PC3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CO3 | N2B | sing | 2.03Å | 2.09Å | |
| CO3 | N4B | sing | 2.03Å | 2.06Å | |
| CO3 | N6B | sing | 2.03Å | 2.06Å | |
| CO3 | N8B | sing | 2.03Å | 2.06Å | |
| C | C1 | doub | 1.36Å | 1.45Å | |
| C | C2C | sing | 1.38Å | 1.45Å | |
| C | C14 | sing | 1.51Å | 1.55Å | |
| C1 | C2A | sing | 1.37Å | 1.43Å | |
| C1 | C9 | sing | 1.51Å | 1.53Å | |
| C2A | N2B | doub | 1.37Å | 1.37Å | |
| C2A | CA | sing | 1.39Å | 1.45Å | |
| N2B | C2C | sing | 1.37Å | 1.39Å | |
| C2C | CD | doub | 1.39Å | 1.45Å | |
| CA | C4C | doub | 1.39Å | 1.45Å | |
| CA | HA | sing | 0.95Å | 1.08Å | |
| C4C | C2 | sing | 1.38Å | 1.43Å | |
| C4C | N4B | sing | 1.37Å | 1.38Å | |
| C2 | C3 | doub | 1.36Å | 1.45Å | |
| C2 | C12 | sing | 1.51Å | 1.55Å | |
| C3 | C4A | sing | 1.38Å | 1.43Å | |
| C3 | C8 | sing | 1.51Å | 1.53Å | |
| C4A | N4B | sing | 1.37Å | 1.38Å | |
| C4A | CB | doub | 1.39Å | 1.46Å | |
| CB | C6C | sing | 1.39Å | 1.44Å | |
| CB | HB | sing | 0.94Å | 1.08Å | |
| C6C | C4 | sing | 1.38Å | 1.42Å | |
| C6C | N6B | doub | 1.36Å | 1.38Å | |
| C4 | C5 | doub | 1.36Å | 1.44Å | |
| C4 | C18 | sing | 1.51Å | 1.52Å | |
| C5 | C6A | sing | 1.37Å | 1.40Å | |
| C5 | C11 | sing | 1.51Å | 1.51Å | |
| C6A | N6B | sing | 1.37Å | 1.37Å | |
| C6A | CC | doub | 1.39Å | 1.43Å | |
| CC | C8C | sing | 1.39Å | 1.45Å | |
| CC | HC | sing | 0.95Å | 1.08Å | |
| C8C | C6 | doub | 1.38Å | 1.42Å | Aromatic |
| C8C | N8B | sing | 1.37Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.36Å | 1.45Å | Aromatic |
| C6 | C16 | sing | 1.51Å | 1.55Å | |
| C7 | C8A | doub | 1.38Å | 1.43Å | Aromatic |
| C7 | C10 | sing | 1.51Å | 1.53Å | |
| C8A | N8B | sing | 1.37Å | 1.38Å | Aromatic |
| C8A | CD | sing | 1.39Å | 1.45Å | |
| CD | HD | sing | 0.94Å | 1.08Å | |
| C8 | H81 | sing | 0.97Å | 1.10Å | |
| C8 | H82 | sing | 0.97Å | 1.10Å | |
| C8 | H83 | sing | 0.97Å | 1.10Å | |
| C9 | H91 | sing | 0.97Å | 1.10Å | |
| C9 | H92 | sing | 0.97Å | 1.10Å | |
| C9 | H93 | sing | 0.97Å | 1.10Å | |
| C10 | H101 | sing | 0.97Å | 1.10Å | |
| C10 | H102 | sing | 0.97Å | 1.10Å | |
| C10 | H103 | sing | 0.97Å | 1.10Å | |
| C11 | H111 | sing | 0.97Å | 1.10Å | |
| C11 | H112 | sing | 0.97Å | 1.10Å | |
| C11 | H113 | sing | 0.97Å | 1.10Å | |
| C12 | CX5 | sing | 1.53Å | 1.56Å | |
| C12 | H121 | sing | 0.98Å | 1.10Å | |
| C12 | H122 | sing | 0.98Å | 1.10Å | |
| CX5 | C22 | sing | 1.50Å | 1.53Å | |
| CX5 | H221 | sing | 0.99Å | 1.10Å | |
| CX5 | H222 | sing | 0.98Å | 1.10Å | |
| C14 | C15 | sing | 1.53Å | 1.55Å | |
| C14 | H141 | sing | 0.98Å | 1.10Å | |
| C14 | H142 | sing | 0.98Å | 1.10Å | |
| C15 | C21 | sing | 1.50Å | 1.52Å | |
| C15 | H151 | sing | 0.99Å | 1.10Å | |
| C15 | H152 | sing | 0.98Å | 1.10Å | |
| C16 | C17 | sing | 1.53Å | 1.56Å | |
| C16 | H161 | sing | 0.98Å | 1.10Å | |
| C16 | H162 | sing | 0.98Å | 1.10Å | |
| C17 | C24 | sing | 1.50Å | 1.53Å | |
| C17 | H171 | sing | 0.98Å | 1.10Å | |
