PCY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N2 | sing | 1.35Å | 1.52Å | |
| C1 | N4 | sing | 1.35Å | 1.54Å | |
| C1 | O5 | doub | 1.22Å | 1.36Å | |
| N2 | C3 | sing | 1.47Å | 1.69Å | |
| N2 | H2 | sing | 0.97Å | 1.00Å | |
| C3 | C6 | sing | 1.53Å | 1.64Å | |
| C3 | C7 | sing | 1.54Å | 1.62Å | |
| C3 | C8 | sing | 1.54Å | 1.69Å | |
| N4 | C9 | sing | 1.46Å | 1.64Å | |
| N4 | C10 | sing | 1.47Å | 1.62Å | |
| C6 | C11 | sing | 1.53Å | 1.68Å | |
| C6 | O12 | sing | 1.43Å | 1.57Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | C13 | sing | 1.53Å | 1.69Å | |
| C7 | O14 | sing | 1.43Å | 1.59Å | |
| C7 | C15 | sing | 1.55Å | 1.65Å | |
| C8 | N16 | sing | 1.47Å | 1.62Å | |
| C8 | C17 | sing | 1.54Å | 1.64Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C9 | H93 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H103 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H113 | sing | 1.09Å | 1.10Å | |
| O12 | H12 | sing | 0.97Å | 0.95Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H133 | sing | 1.09Å | 1.10Å | |
| O14 | H14 | sing | 0.97Å | 0.95Å | |
| C15 | C17 | sing | 1.55Å | 1.65Å | |
| C15 | C18 | sing | 1.53Å | 1.70Å | |
| C15 | O19 | sing | 1.43Å | 1.53Å | |
| N16 | H161 | sing | 1.01Å | 1.00Å | |
| N16 | H162 | sing | 1.01Å | 1.00Å | |
| C17 | N20 | sing | 1.47Å | 1.59Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | O21 | sing | 1.45Å | 1.55Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| O19 | H19 | sing | 0.97Å | 0.95Å | |
| N20 | C22 | sing | 1.40Å | 1.55Å | |
| N20 | H20 | sing | 0.97Å | 1.00Å | |
| O21 | C23 | sing | 1.35Å | 1.53Å | |
| C22 | C24 | doub | 1.39Å | 1.56Å | Aromatic |
| C22 | C25 | sing | 1.39Å | 1.54Å | Aromatic |
| C23 | O26 | doub | 1.22Å | 1.37Å | |
| C23 | C27 | sing | 1.47Å | 1.59Å | |
| C24 | C28 | sing | 1.40Å | 1.50Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | C29 | doub | 1.38Å | 1.54Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C27 | C30 | doub | 1.40Å | 1.53Å | Aromatic |
| C27 | C31 | sing | 1.40Å | 1.54Å | Aromatic |
| C28 | C32 | sing | 1.47Å | 1.61Å | |
| C28 | C33 | doub | 1.40Å | 1.53Å | Aromatic |
| C29 | C33 | sing | 1.38Å | 1.55Å | Aromatic |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C30 | C34 | sing | 1.51Å | 1.68Å | |
| C30 | C35 | sing | 1.38Å | 1.53Å | Aromatic |
| C31 | O36 | sing | 1.36Å | 1.55Å | |
| C31 | C37 | doub | 1.39Å | 1.54Å | Aromatic |
| C32 | C38 | sing | 1.51Å | 1.56Å | |
