SPP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C3 | sing | 1.40Å | 1.41Å | Aromatic |
| C2 | N1 | doub | 1.32Å | 1.33Å | Aromatic |
| C2 | N7 | sing | 1.39Å | 1.42Å | |
| C3 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | N | sing | 1.40Å | 1.40Å | |
| C4 | C5 | sing | 1.39Å | 1.38Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | N1 | sing | 1.32Å | 1.35Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | C9 | sing | 1.53Å | 1.51Å | |
| C8 | N7 | sing | 1.47Å | 1.48Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C9 | N10 | sing | 1.47Å | 1.47Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.53Å | 1.51Å | |
| C11 | N10 | sing | 1.47Å | 1.47Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | N7 | sing | 1.47Å | 1.49Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C | C14 | sing | 1.47Å | 1.51Å | |
| C | N10 | sing | 1.35Å | 1.32Å | |
| C | O | doub | 1.22Å | 1.26Å | |
| C14 | C15 | doub | 1.36Å | 1.38Å | Aromatic |
| C14 | N13 | sing | 1.38Å | 1.37Å | Aromatic |
| C15 | C21 | sing | 1.42Å | 1.43Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C21 | sing | 1.40Å | 1.41Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | C18 | sing | 1.40Å | 1.39Å | Aromatic |
| C17 | ND | sing | 1.40Å | 1.40Å | |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | C20 | sing | 1.39Å | 1.41Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | C21 | doub | 1.41Å | 1.41Å | Aromatic |
| C20 | N13 | sing | 1.38Å | 1.37Å | Aromatic |
| CA | CB | sing | 1.53Å | 1.51Å | |
| CA | CC | sing | 1.53Å | 1.50Å | |
| CA | N | sing | 1.47Å | 1.48Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CC | HC1 | sing | 1.09Å | 1.10Å | |
| CC | HC2 | sing | 1.09Å | 1.10Å | |
| CC | HC3 | sing | 1.09Å | 1.10Å | |
| CE | S | sing | 1.81Å | 1.77Å | |
| CE | HE1 | sing | 1.09Å | 1.10Å | |
| CE | HE2 | sing | 1.09Å | 1.10Å | |
| CE | HE3 | sing | 1.09Å | 1.10Å | |
| N | HN | sing | 0.97Å | 1.00Å | |
| N13 | HN3 | sing | 0.97Å | 1.00Å | |
| ND | S | sing | 1.66Å | 1.62Å | |
| ND | HND | sing | 0.97Å | 1.00Å | |
| OS1 | S | doub | 1.42Å | 1.43Å | |
| OS2 | S | doub | 1.42Å | 1.43Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C2 | N1 | 123.8° | 120.5° |
| C3 | C2 | N7 | 118.0° | 119.7° |
| C2 | C3 | C4 | 116.9° | 119.0° |
| C2 | C3 | N | 120.2° | 120.5° |
| N1 | C2 | N7 | 118.2° | 119.8° |
| C2 | N1 | C6 | 117.5° | 121.7° |
| C2 | N7 | C8 | 116.4° | 111.0° |
| C2 | N7 | C12 | 116.0° | 111.0° |
| C4 | C3 | N | 122.9° | 120.5° |