| C17 | H172 | sing | 0.99Å | 1.10Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C18 | H181 | sing | 0.98Å | 1.10Å | |
| C18 | H182 | sing | 0.98Å | 1.10Å | |
| C19 | C23 | sing | 1.50Å | 1.52Å | |
| C19 | H192 | sing | 0.98Å | 1.10Å | |
| C19 | H191 | sing | 0.99Å | 1.10Å | |
| C21 | O1 | doub | 1.22Å | 1.24Å | |
| C21 | O2 | sing | 1.31Å | 1.26Å | |
| O2 | HO2 | sing | 0.88Å | 0.95Å | |
| C22 | O3 | doub | 1.22Å | 1.24Å | |
| C22 | O22 | sing | 1.31Å | 1.25Å | |
| O22 | HO22 | sing | 0.88Å | 0.95Å | |
| C23 | O23 | sing | 1.31Å | 1.24Å | |
| C23 | O4 | doub | 1.22Å | 1.27Å | |
| O23 | HO32 | sing | 0.88Å | 0.95Å | |
| C24 | O5 | doub | 1.22Å | 1.26Å | |
| C24 | O6 | sing | 1.31Å | 1.24Å | |
| O6 | HO6 | sing | 0.88Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2B | CO3 | N4B | 91.1° | 90.1° |
| N2B | CO3 | N6B | 174.6° | 179.8° |
| N2B | CO3 | N8B | 88.9° | 89.9° |
| CO3 | N2B | C2A | 127.6° | 127.5° |
| CO3 | N2B | C2C | 129.6° | 127.0° |
| N4B | CO3 | N6B | 89.2° | 89.8° |
| N4B | CO3 | N8B | 179.2° | 179.8° |
| CO3 | N4B | C4C | 127.6° | 126.7° |
| CO3 | N4B | C4A | 129.2° | 127.8° |
| N6B | CO3 | N8B | 90.8° | 90.1° |
| CO3 | N6B | C6C | 129.6° | 127.2° |
| CO3 | N6B | C6A | 127.7° | 127.4° |
| CO3 | N8B | C8C | 127.6° | 126.8° |
| CO3 | N8B | C8A | 129.6° | 127.7° |
| C1 | C | C2C | 103.1° | 106.9° |
| C1 | C | C14 | 123.6° | 126.2° |
| C | C1 | C2A | 105.3° | 107.6° |
| C | C1 | C9 | 126.0° | 124.4° |
| C2C | C | C14 | 132.4° | 126.9° |
| C | C2C | N2B | 114.4° | 110.0° |
| C | C2C | CD | 125.1° | 126.4° |
| C | C14 | C15 | 121.7° | 114.1° |
| C | C14 | H141 | 106.4° | 110.0° |
| C | C14 | H142 | 106.3° | 109.4° |
| C2A | C1 | C9 | 128.5° | 128.0° |
| C1 | C2A | N2B | 114.3° | 110.0° |
| C1 | C2A | CA | 124.4° | 127.4° |
| C1 | C9 | H91 | 109.5° | 110.6° |
| C1 | C9 | H92 | 109.5° | 109.7° |
| C1 | C9 | H93 | 109.5° | 109.6° |
| N2B | C2A | CA | 121.3° | 122.7° |
| C2A | N2B | C2C | 102.8° | 105.5° |
| C2A | CA | C4C | 130.6° | 129.0° |
| C2A | CA | HA | 114.7° | 115.7° |
| N2B | C2C | CD | 120.5° | 123.5° |
| C2C | CD | C8A | 129.6° | 129.1° |
| C2C | CD | HD | 115.2° | 115.3° |
| C4C | CA | HA | 114.7° | 115.2° |
| CA | C4C | C2 | 124.2° | 126.3° |
| CA | C4C | N4B | 121.9° | 123.6° |
| C2 | C4C | N4B | 113.9° | 110.1° |
| C4C | C2 | C3 | 104.4° | 106.9° |
| C4C | C2 | C12 | 127.2° | 126.8° |
| C4C | N4B | C4A | 103.1° | 105.5° |
| C3 | C2 | C12 | 127.4° | 126.2° |
| C2 | C3 | C4A | 104.5° | 107.6° |
| C2 | C3 | C8 | 126.8° | 124.3° |
| C2 | C12 | CX5 | 115.3° | 114.3° |
| C2 | C12 | H121 | 108.0° | 109.9° |
| C2 | C12 | H122 | 108.0° | 109.3° |
| C4A | C3 | C8 | 128.5° | 128.1° |
| C3 | C4A | N4B | 114.0° | 109.9° |
| C3 | C4A | CB | 124.6° | 127.5° |
| C3 | C8 | H81 | 109.5° | 110.6° |
| C3 | C8 | H82 | 109.4° | 109.6° |
| C3 | C8 | H83 | 109.5° | 109.5° |
| N4B | C4A | CB | 121.4° | 122.6° |
| C4A | CB | C6C | 128.6° | 129.0° |
| C4A | CB | HB | 115.7° | 115.7° |
| C6C | CB | HB | 115.7° | 115.2° |
| CB | C6C | C4 | 124.6° | 126.5° |
| CB | C6C | N6B | 121.6° | 123.4° |