| C32 | O39 | doub | 1.21Å | 1.51Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C34 | H343 | sing | 1.09Å | 1.10Å | |
| C35 | C40 | doub | 1.38Å | 1.56Å | Aromatic |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| O36 | H36 | sing | 0.97Å | 0.95Å | |
| C37 | C40 | sing | 1.38Å | 1.55Å | Aromatic |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C38 | H383 | sing | 1.09Å | 1.10Å | |
| C40 | H40 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C1 | N4 | 121.7° | 120.0° |
| N2 | C1 | O5 | 119.5° | 120.0° |
| C1 | N2 | C3 | 132.9° | 120.0° |
| C1 | N2 | H2 | 113.5° | 119.9° |
| N4 | C1 | O5 | 118.5° | 120.0° |
| C1 | N4 | C9 | 122.4° | 120.0° |
| C1 | N4 | C10 | 125.0° | 120.0° |
| C3 | N2 | H2 | 113.5° | 120.1° |
| N2 | C3 | C6 | 108.5° | 110.0° |
| N2 | C3 | C7 | 121.4° | 110.0° |
| N2 | C3 | C8 | 106.4° | 110.0° |
| C6 | C3 | C7 | 106.2° | 110.0° |
| C6 | C3 | C8 | 108.3° | 110.0° |
| C3 | C6 | C11 | 108.0° | 109.5° |
| C3 | C6 | O12 | 107.1° | 109.5° |
| C3 | C6 | H6 | 110.4° | 109.4° |
| C7 | C3 | C8 | 105.5° | 106.7° |
| C3 | C7 | C13 | 110.6° | 110.5° |
| C3 | C7 | O14 | 109.1° | 110.5° |
| C3 | C7 | C15 | 104.0° | 104.2° |
| C3 | C8 | N16 | 119.6° | 110.0° |
| C3 | C8 | C17 | 104.7° | 106.6° |
| C3 | C8 | H8 | 106.5° | 110.0° |
| C9 | N4 | C10 | 112.6° | 120.0° |
| N4 | C9 | H91 | 109.5° | 109.5° |
| N4 | C9 | H92 | 109.5° | 109.5° |
| N4 | C9 | H93 | 109.5° | 109.5° |
| N4 | C10 | H101 | 109.5° | 109.5° |
| N4 | C10 | H102 | 109.5° | 109.5° |
| N4 | C10 | H103 | 109.5° | 109.4° |
| C11 | C6 | O12 | 110.1° | 109.5° |
| C11 | C6 | H6 | 109.8° | 109.5° |
| C6 | C11 | H111 | 109.5° | 109.4° |
| C6 | C11 | H112 | 109.5° | 109.5° |
| C6 | C11 | H113 | 109.5° | 109.5° |
| O12 | C6 | H6 | 111.4° | 109.5° |
| C6 | O12 | H12 | 109.5° | 114.0° |
| C13 | C7 | O14 | 111.2° | 110.5° |
| C13 | C7 | C15 | 112.0° | 110.5° |
| C7 | C13 | H131 | 109.5° | 109.5° |
| C7 | C13 | H132 | 109.4° | 109.5° |
| C7 | C13 | H133 | 109.5° | 109.5° |
| O14 | C7 | C15 | 109.7° | 110.6° |
| C7 | O14 | H14 | 109.5° | 114.0° |
| C7 | C15 | C17 | 105.1° | 102.8° |
| C7 | C15 | C18 | 106.7° | 110.8° |
| C7 | C15 | O19 | 112.2° | 110.8° |
| N16 | C8 | C17 | 111.3° | 110.0° |
| N16 | C8 | H8 | 107.2° | 110.0° |
| C8 | N16 | H161 | 109.5° | 111.0° |
| C8 | N16 | H162 | 109.5° | 111.0° |
| C17 | C8 | H8 | 107.0° | 110.1° |
| C8 | C17 | C15 | 107.7° | 104.2° |
| C8 | C17 | N20 | 107.4° | 110.5° |
| C8 | C17 | H17 | 108.9° | 110.5° |
| H91 | C9 | H92 | 109.4° | 109.5° |
| H91 | C9 | H93 | 109.5° | 109.4° |
