 | 179.7° | 180.0° |
| C25 | C24 | C23 | H10 | 0.2° | 0.1° |
| C24 | C25 | N26 | H22 | 106.2° | 0.0° |
| N32 | C33 | CL34 | N35 | 179.5° | 180.0° |
| N32 | C33 | N35 | C36 | 0.5° | 0.0° |
| C24 | C23 | N22 | H10 | 180.0° | 180.0° |
| C24 | C23 | N22 | N21 | 0.1° | 0.0° |
| C23 | C24 | C36 | N35 | 179.9° | 180.0° |
| C23 | C24 | C36 | N21 | 0.2° | 0.0° |
| N22 | C23 | C24 | C36 | 0.2° | 0.0° |
| C23 | N22 | N21 | C36 | 0.0° | 0.0° |
| C23 | N22 | N21 | C19 | 179.9° | 180.0° |
| C24 | C36 | N35 | C33 | 0.2° | 0.0° |
| C24 | C36 | N21 | N22 | 0.2° | 0.0° |
| C24 | C36 | N35 | N21 | 179.8° | 180.0° |
| C24 | C36 | N21 | C19 | 180.0° | 180.0° |
| C36 | C24 | C23 | H10 | 179.8° | 180.0° |
| CL34 | C33 | N35 | C36 | 180.0° | 180.0° |
| C33 | N35 | C36 | N21 | 179.9° | 180.0° |
| N22 | N21 | C36 | N35 | 180.0° | 179.9° |
| N22 | N21 | C36 | C19 | 179.8° | 180.0° |
| N22 | N21 | C19 | C37 | 83.4° | 70.6° |
| N22 | N21 | C19 | O18 | 35.8° | 43.5° |
| N22 | N21 | C19 | H9 | 156.4° | 166.4° |
| N21 | N22 | C23 | H10 | 179.9° | 180.0° |
| N35 | C36 | N21 | C19 | 0.2° | 0.0° |
| C36 | N21 | C19 | C37 | 96.8° | 109.4° |
| C36 | N21 | C19 | O18 | 144.0° | 136.5° |
| C36 | N21 | C19 | H9 | 23.4° | 13.6° |
| N21 | C19 | C37 | C40 | 98.3° | 155.6° |
| N21 | C19 | C37 | O39 | 142.5° | 86.2° |
| N21 | C19 | C37 | O18 | 120.0° | 118.5° |
| N21 | C19 | C37 | H9 | 120.9° | 123.0° |
| N21 | C19 | O18 | H9 | 120.5° | 122.9° |
| N21 | C19 | O18 | C16 | 122.7° | 158.7° |
| N21 | C19 | C37 | H16 | 20.0° | 37.4° |
| C40 | C37 | O39 | C19 | 111.7° | 112.7° |
| C40 | C37 | O39 | H16 | 126.9° | 123.7° |
| C40 | C37 | C19 | H16 | 118.3° | 118.2° |
| C37 | C40 | O42 | C16 | 112.8° | 114.8° |
| C37 | C40 | O42 | H17 | 125.5° | 122.5° |
| C37 | C40 | C16 | H17 | 116.0° | 118.7° |
| C40 | C37 | C19 | O18 | 21.7° | 37.0° |
| C37 | C40 | C16 | C15 | 152.2° | 121.4° |
| C37 | C40 | C16 | O18 | 37.0° | 2.0° |
| C37 | C40 | C16 | H8 | 85.2° | 117.5° |
| C40 | C37 | C19 | H9 | 140.8° | 81.5° |
| C37 | C40 | O42 | H18 | 180.0° | 61.5° |
| C40 | C37 | O39 | H27 | 180.0° | 61.5° |
| O39 | C37 | C19 | H16 | 122.4° | 123.6° |
| O39 | C37 | C40 | O42 | 38.3° | 20.3° |
| O39 | C37 | C40 | C16 | 79.4° | 139.0° |
| O39 | C37 | C19 | O18 | 97.5° | 155.2° |
| O39 | C37 | C19 | H9 | 21.5° | 36.7° |
| O39 | C37 | C40 | H17 | 164.6° | 102.2° |
| C19 | C37 | C40 | O42 | 152.3° | 97.8° |
| C19 | C37 | C40 | C16 | 34.5° | 20.9° |
| C37 | C19 | O18 | H9 | 118.2° | 118.5° |
| C37 | C19 | O18 | C16 | 1.4° | 40.1° |
| C19 | C37 | C40 | H17 | 81.5° | 139.6° |
| C19 | C37 | O39 | H27 | 68.3° | 174.2° |
| O42 | C40 | C16 | H17 | 122.7° | 122.7° |