| C3 | C4 | C5 | 120.8° | 118.4° |
| C3 | C4 | H4 | 119.6° | 120.8° |
| C3 | N | CA | 125.1° | 120.0° |
| C3 | N | HN | 105.4° | 120.0° |
| C5 | C4 | H4 | 119.6° | 120.8° |
| C4 | C5 | C6 | 117.4° | 119.4° |
| C4 | C5 | H5 | 121.3° | 120.3° |
| C6 | C5 | H5 | 121.3° | 120.4° |
| C5 | C6 | N1 | 123.6° | 121.0° |
| C5 | C6 | H6 | 118.2° | 119.5° |
| N1 | C6 | H6 | 118.2° | 119.5° |
| C9 | C8 | N7 | 110.4° | 109.4° |
| C9 | C8 | H81 | 109.2° | 109.5° |
| C9 | C8 | H82 | 109.2° | 109.5° |
| C8 | C9 | N10 | 106.1° | 108.5° |
| C8 | C9 | H91 | 110.3° | 109.6° |
| C8 | C9 | H92 | 110.3° | 109.7° |
| N7 | C8 | H81 | 109.3° | 109.5° |
| N7 | C8 | H82 | 109.2° | 109.5° |
| C8 | N7 | C12 | 108.7° | 111.3° |
| H81 | C8 | H82 | 109.5° | 109.5° |
| N10 | C9 | H91 | 110.3° | 109.6° |
| N10 | C9 | H92 | 110.3° | 109.6° |
| C9 | N10 | C11 | 111.7° | 118.2° |
| C9 | N10 | C | 121.3° | 120.9° |
| H91 | C9 | H92 | 109.5° | 109.8° |
| C12 | C11 | N10 | 108.9° | 108.5° |
| C12 | C11 | H111 | 109.6° | 109.6° |
| C12 | C11 | H112 | 109.6° | 109.7° |
| C11 | C12 | N7 | 113.3° | 109.3° |
| C11 | C12 | H121 | 108.5° | 109.5° |
| C11 | C12 | H122 | 108.5° | 109.5° |
| N10 | C11 | H111 | 109.6° | 109.6° |
| N10 | C11 | H112 | 109.6° | 109.7° |
| C11 | N10 | C | 125.6° | 120.9° |
| H111 | C11 | H112 | 109.5° | 109.8° |
| N7 | C12 | H121 | 108.5° | 109.5° |
| N7 | C12 | H122 | 108.5° | 109.5° |
| H121 | C12 | H122 | 109.5° | 109.5° |
| C14 | C | N10 | 118.5° | 120.0° |
| C14 | C | O | 119.0° | 120.0° |
| C | C14 | C15 | 133.6° | 125.5° |
| C | C14 | N13 | 117.8° | 125.4° |
| N10 | C | O | 122.6° | 120.0° |
| C15 | C14 | N13 | 108.6° | 109.1° |
| C14 | C15 | C21 | 107.5° | 107.8° |
| C14 | C15 | H15 | 126.3° | 126.1° |
| C14 | N13 | C20 | 109.6° | 108.8° |
| C14 | N13 | HN3 | 125.2° | 125.6° |
| C21 | C15 | H15 | 126.3° | 126.2° |
| C15 | C21 | C16 | 133.2° | 133.3° |
| C15 | C21 | C20 | 106.4° | 107.0° |
| C17 | C16 | C21 | 117.3° | 119.7° |
| C17 | C16 | H16 | 121.4° | 120.1° |
| C16 | C17 | C18 | 122.3° | 120.3° |
| C16 | C17 | ND | 119.6° | 119.9° |
| C21 | C16 | H16 | 121.4° | 120.2° |
| C16 | C21 | C20 | 120.4° | 119.7° |
| C18 | C17 | ND | 118.1° | 119.8° |
| C17 | C18 | C19 | 121.4° | 120.6° |
| C17 | C18 | H18 | 119.3° | 119.7° |
| C17 | ND | S | 127.6° | 119.9° |
| C17 | ND | HND | 104.8° | 120.0° |
| C19 | C18 | H18 | 119.3° | 119.7° |
| C18 | C19 | C20 | 117.3° | 120.0° |
| C18 | C19 | H19 | 121.4° | 120.0° |
| C20 | C19 | H19 | 121.4° | 120.0° |
| C19 | C20 | C21 | 121.4° | 119.7° |