| H92 | C9 | H93 | 109.5° | 109.5° |
| H101 | C10 | H102 | 109.5° | 109.5° |
| H101 | C10 | H103 | 109.4° | 109.5° |
| H102 | C10 | H103 | 109.5° | 109.5° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H111 | C11 | H113 | 109.5° | 109.5° |
| H112 | C11 | H113 | 109.5° | 109.5° |
| H131 | C13 | H132 | 109.4° | 109.4° |
| H131 | C13 | H133 | 109.5° | 109.5° |
| H132 | C13 | H133 | 109.5° | 109.5° |
| C17 | C15 | C18 | 116.2° | 110.8° |
| C17 | C15 | O19 | 106.2° | 110.7° |
| C15 | C17 | N20 | 114.5° | 110.4° |
| C15 | C17 | H17 | 108.8° | 110.6° |
| C18 | C15 | O19 | 110.4° | 110.8° |
| C15 | C18 | O21 | 110.9° | 109.5° |
| C15 | C18 | H181 | 109.1° | 109.5° |
| C15 | C18 | H182 | 109.1° | 109.5° |
| C15 | O19 | H19 | 109.5° | 114.0° |
| H161 | N16 | H162 | 109.5° | 111.0° |
| N20 | C17 | H17 | 109.5° | 110.5° |
| C17 | N20 | C22 | 112.2° | 119.9° |
| C17 | N20 | H20 | 108.8° | 120.1° |
| O21 | C18 | H181 | 109.1° | 109.5° |
| O21 | C18 | H182 | 109.1° | 109.5° |
| C18 | O21 | C23 | 123.0° | 117.1° |
| H181 | C18 | H182 | 109.5° | 109.5° |
| C22 | N20 | H20 | 108.8° | 120.0° |
| N20 | C22 | C24 | 118.0° | 119.9° |
| N20 | C22 | C25 | 121.1° | 120.0° |
| O21 | C23 | O26 | 123.6° | 120.0° |
| O21 | C23 | C27 | 115.3° | 120.0° |
| C24 | C22 | C25 | 120.9° | 120.0° |
| C22 | C24 | C28 | 120.3° | 119.7° |
| C22 | C24 | H24 | 119.9° | 120.1° |
| C22 | C25 | C29 | 118.3° | 120.3° |
| C22 | C25 | H25 | 120.9° | 119.9° |
| O26 | C23 | C27 | 121.2° | 120.0° |
| C23 | C27 | C30 | 122.9° | 120.2° |
| C23 | C27 | C31 | 115.1° | 120.2° |
| C28 | C24 | H24 | 119.9° | 120.1° |
| C24 | C28 | C32 | 118.3° | 120.1° |
| C24 | C28 | C33 | 119.8° | 119.7° |
| C29 | C25 | H25 | 120.9° | 119.8° |
| C25 | C29 | C33 | 120.2° | 120.2° |
| C25 | C29 | H29 | 119.9° | 119.9° |
| C30 | C27 | C31 | 122.0° | 119.6° |
| C27 | C30 | C34 | 121.4° | 120.1° |
| C27 | C30 | C35 | 118.8° | 119.9° |
| C27 | C31 | O36 | 118.4° | 120.1° |
| C27 | C31 | C37 | 120.2° | 119.7° |
| C32 | C28 | C33 | 121.8° | 120.1° |
| C28 | C32 | C38 | 115.0° | 120.0° |
| C28 | C32 | O39 | 124.8° | 120.0° |
| C28 | C33 | C29 | 120.6° | 120.0° |
| C28 | C33 | H33 | 119.7° | 120.0° |
| C33 | C29 | H29 | 119.9° | 119.8° |
| C29 | C33 | H33 | 119.7° | 120.0° |
| C34 | C30 | C35 | 119.8° | 120.1° |
| C30 | C34 | H341 | 109.5° | 109.5° |
| C30 | C34 | H342 | 109.5° | 109.4° |
| C30 | C34 | H343 | 109.4° | 109.4° |
| C30 | C35 | C40 | 119.9° | 120.3° |
| C30 | C35 | H35 | 120.0° | 119.8° |
| O36 | C31 | C37 | 121.5° | 120.2° |