| O42 | C40 | C16 | C15 | 86.5° | 119.9° |
| O42 | C40 | C16 | O18 | 158.3° | 120.7° |
| O42 | C40 | C16 | H8 | 36.1° | 1.2° |
| O42 | C40 | C37 | H16 | 89.4° | 143.9° |
| C40 | C16 | O18 | C19 | 24.3° | 26.6° |
| C40 | C16 | C15 | O18 | 114.2° | 117.8° |
| C40 | C16 | C15 | H8 | 122.4° | 121.2° |
| C40 | C16 | O18 | H8 | 121.2° | 119.6° |
| C40 | C16 | C15 | O14 | 156.4° | 175.7° |
| C40 | C16 | C15 | H6 | 36.3° | 64.2° |
| C40 | C16 | C15 | H7 | 83.3° | 55.7° |
| C16 | C40 | C37 | H16 | 152.8° | 97.3° |
| C16 | C40 | O42 | H18 | 67.2° | 176.3° |
| C19 | O18 | C16 | C15 | 140.5° | 146.0° |
| C19 | O18 | C16 | H8 | 96.9° | 93.1° |
| O18 | C19 | C37 | H16 | 140.1° | 81.2° |
| O3 | P2 | C5 | C12 | 50.3° | 75.4° |
| O3 | P2 | O1 | C5 | 120.2° | 120.0° |
| O3 | P2 | O1 | O4 | 118.5° | 120.0° |
| O3 | P2 | C5 | O4 | 123.2° | 120.0° |
| O3 | P2 | C5 | O14 | 69.2° | 164.5° |
| O3 | P2 | C5 | C6 | 166.8° | 44.5° |
| O3 | P2 | O1 | H19 | 0.0° | 60.0° |
| O3 | P2 | O4 | H20 | 0.0° | 173.9° |
| C15 | C16 | O18 | H8 | 122.6° | 120.9° |
| C16 | C15 | O14 | H6 | 120.2° | 120.0° |
| C16 | C15 | O14 | H7 | 120.2° | 119.9° |
| C16 | C15 | O14 | C5 | 166.1° | 174.6° |
| C16 | C15 | H6 | H7 | 119.4° | 119.9° |
| C15 | C16 | C40 | H17 | 36.2° | 2.8° |
| O18 | C16 | C15 | O14 | 89.3° | 66.5° |
| O18 | C16 | C15 | H6 | 150.5° | 53.6° |
| O18 | C16 | C15 | H7 | 30.9° | 173.5° |
| C16 | O18 | C19 | H9 | 116.8° | 78.4° |
| O18 | C16 | C40 | H17 | 79.0° | 116.6° |
| C15 | O14 | C5 | C12 | 54.9° | 63.1° |
| C15 | O14 | C5 | P2 | 64.7° | 56.9° |
| C15 | O14 | C5 | C6 | 171.6° | 176.9° |
| O14 | C15 | H6 | H7 | 119.4° | 120.0° |
| O14 | C15 | C16 | H8 | 34.0° | 54.5° |
| O13 | C12 | C5 | H4 | 120.2° | 120.0° |
| O13 | C12 | C5 | H5 | 120.2° | 120.0° |
| O13 | C12 | C5 | P2 | 165.8° | 180.0° |
| O13 | C12 | C5 | O14 | 46.2° | 60.0° |
| O13 | C12 | C5 | C6 | 74.3° | 60.0° |
| O13 | C12 | H4 | H5 | 119.2° | 120.0° |
| C12 | C5 | P2 | O1 | 64.9° | 164.6° |
| C12 | C5 | P2 | O14 | 119.5° | 120.0° |
| C12 | C5 | P2 | C6 | 116.4° | 119.9° |
| C12 | C5 | P2 | O4 | 173.5° | 44.5° |
| C12 | C5 | O14 | C6 | 116.8° | 120.0° |
| C12 | C5 | C6 | C7 | 169.4° | 55.0° |
| C12 | C5 | C6 | H1 | 47.9° | 65.0° |
| C12 | C5 | C6 | H2 | 69.1° | 175.0° |
| C5 | C12 | H4 | H5 | 119.3° | 120.0° |
| C5 | C12 | O13 | H21 | 180.0° | 180.0° |
| O1 | P2 | C5 | O4 | 121.7° | 120.0° |
| O1 | P2 | C5 | O14 | 175.6° | 44.5° |
| O1 | P2 | C5 | C6 | 51.6° | 75.5° |
| O1 | P2 | O4 | H20 | 116.3° | 66.2° |
| P2 | C5 | O14 | C6 | 123.6° | 120.0° |
| P2 | C5 | C6 | C7 | 72.0° | 175.0° |
| P2 | C5 | C6 | H1 | 166.5° | 54.9° |