| C4 | C6C | N6B | 113.7° | 110.1° |
| C6C | C4 | C5 | 104.3° | 107.1° |
| C6C | C4 | C18 | 127.9° | 126.5° |
| C6C | N6B | C6A | 102.7° | 105.4° |
| C5 | C4 | C18 | 127.2° | 126.4° |
| C4 | C5 | C6A | 104.7° | 107.2° |
| C4 | C5 | C11 | 130.0° | 125.8° |
| C4 | C18 | C19 | 106.5° | 114.1° |
| C4 | C18 | H181 | 110.2° | 109.4° |
| C4 | C18 | H182 | 110.2° | 109.8° |
| C6A | C5 | C11 | 125.1° | 127.0° |
| C5 | C6A | N6B | 114.5° | 110.3° |
| C5 | C6A | CC | 123.3° | 126.8° |
| C5 | C11 | H111 | 109.5° | 110.1° |
| C5 | C11 | H112 | 109.5° | 110.1° |
| C5 | C11 | H113 | 109.5° | 109.5° |
| N6B | C6A | CC | 122.2° | 123.0° |
| C6A | CC | C8C | 129.7° | 128.9° |
| C6A | CC | HC | 115.2° | 115.7° |
| C8C | CC | HC | 115.2° | 115.3° |
| CC | C8C | C6 | 124.1° | 126.2° |
| CC | C8C | N8B | 121.6° | 123.6° |
| C6 | C8C | N8B | 114.2° | 110.1° |
| C8C | C6 | C7 | 104.2° | 106.9° |
| C8C | C6 | C16 | 126.5° | 126.8° |
| C8C | N8B | C8A | 102.8° | 105.4° |
| C7 | C6 | C16 | 128.4° | 126.3° |
| C6 | C7 | C8A | 104.3° | 107.6° |
| C6 | C7 | C10 | 126.7° | 124.3° |
| C6 | C16 | C17 | 114.5° | 114.3° |
| C6 | C16 | H161 | 108.2° | 110.0° |
| C6 | C16 | H162 | 108.2° | 109.3° |
| C8A | C7 | C10 | 128.6° | 128.1° |
| C7 | C8A | N8B | 113.8° | 109.9° |
| C7 | C8A | CD | 124.6° | 127.6° |
| C7 | C10 | H101 | 109.5° | 110.7° |
| C7 | C10 | H102 | 109.5° | 109.6° |
| C7 | C10 | H103 | 109.5° | 109.5° |
| N8B | C8A | CD | 121.6° | 122.6° |
| C8A | CD | HD | 115.2° | 115.6° |
| H81 | C8 | H82 | 109.5° | 108.7° |
| H81 | C8 | H83 | 109.4° | 109.1° |
| H82 | C8 | H83 | 109.5° | 109.3° |
| H91 | C9 | H92 | 109.4° | 108.5° |
| H91 | C9 | H93 | 109.5° | 109.2° |
| H92 | C9 | H93 | 109.5° | 109.2° |
| H101 | C10 | H102 | 109.4° | 108.6° |
| H101 | C10 | H103 | 109.4° | 109.2° |
| H102 | C10 | H103 | 109.5° | 109.2° |
| H111 | C11 | H112 | 109.5° | 108.4° |
| H111 | C11 | H113 | 109.4° | 109.3° |
| H112 | C11 | H113 | 109.5° | 109.3° |
| CX5 | C12 | H121 | 108.0° | 108.7° |
| CX5 | C12 | H122 | 108.0° | 108.5° |
| C12 | CX5 | C22 | 116.9° | 113.5° |
| C12 | CX5 | H221 | 107.6° | 109.0° |
| C12 | CX5 | H222 | 107.6° | 109.1° |
| H121 | C12 | H122 | 109.5° | 105.9° |
| C22 | CX5 | H221 | 107.6° | 108.6° |
| C22 | CX5 | H222 | 107.6° | 108.9° |
| CX5 | C22 | O3 | 119.9° | 123.7° |
| CX5 | C22 | O22 | 116.8° | 112.8° |
| H221 | CX5 | H222 | 109.5° | 107.7° |
| C15 | C14 | H141 | 106.3° | 108.7° |
| C15 | C14 | H142 | 106.4° | 108.5° |
| C14 | C15 | C21 | 119.3° | 113.5° |
| C14 | C15 | H151 | 107.0° | 109.0° |
| C14 | C15 | H152 | 106.9° | 109.0° |
| H141 | C14 | H142 | 109.4° | 105.9° |
| C21 | C15 | H151 | 107.0° | 108.9° |
| C21 | C15 | H152 | 107.0° | 108.6° |
| C15 | C21 | O1 | 119.1° | 123.7° |
| C15 | C21 | O2 | 118.0° | 112.9° |
| H151 | C15 | H152 | 109.5° | 107.7° |
| C17 | C16 | H161 | 108.2° | 108.6° |
| C17 | C16 | H162 | 108.2° | 108.5° |
| C16 | C17 | C24 | 116.9° | 113.6° |
| C16 | C17 | H171 | 107.6° | 109.0° |
| C16 | C17 | H172 | 107.6° | 108.9° |