| C31 | O36 | H36 | 109.5° | 114.0° |
| C31 | C37 | C40 | 118.5° | 120.1° |
| C31 | C37 | H37 | 120.7° | 120.0° |
| C38 | C32 | O39 | 120.1° | 120.0° |
| C32 | C38 | H381 | 109.5° | 109.5° |
| C32 | C38 | H382 | 109.5° | 109.5° |
| C32 | C38 | H383 | 109.5° | 109.5° |
| H341 | C34 | H342 | 109.4° | 109.5° |
| H341 | C34 | H343 | 109.5° | 109.5° |
| H342 | C34 | H343 | 109.5° | 109.5° |
| C40 | C35 | H35 | 120.1° | 119.9° |
| C35 | C40 | C37 | 120.6° | 120.4° |
| C35 | C40 | H40 | 119.7° | 119.8° |
| C40 | C37 | H37 | 120.7° | 120.0° |
| C37 | C40 | H40 | 119.7° | 119.8° |
| H381 | C38 | H382 | 109.4° | 109.5° |
| H381 | C38 | H383 | 109.4° | 109.5° |
| H382 | C38 | H383 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C1 | N4 | O5 | 173.6° | 179.8° |
| C1 | N2 | C3 | H2 | 180.0° | 180.0° |
| C1 | N2 | C3 | C6 | 154.1° | 57.1° |
| C1 | N2 | C3 | C7 | 82.6° | 178.5° |
| C1 | N2 | C3 | C8 | 37.8° | 64.2° |
| N2 | C1 | N4 | C9 | 134.2° | 180.0° |
| N2 | C1 | N4 | C10 | 44.2° | 0.1° |
| N4 | C1 | N2 | C3 | 106.0° | 174.2° |
| N4 | C1 | N2 | H2 | 74.0° | 5.9° |
| C1 | N4 | C9 | C10 | 178.5° | 179.9° |
| C1 | N4 | C9 | H91 | 180.0° | 90.0° |
| C1 | N4 | C9 | H92 | 60.0° | 150.0° |
| C1 | N4 | C9 | H93 | 60.0° | 29.9° |
| C1 | N4 | C10 | H101 | 180.0° | 60.0° |
| C1 | N4 | C10 | H102 | 60.0° | 180.0° |
| C1 | N4 | C10 | H103 | 60.0° | 60.0° |
| O5 | C1 | N2 | C3 | 80.5° | 6.0° |
| O5 | C1 | N2 | H2 | 99.5° | 173.9° |
| O5 | C1 | N4 | C9 | 39.4° | 0.2° |
| O5 | C1 | N4 | C10 | 142.3° | 179.7° |
| N2 | C3 | C6 | C7 | 132.0° | 121.4° |
| N2 | C3 | C6 | C8 | 115.1° | 121.4° |
| N2 | C3 | C7 | C8 | 120.8° | 119.3° |
| N2 | C3 | C6 | C11 | 74.2° | 78.6° |
| N2 | C3 | C6 | O12 | 44.4° | 41.3° |
| N2 | C3 | C6 | H6 | 165.8° | 161.4° |
| N2 | C3 | C7 | C13 | 35.0° | 23.0° |
| N2 | C3 | C7 | O14 | 157.5° | 145.5° |
| N2 | C3 | C7 | C15 | 85.4° | 95.7° |
| N2 | C3 | C8 | N16 | 18.0° | 0.0° |
| N2 | C3 | C8 | C17 | 107.4° | 119.3° |
| N2 | C3 | C8 | H8 | 139.5° | 121.4° |
| H2 | N2 | C3 | C6 | 25.9° | 122.9° |
| H2 | N2 | C3 | C7 | 97.4° | 1.5° |
| H2 | N2 | C3 | C8 | 142.2° | 115.7° |
| C6 | C3 | C7 | C8 | 114.8° | 119.3° |
| C3 | C6 | C11 | O12 | 116.6° | 120.0° |
| C3 | C6 | C11 | H6 | 120.4° | 120.0° |
| C3 | C6 | O12 | H6 | 120.8° | 120.0° |
| C6 | C3 | C7 | C13 | 89.4° | 98.4° |
| C6 | C3 | C7 | O14 | 33.1° | 24.2° |
| C6 | C3 | C7 | C15 | 150.2° | 143.0° |
| C6 | C3 | C8 | N16 | 98.5° | 121.4° |
| C6 | C3 | C8 | C17 | 136.1° | 119.4° |