| C19 | C20 | N13 | 130.6° | 133.0° |
| C21 | C20 | N13 | 107.9° | 107.3° |
| C20 | N13 | HN3 | 125.2° | 125.6° |
| CB | CA | CC | 110.8° | 109.4° |
| CB | CA | N | 111.9° | 109.5° |
| CB | CA | HA | 107.5° | 109.5° |
| CA | CB | HB1 | 109.5° | 109.5° |
| CA | CB | HB2 | 109.5° | 109.4° |
| CA | CB | HB3 | 109.5° | 109.5° |
| CC | CA | N | 110.9° | 109.5° |
| CC | CA | HA | 107.7° | 109.5° |
| CA | CC | HC1 | 109.5° | 109.4° |
| CA | CC | HC2 | 109.5° | 109.5° |
| CA | CC | HC3 | 109.4° | 109.5° |
| N | CA | HA | 107.9° | 109.5° |
| CA | N | HN | 105.5° | 120.0° |
| HB1 | CB | HB2 | 109.4° | 109.5° |
| HB1 | CB | HB3 | 109.5° | 109.5° |
| HB2 | CB | HB3 | 109.5° | 109.4° |
| HC1 | CC | HC2 | 109.4° | 109.5° |
| HC1 | CC | HC3 | 109.5° | 109.5° |
| HC2 | CC | HC3 | 109.5° | 109.5° |
| S | CE | HE1 | 109.5° | 109.5° |
| S | CE | HE2 | 109.5° | 109.5° |
| S | CE | HE3 | 109.5° | 109.5° |
| CE | S | ND | 105.8° | 104.5° |
| CE | S | OS1 | 108.8° | 110.5° |
| CE | S | OS2 | 108.8° | 110.5° |
| HE1 | CE | HE2 | 109.5° | 109.5° |
| HE1 | CE | HE3 | 109.5° | 109.5° |
| HE2 | CE | HE3 | 109.4° | 109.5° |
| S | ND | HND | 104.7° | 120.1° |
| ND | S | OS1 | 108.3° | 104.3° |
| ND | S | OS2 | 109.2° | 104.3° |
| OS1 | S | OS2 | 115.5° | 121.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C2 | N1 | N7 | 179.1° | 179.7° |
| C2 | C3 | C4 | N | 179.2° | 179.9° |
| C2 | C3 | C4 | C5 | 0.5° | 0.1° |
| C2 | C3 | C4 | H4 | 179.6° | 180.0° |
| C3 | C2 | N1 | C6 | 0.5° | 0.1° |
| C3 | C2 | N7 | C8 | 146.9° | 115.2° |
| C3 | C2 | N7 | C12 | 83.2° | 120.5° |
| C2 | C3 | N | CA | 168.2° | 174.6° |
| C2 | C3 | N | HN | 46.1° | 5.5° |
| N1 | C2 | C3 | C4 | 0.5° | 0.1° |
| N1 | C2 | C3 | N | 179.7° | 180.0° |
| C2 | N1 | C6 | C5 | 0.6° | 0.1° |
| C2 | N1 | C6 | H6 | 179.4° | 180.0° |
| N1 | C2 | N7 | C8 | 33.9° | 65.1° |
| N1 | C2 | N7 | C12 | 96.0° | 59.2° |
| N7 | C2 | C3 | C4 | 179.6° | 179.8° |
| N7 | C2 | C3 | N | 1.2° | 0.3° |
| N7 | C2 | N1 | C6 | 179.6° | 179.8° |
| C2 | N7 | C8 | C9 | 167.4° | 172.8° |
| C2 | N7 | C8 | C12 | 133.3° | 124.1° |
| C2 | N7 | C8 | H81 | 72.5° | 67.2° |
| C2 | N7 | C8 | H82 | 47.2° | 52.8° |
| C2 | N7 | C12 | C11 | 172.9° | 172.8° |
| C2 | N7 | C12 | H121 | 52.3° | 52.8° |
| C2 | N7 | C12 | H122 | 66.6° | 67.3° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.5° | 0.1° |
| C3 | C4 | C5 | H5 | 179.4° | 180.0° |
| C4 | C3 | N | CA | 11.0° | 5.3° |
| C4 | C3 | N | HN | 133.1° | 174.6° |
| N | C3 | C4 | C5 | 179.7° | 180.0° |