| H161 | C16 | H162 | 109.5° | 105.9° |
| C24 | C17 | H171 | 107.6° | 108.9° |
| C24 | C17 | H172 | 107.6° | 108.6° |
| C17 | C24 | O5 | 117.0° | 123.8° |
| C17 | C24 | O6 | 119.8° | 112.8° |
| H171 | C17 | H172 | 109.5° | 107.7° |
| C19 | C18 | H181 | 110.2° | 108.6° |
| C19 | C18 | H182 | 110.2° | 108.6° |
| C18 | C19 | C23 | 113.3° | 113.5° |
| C18 | C19 | H192 | 108.5° | 109.0° |
| C18 | C19 | H191 | 108.5° | 108.9° |
| H181 | C18 | H182 | 109.5° | 106.0° |
| C23 | C19 | H192 | 108.5° | 108.9° |
| C23 | C19 | H191 | 108.5° | 108.6° |
| C19 | C23 | O23 | 119.6° | 112.9° |
| C19 | C23 | O4 | 118.5° | 123.8° |
| H192 | C19 | H191 | 109.5° | 107.7° |
| O1 | C21 | O2 | 122.5° | 123.4° |
| C21 | O2 | HO2 | 109.5° | 112.1° |
| O3 | C22 | O22 | 122.6° | 123.4° |
| C22 | O22 | HO22 | 109.5° | 112.1° |
| O23 | C23 | O4 | 121.8° | 123.4° |
| C23 | O23 | HO32 | 109.5° | 112.1° |
| O5 | C24 | O6 | 122.5° | 123.4° |
| C24 | O6 | HO6 | 109.5° | 112.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2B | CO3 | N4B | N6B | 174.7° | 179.8° |
| N2B | CO3 | N4B | N8B | 85.0° | 114.9° |
| N2B | CO3 | N6B | N8B | 86.0° | 103.2° |
| CO3 | N2B | C2C | C | 178.2° | 178.7° |
| CO3 | N2B | C2A | C1 | 178.8° | 179.2° |
| CO3 | N2B | C2A | C2C | 179.6° | 178.8° |
| CO3 | N2B | C2A | CA | 1.3° | 1.7° |
| CO3 | N2B | C2C | CD | 1.2° | 1.1° |
| N2B | CO3 | N4B | C4C | 0.7° | 1.9° |
| N2B | CO3 | N4B | C4A | 177.9° | 177.7° |
| N2B | CO3 | N6B | C6C | 96.3° | 74.9° |
| N2B | CO3 | N6B | C6A | 83.8° | 105.4° |
| N2B | CO3 | N8B | C8C | 176.3° | 178.6° |
| N2B | CO3 | N8B | C8A | 2.8° | 2.6° |
| N4B | CO3 | N6B | N8B | 179.2° | 179.8° |
| N4B | CO3 | N2B | C2A | 0.3° | 1.5° |
| N4B | CO3 | N2B | C2C | 179.1° | 177.1° |
| CO3 | N4B | C4C | CA | 2.1° | 0.9° |
| CO3 | N4B | C4C | C2 | 177.5° | 179.8° |
| CO3 | N4B | C4C | C4A | 177.7° | 179.7° |
| CO3 | N4B | C4A | C3 | 179.8° | 179.6° |
| CO3 | N4B | C4A | CB | 0.1° | 0.2° |
| N4B | CO3 | N6B | C6C | 3.2° | 1.8° |
| N4B | CO3 | N6B | C6A | 176.9° | 178.0° |
| N4B | CO3 | N8B | C8C | 91.3° | 66.6° |
| N4B | CO3 | N8B | C8A | 87.9° | 112.2° |
| N6B | CO3 | N2B | C2A | 92.7° | 78.1° |
| N6B | CO3 | N2B | C2C | 87.8° | 100.4° |
| N6B | CO3 | N4B | C4C | 173.9° | 178.3° |
| N6B | CO3 | N4B | C4A | 3.2° | 2.1° |
| CO3 | N6B | C6C | CB | 0.0° | 0.8° |
| CO3 | N6B | C6C | C4 | 179.9° | 179.8° |
| CO3 | N6B | C6C | C6A | 179.9° | 179.8° |
| CO3 | N6B | C6A | C5 | 178.6° | 179.6° |
| CO3 | N6B | C6A | CC | 1.5° | 0.3° |
| N6B | CO3 | N8B | C8C | 1.7° | 1.6° |
| N6B | CO3 | N8B | C8A | 177.5° | 177.2° |
| N8B | CO3 | N2B | C2A | 178.8° | 178.7° |
| N8B | CO3 | N2B | C2C | 1.7° | 2.8° |
| N8B | CO3 | N4B | C4C | 84.3° | 116.8° |
| N8B | CO3 | N4B | C4A | 92.8° | 62.9° |
| N8B | CO3 | N6B | C6C | 177.6° | 178.0° |
| N8B | CO3 | N6B | C6A | 2.2° | 2.2° |
| CO3 | N8B | C8C | CC | 6.2° | 1.6° |
| CO3 | N8B | C8C | C6 | 173.8° | 179.2° |
| CO3 | N8B | C8C | C8A | 179.3° | 179.0° |
| CO3 | N8B | C8A | C7 | 178.6° | 179.0° |