| C6 | C3 | C8 | H8 | 23.0° | 0.1° |
| C3 | C6 | C11 | H111 | 180.0° | 35.7° |
| C3 | C6 | C11 | H112 | 60.0° | 155.6° |
| C3 | C6 | C11 | H113 | 60.0° | 84.3° |
| C3 | C6 | O12 | H12 | 180.0° | 60.0° |
| C7 | C3 | C6 | C11 | 153.8° | 160.0° |
| C7 | C3 | C6 | O12 | 87.6° | 80.0° |
| C7 | C3 | C6 | H6 | 33.8° | 40.0° |
| C3 | C7 | C13 | O14 | 121.3° | 122.6° |
| C3 | C7 | C13 | C15 | 115.5° | 114.8° |
| C3 | C7 | O14 | C15 | 113.4° | 114.8° |
| C7 | C3 | C8 | N16 | 148.2° | 119.3° |
| C7 | C3 | C8 | C17 | 22.7° | 0.0° |
| C7 | C3 | C8 | H8 | 90.4° | 119.3° |
| C3 | C7 | C13 | H131 | 180.0° | 52.5° |
| C3 | C7 | C13 | H132 | 60.0° | 172.4° |
| C3 | C7 | C13 | H133 | 60.0° | 67.5° |
| C3 | C7 | O14 | H14 | 180.0° | 179.9° |
| C3 | C7 | C15 | C17 | 34.5° | 37.9° |
| C3 | C7 | C15 | C18 | 158.4° | 156.3° |
| C3 | C7 | C15 | O19 | 80.5° | 80.3° |
| C8 | C3 | C6 | C11 | 40.9° | 42.7° |
| C8 | C3 | C6 | O12 | 159.5° | 162.7° |
| C8 | C3 | C6 | H6 | 79.1° | 77.3° |
| C8 | C3 | C7 | C13 | 155.8° | 142.3° |
| C8 | C3 | C7 | O14 | 81.7° | 95.2° |
| C8 | C3 | C7 | C15 | 35.4° | 23.6° |
| C3 | C8 | N16 | C17 | 122.2° | 117.1° |
| C3 | C8 | N16 | H8 | 121.1° | 121.4° |
| C3 | C8 | C17 | H8 | 112.8° | 119.3° |
| C3 | C8 | C17 | C15 | 1.2° | 23.5° |
| C3 | C8 | N16 | H161 | 180.0° | 157.0° |
| C3 | C8 | N16 | H162 | 60.0° | 79.0° |
| C3 | C8 | C17 | N20 | 125.0° | 95.0° |
| C3 | C8 | C17 | H17 | 116.5° | 142.3° |
| N4 | C9 | H91 | H92 | 120.0° | 120.0° |
| N4 | C9 | H91 | H93 | 120.0° | 120.0° |
| N4 | C9 | H92 | H93 | 120.0° | 120.1° |
| C9 | N4 | C10 | H101 | 1.5° | 119.9° |
| C9 | N4 | C10 | H102 | 118.5° | 0.1° |
| C9 | N4 | C10 | H103 | 121.5° | 120.1° |
| C10 | N4 | C9 | H91 | 1.5° | 90.1° |
| C10 | N4 | C9 | H92 | 121.5° | 29.9° |
| C10 | N4 | C9 | H93 | 118.5° | 150.0° |
| N4 | C10 | H101 | H102 | 120.0° | 120.0° |
| N4 | C10 | H101 | H103 | 120.0° | 119.9° |
| N4 | C10 | H102 | H103 | 120.0° | 120.0° |
| C11 | C6 | O12 | H6 | 122.1° | 120.1° |
| C6 | C11 | H111 | H112 | 120.0° | 120.0° |
| C6 | C11 | H111 | H113 | 120.0° | 120.0° |
| C6 | C11 | H112 | H113 | 120.0° | 120.0° |
| C11 | C6 | O12 | H12 | 62.8° | 60.0° |
| O12 | C6 | C11 | H111 | 63.4° | 155.6° |
| O12 | C6 | C11 | H112 | 56.6° | 84.4° |
| O12 | C6 | C11 | H113 | 176.6° | 35.7° |
| H6 | C6 | C11 | H111 | 59.6° | 84.3° |
| H6 | C6 | C11 | H112 | 179.6° | 35.7° |
| H6 | C6 | C11 | H113 | 60.4° | 155.7° |
| H6 | C6 | O12 | H12 | 59.2° | 180.0° |
| C13 | C7 | O14 | C15 | 124.5° | 122.6° |