| P2 | C5 | C6 | H2 | 49.5° | 65.0° |
| P2 | C5 | C12 | H4 | 73.9° | 60.0° |
| P2 | C5 | C12 | H5 | 45.6° | 60.0° |
| C5 | P2 | O1 | H19 | 120.2° | 180.0° |
| C5 | P2 | O4 | H20 | 125.3° | 53.9° |
| O4 | P2 | C5 | O14 | 53.9° | 75.5° |
| O4 | P2 | C5 | C6 | 70.1° | 164.5° |
| O4 | P2 | O1 | H19 | 118.5° | 59.9° |
| O14 | C5 | C6 | C7 | 50.6° | 65.0° |
| O14 | C5 | C6 | H1 | 70.9° | 175.0° |
| O14 | C5 | C6 | H2 | 172.1° | 55.0° |
| O14 | C5 | C12 | H4 | 166.4° | 60.0° |
| O14 | C5 | C12 | H5 | 74.0° | 180.0° |
| C5 | O14 | C15 | H6 | 45.9° | 65.4° |
| C5 | O14 | C15 | H7 | 73.8° | 54.6° |
| C5 | C6 | C7 | H1 | 121.5° | 120.0° |
| C5 | C6 | C7 | H2 | 121.5° | 120.0° |
| C5 | C6 | C7 | N8 | 59.9° | 90.1° |
| C5 | C6 | C7 | N11 | 125.1° | 90.3° |
| C5 | C6 | H1 | H2 | 115.2° | 119.9° |
| C6 | C5 | C12 | H4 | 45.9° | 180.0° |
| C6 | C5 | C12 | H5 | 165.5° | 60.0° |
| C6 | C7 | N8 | N11 | 175.8° | 179.7° |
| C6 | C7 | N8 | N9 | 177.9° | 180.0° |
| C6 | C7 | N11 | N10 | 178.4° | 179.9° |
| C7 | C6 | H1 | H2 | 115.2° | 120.1° |
| N8 | C7 | N11 | N10 | 2.4° | 0.4° |
| C7 | N8 | N9 | N10 | 1.1° | 0.0° |
| N8 | C7 | C6 | H1 | 178.6° | 30.0° |
| N8 | C7 | C6 | H2 | 61.6° | 150.0° |
| N11 | C7 | N8 | N9 | 2.2° | 0.3° |
| C7 | N11 | N10 | N9 | 1.8° | 0.4° |
| N11 | C7 | C6 | H1 | 3.6° | 149.7° |
| N11 | C7 | C6 | H2 | 113.4° | 29.6° |
| C7 | N11 | N10 | H3 | 178.2° | 179.8° |
| N8 | N9 | N10 | N11 | 0.4° | 0.3° |
| N8 | N9 | N10 | H3 | 179.6° | 180.0° |
| N11 | N10 | N9 | H3 | 180.0° | 179.8° |
| H4 | C12 | O13 | H21 | 59.8° | 60.0° |
| H5 | C12 | O13 | H21 | 59.8° | 60.0° |
| H6 | C15 | C16 | H8 | 86.2° | 174.5° |
| H7 | C15 | C16 | H8 | 154.2° | 65.5° |
| H8 | C16 | C40 | H17 | 158.8° | 123.9° |
| H9 | C19 | C37 | H16 | 100.9° | 160.3° |
| H11 | C27 | C31 | H14 | 115.0° | 24.2° |
| H11 | C27 | C31 | H15 | 6.4° | 98.4° |
| H11 | C27 | N26 | H22 | 138.3° | 146.4° |
| H11 | C27 | C28 | H23 | 18.8° | 121.4° |
| H11 | C27 | C28 | H24 | 140.4° | 0.0° |
| H12 | C30 | C31 | H14 | 92.1° | 37.6° |
| H12 | C30 | C31 | H15 | 29.2° | 85.1° |
| H12 | C30 | C29 | H25 | 41.4° | 37.6° |
| H12 | C30 | C29 | H26 | 81.1° | 85.0° |
| H13 | C30 | C31 | H14 | 29.4° | 160.9° |
| H13 | C30 | C31 | H15 | 150.8° | 38.3° |
| H13 | C30 | C29 | H25 | 163.0° | 161.0° |
| H13 | C30 | C29 | H26 | 40.5° | 38.3° |
| H16 | C37 | C40 | H17 | 36.9° | 21.4° |
| H16 | C37 | O39 | H27 | 53.1° | 62.2° |
| H17 | C40 | O42 | H18 | 54.5° | 61.0° |
| H23 | C28 | C29 | H25 | 37.1° | 145.6° |
| H23 | C28 | C29 | H26 | 85.4° | 23.0° |
| H24 | C28 | C29 | H25 | 158.7° | 24.2° |
| H24 | C28 | C29 | H26 | 36.2° | 98.4° |