| CO3 | N8B | C8A | CD | 0.9° | 0.8° |
| C1 | C | C2C | C14 | 169.3° | 178.9° |
| C | C1 | C2A | C9 | 175.6° | 179.0° |
| C | C1 | C2A | N2B | 0.5° | 0.9° |
| C | C1 | C2A | CA | 179.4° | 179.8° |
| C1 | C | C2C | N2B | 2.0° | 0.7° |
| C1 | C | C2C | CD | 178.7° | 179.6° |
| C | C1 | C9 | H91 | 180.0° | 171.9° |
| C | C1 | C9 | H92 | 60.0° | 52.3° |
| C | C1 | C9 | H93 | 60.0° | 67.6° |
| C1 | C | C14 | C15 | 136.6° | 92.7° |
| C1 | C | C14 | H141 | 101.7° | 29.7° |
| C1 | C | C14 | H142 | 14.9° | 145.6° |
| C2C | C | C1 | C2A | 0.8° | 0.9° |
| C2C | C | C1 | C9 | 176.6° | 180.0° |
| C | C2C | N2B | C2A | 2.3° | 0.1° |
| C | C2C | N2B | CD | 179.4° | 179.7° |
| C | C2C | CD | C8A | 174.7° | 178.1° |
| C | C2C | CD | HD | 5.3° | 2.1° |
| C2C | C | C14 | C15 | 30.8° | 86.0° |
| C2C | C | C14 | H141 | 90.9° | 151.6° |
| C2C | C | C14 | H142 | 152.5° | 35.7° |
| C14 | C | C1 | C2A | 169.7° | 179.8° |
| C14 | C | C1 | C9 | 6.1° | 1.1° |
| C14 | C | C2C | N2B | 167.3° | 179.6° |
| C14 | C | C2C | CD | 12.1° | 0.7° |
| C | C14 | C15 | H141 | 121.7° | 123.1° |
| C | C14 | C15 | H142 | 121.7° | 122.2° |
| C | C14 | H141 | H142 | 114.5° | 118.1° |
| C | C14 | C15 | C21 | 50.5° | 173.5° |
| C | C14 | C15 | H151 | 70.9° | 64.9° |
| C | C14 | C15 | H152 | 171.9° | 52.3° |
| C1 | C2A | N2B | CA | 180.0° | 179.0° |
| C1 | C2A | N2B | C2C | 1.7° | 0.4° |
| C1 | C2A | CA | C4C | 177.2° | 175.1° |
| C1 | C2A | CA | HA | 2.9° | 7.8° |
| C2A | C1 | C9 | H91 | 5.2° | 6.9° |
| C2A | C1 | C9 | H92 | 114.7° | 126.6° |
| C2A | C1 | C9 | H93 | 125.2° | 113.6° |
| C9 | C1 | C2A | N2B | 175.1° | 179.9° |
| C9 | C1 | C2A | CA | 5.0° | 1.2° |
| C1 | C9 | H91 | H92 | 120.0° | 120.4° |
| C1 | C9 | H91 | H93 | 120.0° | 120.7° |
| C1 | C9 | H92 | H93 | 120.0° | 120.1° |
| C2A | N2B | C2C | CD | 178.4° | 179.9° |
| N2B | C2A | CA | C4C | 2.9° | 6.0° |
| N2B | C2A | CA | HA | 177.1° | 171.1° |
| CA | C2A | N2B | C2C | 178.3° | 179.5° |
| C2A | CA | C4C | HA | 180.0° | 177.1° |
| C2A | CA | C4C | C2 | 176.2° | 175.2° |
| C2A | CA | C4C | N4B | 3.3° | 5.6° |
| N2B | C2C | CD | C8A | 4.6° | 2.2° |
| N2B | C2C | CD | HD | 175.4° | 177.6° |
| C2C | CD | C8A | C7 | 177.0° | 177.9° |
| C2C | CD | C8A | N8B | 3.6° | 2.4° |
| C2C | CD | C8A | HD | 180.0° | 179.9° |
| CA | C4C | C2 | N4B | 179.6° | 179.3° |
| CA | C4C | C2 | C3 | 178.1° | 179.6° |
| CA | C4C | C2 | C12 | 13.1° | 0.5° |
| CA | C4C | N4B | C4A | 179.8° | 179.4° |
| HA | CA | C4C | C2 | 3.8° | 7.7° |
| HA | CA | C4C | N4B | 176.7° | 171.5° |
| C4C | C2 | C3 | C12 | 168.8° | 179.9° |
| C4C | C2 | C3 | C4A | 3.3° | 0.4° |
| C4C | C2 | C3 | C8 | 178.1° | 179.9° |
| C2 | C4C | N4B | C4A | 0.2° | 0.1° |
| C4C | C2 | C12 | CX5 | 77.1° | 86.8° |
| C4C | C2 | C12 | H121 | 43.7° | 150.7° |
| C4C | C2 | C12 | H122 | 162.0° | 35.0° |
| N4B | C4C | C2 | C3 | 2.3° | 0.3° |
| N4B | C4C | C2 | C12 | 166.5° | 179.8° |
| C4C | N4B | C4A | C3 | 2.1° | 0.1° |
| C4C | N4B | C4A | CB | 177.6° | 179.5° |
| C2 | C3 | C4A | C8 | 174.7° | 179.5° |