| C7 | C13 | H131 | H132 | 120.0° | 120.0° |
| C7 | C13 | H131 | H133 | 120.0° | 120.0° |
| C7 | C13 | H132 | H133 | 120.0° | 120.1° |
| C13 | C7 | O14 | H14 | 57.8° | 57.5° |
| C13 | C7 | C15 | C17 | 153.9° | 156.6° |
| C13 | C7 | C15 | C18 | 82.1° | 85.1° |
| C13 | C7 | C15 | O19 | 39.0° | 38.3° |
| O14 | C7 | C13 | H131 | 58.7° | 70.1° |
| O14 | C7 | C13 | H132 | 178.7° | 49.9° |
| O14 | C7 | C13 | H133 | 61.3° | 169.9° |
| O14 | C7 | C15 | C17 | 82.1° | 80.8° |
| O14 | C7 | C15 | C18 | 41.9° | 37.5° |
| O14 | C7 | C15 | O19 | 162.9° | 160.9° |
| C7 | C15 | C17 | C8 | 20.3° | 37.9° |
| C15 | C7 | C13 | H131 | 64.4° | 167.2° |
| C15 | C7 | C13 | H132 | 55.5° | 72.8° |
| C15 | C7 | C13 | H133 | 175.6° | 47.3° |
| C15 | C7 | O14 | H14 | 66.7° | 65.1° |
| C7 | C15 | C17 | C18 | 117.7° | 118.4° |
| C7 | C15 | C17 | O19 | 119.0° | 118.3° |
| C7 | C15 | C18 | O19 | 122.2° | 123.4° |
| C7 | C15 | C17 | N20 | 99.1° | 80.7° |
| C7 | C15 | C17 | H17 | 138.1° | 156.6° |
| C7 | C15 | C18 | O21 | 136.2° | 180.0° |
| C7 | C15 | C18 | H181 | 103.6° | 60.0° |
| C7 | C15 | C18 | H182 | 16.0° | 60.0° |
| C7 | C15 | O19 | H19 | 180.0° | 180.0° |
| N16 | C8 | C17 | H8 | 116.8° | 121.4° |
| N16 | C8 | C17 | C15 | 131.7° | 95.8° |
| C8 | N16 | H161 | H162 | 120.0° | 124.0° |
| N16 | C8 | C17 | N20 | 104.5° | 145.7° |
| N16 | C8 | C17 | H17 | 13.9° | 23.0° |
| C8 | C17 | C15 | N20 | 119.4° | 118.6° |
| C8 | C17 | C15 | H17 | 117.8° | 118.7° |
| C8 | C17 | C15 | C18 | 138.0° | 156.2° |
| C8 | C17 | C15 | O19 | 98.7° | 80.4° |
| C17 | C8 | N16 | H161 | 57.8° | 39.9° |
| C17 | C8 | N16 | H162 | 177.8° | 163.8° |
| C8 | C17 | N20 | H17 | 118.1° | 122.6° |
| C8 | C17 | N20 | C22 | 126.7° | 86.5° |
| C8 | C17 | N20 | H20 | 112.9° | 93.5° |
| H8 | C8 | C17 | C15 | 111.5° | 142.8° |
| H8 | C8 | N16 | H161 | 58.9° | 81.6° |
| H8 | C8 | N16 | H162 | 61.2° | 42.4° |
| H8 | C8 | C17 | N20 | 12.2° | 24.3° |
| H8 | C8 | C17 | H17 | 130.7° | 98.4° |
| H91 | C9 | H92 | H93 | 120.0° | 120.0° |
| H101 | C10 | H102 | H103 | 120.0° | 120.0° |
| H111 | C11 | H112 | H113 | 120.0° | 120.0° |
| H131 | C13 | H132 | H133 | 120.0° | 120.0° |
| C17 | C15 | C18 | O19 | 121.0° | 123.3° |
| C15 | C17 | N20 | H17 | 122.4° | 122.7° |
| C17 | C15 | C18 | O21 | 19.4° | 66.6° |
| C17 | C15 | C18 | H181 | 139.6° | 173.4° |
| C17 | C15 | C18 | H182 | 100.8° | 53.4° |
| C17 | C15 | O19 | H19 | 65.7° | 66.7° |
| C15 | C17 | N20 | C22 | 113.7° | 158.8° |
| C15 | C17 | N20 | H20 | 6.7° | 21.2° |