| N | C3 | C4 | H4 | 0.4° | 0.1° |
| C3 | N | CA | CB | 51.2° | 155.0° |
| C3 | N | CA | CC | 73.0° | 85.0° |
| C3 | N | CA | HN | 122.1° | 180.0° |
| C3 | N | CA | HA | 169.3° | 35.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | N1 | 0.6° | 0.2° |
| C4 | C5 | C6 | H6 | 179.4° | 180.0° |
| H4 | C4 | C5 | C6 | 179.5° | 179.9° |
| H4 | C4 | C5 | H5 | 0.5° | 0.1° |
| C5 | C6 | N1 | H6 | 180.0° | 179.8° |
| H5 | C5 | C6 | N1 | 179.4° | 180.0° |
| H5 | C5 | C6 | H6 | 0.6° | 0.1° |
| C9 | C8 | N7 | H81 | 120.1° | 120.0° |
| C9 | C8 | N7 | H82 | 120.1° | 120.0° |
| C9 | C8 | H81 | H82 | 119.6° | 120.0° |
| C8 | C9 | N10 | H91 | 119.5° | 119.7° |
| C8 | C9 | N10 | H92 | 119.5° | 119.7° |
| C8 | C9 | H91 | H92 | 121.5° | 120.6° |
| C8 | C9 | N10 | C11 | 64.0° | 51.2° |
| C9 | C8 | N7 | C12 | 59.4° | 63.1° |
| C8 | C9 | N10 | C | 103.2° | 128.8° |
| N7 | C8 | H81 | H82 | 119.6° | 120.0° |
| N7 | C8 | C9 | N10 | 64.2° | 53.8° |
| N7 | C8 | C9 | H91 | 55.3° | 65.8° |
| N7 | C8 | C9 | H92 | 176.3° | 173.5° |
| C8 | N7 | C12 | C11 | 53.6° | 63.1° |
| C8 | N7 | C12 | H121 | 174.2° | 177.0° |
| C8 | N7 | C12 | H122 | 66.9° | 56.9° |
| H81 | C8 | C9 | N10 | 55.9° | 66.2° |
| H81 | C8 | C9 | H91 | 175.4° | 174.2° |
| H81 | C8 | C9 | H92 | 63.5° | 53.5° |
| H81 | C8 | N7 | C12 | 60.8° | 56.9° |
| H82 | C8 | C9 | N10 | 175.7° | 173.8° |
| H82 | C8 | C9 | H91 | 64.9° | 54.1° |
| H82 | C8 | C9 | H92 | 56.2° | 66.5° |
| H82 | C8 | N7 | C12 | 179.5° | 176.9° |
| N10 | C9 | H91 | H92 | 121.5° | 120.4° |
| C9 | N10 | C11 | C12 | 58.4° | 51.2° |
| C9 | N10 | C11 | C | 166.6° | 180.0° |
| C9 | N10 | C11 | H111 | 178.3° | 170.9° |
| C9 | N10 | C11 | H112 | 61.5° | 68.6° |
| C9 | N10 | C | C14 | 177.2° | 179.3° |
| C9 | N10 | C | O | 2.8° | 0.8° |
| H91 | C9 | N10 | C11 | 55.4° | 68.5° |
| H91 | C9 | N10 | C | 137.4° | 111.5° |
| H92 | C9 | N10 | C11 | 176.5° | 170.9° |
| H92 | C9 | N10 | C | 16.3° | 9.1° |
| C12 | C11 | N10 | H111 | 119.9° | 119.7° |
| C12 | C11 | N10 | H112 | 119.9° | 119.8° |
| C12 | C11 | H111 | H112 | 120.3° | 120.5° |
| C11 | C12 | N7 | H121 | 120.6° | 119.9° |
| C11 | C12 | N7 | H122 | 120.5° | 120.0° |
| C11 | C12 | H121 | H122 | 118.2° | 120.1° |
| C12 | C11 | N10 | C | 108.2° | 128.8° |
| N10 | C11 | H111 | H112 | 120.3° | 120.5° |
| N10 | C11 | C12 | N7 | 52.7° | 53.9° |
| N10 | C11 | C12 | H121 | 173.3° | 173.8° |
| N10 | C11 | C12 | H122 | 67.9° | 66.1° |
| C11 | N10 | C | C14 | 11.8° | 0.7° |
| C11 | N10 | C | O | 168.1° | 179.3° |