| C2 | C3 | C4A | N4B | 3.6° | 0.3° |
| C2 | C3 | C4A | CB | 176.1° | 179.7° |
| C2 | C3 | C8 | H81 | 180.0° | 175.7° |
| C2 | C3 | C8 | H82 | 60.0° | 55.8° |
| C2 | C3 | C8 | H83 | 60.0° | 64.0° |
| C3 | C2 | C12 | CX5 | 89.2° | 93.4° |
| C3 | C2 | C12 | H121 | 149.9° | 29.1° |
| C3 | C2 | C12 | H122 | 31.6° | 144.9° |
| C12 | C2 | C3 | C4A | 165.5° | 179.7° |
| C12 | C2 | C3 | C8 | 9.4° | 0.2° |
| C2 | C12 | CX5 | H121 | 120.8° | 123.1° |
| C2 | C12 | CX5 | H122 | 120.9° | 122.2° |
| C2 | C12 | H121 | H122 | 117.3° | 117.9° |
| C2 | C12 | CX5 | C22 | 54.9° | 172.4° |
| C2 | C12 | CX5 | H221 | 176.0° | 66.5° |
| C2 | C12 | CX5 | H222 | 66.1° | 50.8° |
| C3 | C4A | N4B | CB | 179.7° | 179.4° |
| C3 | C4A | CB | C6C | 174.5° | 176.6° |
| C3 | C4A | CB | HB | 5.4° | 5.4° |
| C4A | C3 | C8 | H81 | 6.4° | 4.9° |
| C4A | C3 | C8 | H82 | 113.6° | 124.8° |
| C4A | C3 | C8 | H83 | 126.4° | 115.4° |
| C8 | C3 | C4A | N4B | 178.3° | 179.8° |
| C8 | C3 | C4A | CB | 1.4° | 0.8° |
| C3 | C8 | H81 | H82 | 120.0° | 120.4° |
| C3 | C8 | H81 | H83 | 120.0° | 120.5° |
| C3 | C8 | H82 | H83 | 120.0° | 120.0° |
| N4B | C4A | CB | C6C | 5.1° | 4.1° |
| N4B | C4A | CB | HB | 174.9° | 173.9° |
| C4A | CB | C6C | HB | 180.0° | 178.1° |
| C4A | CB | C6C | C4 | 174.9° | 176.2° |
| C4A | CB | C6C | N6B | 5.2° | 4.5° |
| CB | C6C | C4 | N6B | 179.9° | 179.4° |
| CB | C6C | C4 | C5 | 178.7° | 179.5° |
| CB | C6C | C4 | C18 | 9.9° | 0.6° |
| CB | C6C | N6B | C6A | 179.9° | 179.4° |
| HB | CB | C6C | C4 | 5.1° | 5.8° |
| HB | CB | C6C | N6B | 174.8° | 173.6° |
| C6C | C4 | C5 | C18 | 171.4° | 179.9° |
| C6C | C4 | C5 | C6A | 2.1° | 0.2° |
| C6C | C4 | C5 | C11 | 177.2° | 180.0° |
| C4 | C6C | N6B | C6A | 0.0° | 0.0° |
| C6C | C4 | C18 | C19 | 94.6° | 87.2° |
| C6C | C4 | C18 | H181 | 145.9° | 34.7° |
| C6C | C4 | C18 | H182 | 25.0° | 150.7° |
| N6B | C6C | C4 | C5 | 1.4° | 0.1° |
| N6B | C6C | C4 | C18 | 170.0° | 180.0° |
| C6C | N6B | C6A | C5 | 1.5° | 0.2° |
| C6C | N6B | C6A | CC | 178.4° | 179.5° |
| C4 | C5 | C6A | C11 | 175.4° | 179.8° |
| C4 | C5 | C6A | N6B | 2.4° | 0.2° |
| C4 | C5 | C6A | CC | 177.5° | 179.5° |
| C4 | C5 | C11 | H111 | 180.0° | 151.0° |
| C4 | C5 | C11 | H112 | 60.0° | 31.5° |
| C4 | C5 | C11 | H113 | 60.0° | 88.7° |
| C5 | C4 | C18 | C19 | 74.9° | 92.9° |
| C5 | C4 | C18 | H181 | 44.6° | 145.2° |
| C5 | C4 | C18 | H182 | 165.6° | 29.2° |
| C18 | C4 | C5 | C6A | 169.3° | 179.9° |
| C18 | C4 | C5 | C11 | 5.8° | 0.1° |
| C4 | C18 | C19 | H181 | 119.5° | 122.3° |
| C4 | C18 | C19 | H182 | 119.6° | 122.8° |
| C4 | C18 | H181 | H182 | 121.4° | 118.4° |
| C4 | C18 | C19 | C23 | 47.6° | 176.9° |
| C4 | C18 | C19 | H192 | 73.0° | 55.2° |
| C4 | C18 | C19 | H191 | 168.1° | 62.0° |
| C5 | C6A | N6B | CC | 179.9° | 179.3° |
| C5 | C6A | CC | C8C | 176.0° | 175.8° |
| C5 | C6A | CC | HC | 4.0° | 6.9° |
| C6A | C5 | C11 | H111 | 5.8° | 28.8° |
| C6A | C5 | C11 | H112 | 125.8° | 148.3° |
| C6A | C5 | C11 | H113 | 114.2° | 91.5° |