| C18 | C15 | C17 | N20 | 18.6° | 37.6° |
| C18 | C15 | C17 | H17 | 104.2° | 85.0° |
| C15 | C18 | O21 | H181 | 120.2° | 120.0° |
| C15 | C18 | O21 | H182 | 120.2° | 120.0° |
| C15 | C18 | H181 | H182 | 119.4° | 120.0° |
| C18 | C15 | O19 | H19 | 61.1° | 56.6° |
| C15 | C18 | O21 | C23 | 128.9° | 180.0° |
| O19 | C15 | C17 | N20 | 141.9° | 161.0° |
| O19 | C15 | C17 | H17 | 19.1° | 38.3° |
| O19 | C15 | C18 | O21 | 101.6° | 56.6° |
| O19 | C15 | C18 | H181 | 18.6° | 63.4° |
| O19 | C15 | C18 | H182 | 138.2° | 176.6° |
| C17 | N20 | C22 | H20 | 120.4° | 180.0° |
| C17 | N20 | C22 | C24 | 24.2° | 180.0° |
| C17 | N20 | C22 | C25 | 155.9° | 0.3° |
| H17 | C17 | N20 | C22 | 8.7° | 36.2° |
| H17 | C17 | N20 | H20 | 129.1° | 143.8° |
| O21 | C18 | H181 | H182 | 119.3° | 120.0° |
| C18 | O21 | C23 | O26 | 7.2° | 0.1° |
| C18 | O21 | C23 | C27 | 172.8° | 180.0° |
| H181 | C18 | O21 | C23 | 8.7° | 60.0° |
| H182 | C18 | O21 | C23 | 110.9° | 60.0° |
| N20 | C22 | C24 | C25 | 179.9° | 179.7° |
| N20 | C22 | C24 | C28 | 179.5° | 180.0° |
| N20 | C22 | C24 | H24 | 0.6° | 0.0° |
| N20 | C22 | C25 | C29 | 179.8° | 180.0° |
| N20 | C22 | C25 | H25 | 0.2° | 0.0° |
| H20 | N20 | C22 | C24 | 96.2° | 0.0° |
| H20 | N20 | C22 | C25 | 83.7° | 179.7° |
| O21 | C23 | O26 | C27 | 180.0° | 179.9° |
| O21 | C23 | C27 | C30 | 139.5° | 90.1° |
| O21 | C23 | C27 | C31 | 40.1° | 89.7° |
| C22 | C24 | C28 | H24 | 180.0° | 180.0° |
| C24 | C22 | C25 | C29 | 0.1° | 0.3° |
| C24 | C22 | C25 | H25 | 179.9° | 179.8° |
| C22 | C24 | C28 | C32 | 179.9° | 179.9° |
| C22 | C24 | C28 | C33 | 0.5° | 0.0° |
| C25 | C22 | C24 | C28 | 0.5° | 0.3° |
| C25 | C22 | C24 | H24 | 179.5° | 179.7° |
| C22 | C25 | C29 | H25 | 180.0° | 180.0° |
| C22 | C25 | C29 | C33 | 0.2° | 0.1° |
| C22 | C25 | C29 | H29 | 179.8° | 180.0° |
| O26 | C23 | C27 | C30 | 40.5° | 90.0° |
| O26 | C23 | C27 | C31 | 139.9° | 90.2° |
| C23 | C27 | C30 | C31 | 179.6° | 179.7° |
| C23 | C27 | C30 | C34 | 0.2° | 0.0° |
| C23 | C27 | C30 | C35 | 179.6° | 180.0° |
| C23 | C27 | C31 | O36 | 0.3° | 0.0° |
| C23 | C27 | C31 | C37 | 179.4° | 180.0° |
| C24 | C28 | C32 | C33 | 179.4° | 180.0° |
| C24 | C28 | C33 | C29 | 0.2° | 0.3° |
| C24 | C28 | C32 | C38 | 178.4° | 180.0° |
| C24 | C28 | C32 | O39 | 1.0° | 0.1° |
| C24 | C28 | C33 | H33 | 179.8° | 180.0° |
| H24 | C24 | C28 | C32 | 0.1° | 0.1° |
| H24 | C24 | C28 | C33 | 179.5° | 180.0° |
| C25 | C29 | C33 | C28 | 0.2° | 0.4° |
| C25 | C29 | C33 | H29 | 180.0° | 179.9° |