| C11 | C5 | C6A | N6B | 177.8° | 180.0° |
| C11 | C5 | C6A | CC | 2.1° | 0.7° |
| C5 | C11 | H111 | H112 | 120.0° | 120.6° |
| C5 | C11 | H111 | H113 | 120.0° | 120.4° |
| C5 | C11 | H112 | H113 | 120.0° | 120.3° |
| N6B | C6A | CC | C8C | 3.9° | 4.9° |
| N6B | C6A | CC | HC | 176.1° | 172.3° |
| C6A | CC | C8C | HC | 180.0° | 177.3° |
| C6A | CC | C8C | C6 | 172.1° | 175.2° |
| C6A | CC | C8C | N8B | 7.9° | 5.6° |
| CC | C8C | C6 | N8B | 180.0° | 179.2° |
| CC | C8C | C6 | C7 | 171.2° | 179.5° |
| CC | C8C | C6 | C16 | 19.0° | 0.6° |
| CC | C8C | N8B | C8A | 173.1° | 179.4° |
| HC | CC | C8C | C6 | 7.9° | 7.5° |
| HC | CC | C8C | N8B | 172.1° | 171.6° |
| C8C | C6 | C7 | C16 | 169.5° | 179.9° |
| C8C | C6 | C7 | C8A | 6.6° | 0.3° |
| C8C | C6 | C7 | C10 | 179.6° | 180.0° |
| C6 | C8C | N8B | C8A | 6.9° | 0.1° |
| C8C | C6 | C16 | C17 | 69.8° | 86.9° |
| C8C | C6 | C16 | H161 | 169.4° | 150.7° |
| C8C | C6 | C16 | H162 | 50.9° | 34.9° |
| N8B | C8C | C6 | C7 | 8.8° | 0.3° |
| N8B | C8C | C6 | C16 | 161.0° | 179.9° |
| C8C | N8B | C8A | C7 | 2.1° | 0.0° |
| C8C | N8B | C8A | CD | 178.3° | 179.8° |
| C6 | C7 | C8A | C10 | 172.8° | 179.7° |
| C6 | C7 | C8A | N8B | 3.0° | 0.2° |
| C6 | C7 | C8A | CD | 176.5° | 179.9° |
| C6 | C7 | C10 | H101 | 85.8° | 174.7° |
| C6 | C7 | C10 | H102 | 154.2° | 54.9° |
| C6 | C7 | C10 | H103 | 34.2° | 64.9° |
| C7 | C6 | C16 | C17 | 97.5° | 93.3° |
| C7 | C6 | C16 | H161 | 23.2° | 29.2° |
| C7 | C6 | C16 | H162 | 141.7° | 145.0° |
| C16 | C6 | C7 | C8A | 162.9° | 179.8° |
| C16 | C6 | C7 | C10 | 10.1° | 0.1° |
| C6 | C16 | C17 | H161 | 120.7° | 123.2° |
| C6 | C16 | C17 | H162 | 120.7° | 122.2° |
| C6 | C16 | H161 | H162 | 117.7° | 117.9° |
| C6 | C16 | C17 | C24 | 58.2° | 173.9° |
| C6 | C16 | C17 | H171 | 62.9° | 64.4° |
| C6 | C16 | C17 | H172 | 179.3° | 52.8° |
| C7 | C8A | N8B | CD | 179.5° | 179.7° |
| C7 | C8A | CD | HD | 3.1° | 2.2° |
| C8A | C7 | C10 | H101 | 85.5° | 5.6° |
| C8A | C7 | C10 | H102 | 34.5° | 125.5° |
| C8A | C7 | C10 | H103 | 154.5° | 114.8° |
| C10 | C7 | C8A | N8B | 175.8° | 179.9° |
| C10 | C7 | C8A | CD | 3.7° | 0.4° |
| C7 | C10 | H101 | H102 | 120.0° | 120.4° |
| C7 | C10 | H101 | H103 | 120.0° | 120.6° |
| C7 | C10 | H102 | H103 | 120.0° | 119.9° |
| N8B | C8A | CD | HD | 176.4° | 177.5° |
| H81 | C8 | H82 | H83 | 119.9° | 119.0° |
| H91 | C9 | H92 | H93 | 120.0° | 119.0° |
| H101 | C10 | H102 | H103 | 119.9° | 119.0° |
| H111 | C11 | H112 | H113 | 119.9° | 119.1° |
| CX5 | C12 | H121 | H122 | 117.4° | 116.4° |
| C12 | CX5 | C22 | H221 | 121.1° | 121.4° |
| C12 | CX5 | C22 | H222 | 121.1° | 121.7° |
| C12 | CX5 | H221 | H222 | 116.6° | 118.2° |
| C12 | CX5 | C22 | O3 | 90.5° | 94.0° |
| C12 | CX5 | C22 | O22 | 80.5° | 86.1° |
| H121 | C12 | CX5 | C22 | 65.9° | 49.3° |
| H121 | C12 | CX5 | H221 | 55.2° | 170.4° |
| H121 | C12 | CX5 | H222 | 173.0° | 72.3° |
| H122 | C12 | CX5 | C22 | 175.8° | 65.4° |
| H122 | C12 | CX5 | H221 | 63.1° | 55.7° |
| H122 | C12 | CX5 | H222 | 54.7° | 173.0° |