| C25 | C29 | C33 | H33 | 179.8° | 180.0° |
| H25 | C25 | C29 | C33 | 179.8° | 179.9° |
| H25 | C25 | C29 | H29 | 0.2° | 0.0° |
| C27 | C30 | C34 | C35 | 179.7° | 180.0° |
| C30 | C27 | C31 | O36 | 179.9° | 179.7° |
| C30 | C27 | C31 | C37 | 0.2° | 0.3° |
| C27 | C30 | C34 | H341 | 90.1° | 90.0° |
| C27 | C30 | C34 | H342 | 149.9° | 150.0° |
| C27 | C30 | C34 | H343 | 29.9° | 30.0° |
| C27 | C30 | C35 | C40 | 0.2° | 0.0° |
| C27 | C30 | C35 | H35 | 179.8° | 180.0° |
| C31 | C27 | C30 | C34 | 179.8° | 179.7° |
| C31 | C27 | C30 | C35 | 0.0° | 0.3° |
| C27 | C31 | O36 | C37 | 179.7° | 180.0° |
| C27 | C31 | O36 | H36 | 180.0° | 90.0° |
| C27 | C31 | C37 | C40 | 0.3° | 0.0° |
| C27 | C31 | C37 | H37 | 179.7° | 180.0° |
| C32 | C28 | C33 | C29 | 179.6° | 179.6° |
| C28 | C32 | C38 | O39 | 179.4° | 179.9° |
| C32 | C28 | C33 | H33 | 0.4° | 0.0° |
| C28 | C32 | C38 | H381 | 179.4° | 0.0° |
| C28 | C32 | C38 | H382 | 59.4° | 120.0° |
| C28 | C32 | C38 | H383 | 60.6° | 120.0° |
| C28 | C33 | C29 | H33 | 180.0° | 179.6° |
| C28 | C33 | C29 | H29 | 179.8° | 179.7° |
| C33 | C28 | C32 | C38 | 2.3° | 0.0° |
| C33 | C28 | C32 | O39 | 178.3° | 180.0° |
| H29 | C29 | C33 | H33 | 0.2° | 0.1° |
| C30 | C34 | H341 | H342 | 120.0° | 120.0° |
| C30 | C34 | H341 | H343 | 120.0° | 119.9° |
| C30 | C34 | H342 | H343 | 120.0° | 119.9° |
| C34 | C30 | C35 | C40 | 179.6° | 180.0° |
| C34 | C30 | C35 | H35 | 0.4° | 0.0° |
| C35 | C30 | C34 | H341 | 90.1° | 90.0° |
| C35 | C30 | C34 | H342 | 29.9° | 30.0° |
| C35 | C30 | C34 | H343 | 149.9° | 150.0° |
| C30 | C35 | C40 | H35 | 180.0° | 180.0° |
| C30 | C35 | C40 | C37 | 0.2° | 0.3° |
| C30 | C35 | C40 | H40 | 179.8° | 180.0° |
| O36 | C31 | C37 | C40 | 179.9° | 180.0° |
| O36 | C31 | C37 | H37 | 0.1° | 0.1° |
| C31 | C37 | C40 | C35 | 0.1° | 0.3° |
| C37 | C31 | O36 | H36 | 0.4° | 90.0° |
| C31 | C37 | C40 | H37 | 180.0° | 180.0° |
| C31 | C37 | C40 | H40 | 180.0° | 180.0° |
| C32 | C38 | H381 | H382 | 120.0° | 120.0° |
| C32 | C38 | H381 | H383 | 120.0° | 120.0° |
| C32 | C38 | H382 | H383 | 120.0° | 120.0° |
| O39 | C32 | C38 | H381 | 0.0° | 180.0° |
| O39 | C32 | C38 | H382 | 120.0° | 60.0° |
| O39 | C32 | C38 | H383 | 120.0° | 60.0° |
| H341 | C34 | H342 | H343 | 120.0° | 120.1° |
| C35 | C40 | C37 | H40 | 180.0° | 179.7° |
| C35 | C40 | C37 | H37 | 179.9° | 179.7° |
| H35 | C35 | C40 | C37 | 179.9° | 179.7° |
| H35 | C35 | C40 | H40 | 0.2° | 0.0° |
| H37 | C37 | C40 | H40 | 0.0° | 0.0° |
| H381 | C38 | H382 | H383 | 119.9° | 120.0° |