| C22 | CX5 | H221 | H222 | 116.7° | 117.7° |
| CX5 | C22 | O3 | O22 | 170.5° | 179.9° |
| CX5 | C22 | O22 | HO22 | 170.7° | 180.0° |
| H221 | CX5 | C22 | O3 | 30.5° | 27.4° |
| H221 | CX5 | C22 | O22 | 158.5° | 152.5° |
| H222 | CX5 | C22 | O3 | 148.4° | 144.3° |
| H222 | CX5 | C22 | O22 | 40.6° | 35.6° |
| C15 | C14 | H141 | H142 | 114.5° | 116.4° |
| C14 | C15 | C21 | H151 | 121.4° | 121.6° |
| C14 | C15 | C21 | H152 | 121.4° | 121.4° |
| C14 | C15 | H151 | H152 | 115.5° | 118.1° |
| C14 | C15 | C21 | O1 | 130.3° | 94.0° |
| C14 | C15 | C21 | O2 | 56.9° | 86.1° |
| H141 | C14 | C15 | C21 | 172.2° | 50.4° |
| H141 | C14 | C15 | H151 | 50.8° | 172.0° |
| H141 | C14 | C15 | H152 | 66.4° | 70.7° |
| H142 | C14 | C15 | C21 | 71.2° | 64.3° |
| H142 | C14 | C15 | H151 | 167.4° | 57.3° |
| H142 | C14 | C15 | H152 | 50.2° | 174.5° |
| C21 | C15 | H151 | H152 | 115.5° | 117.6° |
| C15 | C21 | O1 | O2 | 172.5° | 179.9° |
| C15 | C21 | O2 | HO2 | 172.5° | 180.0° |
| H151 | C15 | C21 | O1 | 108.3° | 144.4° |
| H151 | C15 | C21 | O2 | 64.5° | 35.5° |
| H152 | C15 | C21 | O1 | 8.9° | 27.4° |
| H152 | C15 | C21 | O2 | 178.3° | 152.5° |
| C17 | C16 | H161 | H162 | 117.7° | 116.3° |
| C16 | C17 | C24 | H171 | 121.1° | 121.7° |
| C16 | C17 | C24 | H172 | 121.1° | 121.3° |
| C16 | C17 | H171 | H172 | 116.6° | 118.0° |
| C16 | C17 | C24 | O5 | 83.1° | 94.0° |
| C16 | C17 | C24 | O6 | 87.3° | 85.9° |
| H161 | C16 | C17 | C24 | 178.9° | 50.7° |
| H161 | C16 | C17 | H171 | 57.9° | 172.4° |
| H161 | C16 | C17 | H172 | 60.0° | 70.4° |
| H162 | C16 | C17 | C24 | 62.5° | 63.9° |
| H162 | C16 | C17 | H171 | 176.4° | 57.7° |
| H162 | C16 | C17 | H172 | 58.6° | 175.0° |
| C24 | C17 | H171 | H172 | 116.6° | 117.6° |
| C17 | C24 | O5 | O6 | 170.1° | 179.9° |
| C17 | C24 | O6 | HO6 | 169.8° | 180.0° |
| H171 | C17 | C24 | O5 | 38.0° | 144.4° |
| H171 | C17 | C24 | O6 | 151.6° | 35.7° |
| H172 | C17 | C24 | O5 | 155.9° | 27.4° |
| H172 | C17 | C24 | O6 | 33.8° | 152.7° |
| C19 | C18 | H181 | H182 | 121.4° | 116.5° |
| C18 | C19 | C23 | H192 | 120.5° | 121.7° |
| C18 | C19 | C23 | H191 | 120.6° | 121.3° |
| C18 | C19 | H192 | H191 | 118.3° | 118.1° |
| C18 | C19 | C23 | O23 | 151.7° | 86.1° |
| C18 | C19 | C23 | O4 | 24.3° | 94.0° |
| H181 | C18 | C19 | C23 | 167.1° | 60.8° |
| H181 | C18 | C19 | H192 | 46.6° | 177.5° |
| H181 | C18 | C19 | H191 | 72.3° | 60.3° |
| H182 | C18 | C19 | C23 | 72.0° | 54.1° |
| H182 | C18 | C19 | H192 | 167.5° | 67.6° |
| H182 | C18 | C19 | H191 | 48.6° | 175.2° |
| C23 | C19 | H192 | H191 | 118.3° | 117.6° |
| C19 | C23 | O23 | O4 | 175.9° | 179.9° |
| C19 | C23 | O23 | HO32 | 175.9° | 179.9° |
| H192 | C19 | C23 | O23 | 87.8° | 35.6° |
| H192 | C19 | C23 | O4 | 96.2° | 144.4° |
| H191 | C19 | C23 | O23 | 31.1° | 152.6° |
| H191 | C19 | C23 | O4 | 144.9° | 27.3° |
| O1 | C21 | O2 | HO2 | 0.0° | 0.1° |
| O3 | C22 | O22 | HO22 | 0.0° | 0.0° |
| O4 | C23 | O23 | HO32 | 0.0° | 0.0° |
| O5 | C24 | O6 | HO6 | 0.0° | 0.1° |