| H111 | C11 | C12 | N7 | 172.6° | 173.5° |
| H111 | C11 | C12 | H121 | 66.8° | 66.5° |
| H111 | C11 | C12 | H122 | 52.0° | 53.5° |
| H111 | C11 | N10 | C | 11.7° | 9.1° |
| H112 | C11 | C12 | N7 | 67.2° | 65.9° |
| H112 | C11 | C12 | H121 | 53.4° | 54.0° |
| H112 | C11 | C12 | H122 | 172.3° | 174.1° |
| H112 | C11 | N10 | C | 131.9° | 111.5° |
| N7 | C12 | H121 | H122 | 118.3° | 120.1° |
| C14 | C | N10 | O | 179.9° | 180.0° |
| C | C14 | C15 | N13 | 178.3° | 179.7° |
| C | C14 | C15 | C21 | 177.8° | 180.0° |
| C | C14 | C15 | H15 | 2.2° | 0.0° |
| C | C14 | N13 | C20 | 178.1° | 179.8° |
| C | C14 | N13 | HN3 | 1.9° | 0.0° |
| N10 | C | C14 | C15 | 26.8° | 154.5° |
| N10 | C | C14 | N13 | 151.3° | 25.2° |
| O | C | C14 | C15 | 153.3° | 25.6° |
| O | C | C14 | N13 | 28.6° | 154.7° |
| C14 | C15 | C21 | H15 | 180.0° | 180.0° |
| C14 | C15 | C21 | C16 | 179.8° | 180.0° |
| C14 | C15 | C21 | C20 | 0.2° | 0.0° |
| C15 | C14 | N13 | C20 | 0.5° | 0.4° |
| C15 | C14 | N13 | HN3 | 179.5° | 179.7° |
| N13 | C14 | C15 | C21 | 0.4° | 0.2° |
| N13 | C14 | C15 | H15 | 179.5° | 179.8° |
| C14 | N13 | C20 | C19 | 179.8° | 179.9° |
| C14 | N13 | C20 | C21 | 0.4° | 0.5° |
| C14 | N13 | C20 | HN3 | 180.0° | 179.8° |
| C15 | C21 | C16 | C17 | 179.9° | 180.0° |
| C15 | C21 | C16 | C20 | 179.5° | 179.9° |
| C15 | C21 | C16 | H16 | 0.1° | 0.1° |
| C15 | C21 | C20 | C19 | 179.9° | 180.0° |
| C15 | C21 | C20 | N13 | 0.1° | 0.3° |
| H15 | C15 | C21 | C16 | 0.2° | 0.0° |
| H15 | C15 | C21 | C20 | 179.8° | 180.0° |
| C17 | C16 | C21 | H16 | 180.0° | 179.9° |
| C16 | C17 | C18 | ND | 179.4° | 180.0° |
| C16 | C17 | C18 | C19 | 0.7° | 0.0° |
| C16 | C17 | C18 | H18 | 179.3° | 180.0° |
| C17 | C16 | C21 | C20 | 0.4° | 0.0° |
| C16 | C17 | ND | S | 4.3° | 106.6° |
| C16 | C17 | ND | HND | 118.1° | 73.4° |
| C21 | C16 | C17 | C18 | 0.6° | 0.0° |
| C21 | C16 | C17 | ND | 179.9° | 180.0° |
| C16 | C21 | C20 | C19 | 0.3° | 0.0° |
| C16 | C21 | C20 | N13 | 179.5° | 179.8° |
| H16 | C16 | C17 | C18 | 179.4° | 180.0° |
| H16 | C16 | C17 | ND | 0.1° | 0.0° |
| H16 | C16 | C21 | C20 | 179.6° | 180.0° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.5° | 0.0° |
| C17 | C18 | C19 | H19 | 179.5° | 180.0° |
| C18 | C17 | ND | S | 176.3° | 73.4° |
| C18 | C17 | ND | HND | 61.3° | 106.6° |
| ND | C17 | C18 | C19 | 180.0° | 180.0° |
| ND | C17 | C18 | H18 | 0.0° | 0.0° |
| C17 | ND | S | CE | 71.8° | 64.4° |
| C17 | ND | S | HND | 122.4° | 180.0° |
| C17 | ND | S | OS1 | 171.7° | 51.6° |
| C17 | ND | S | OS2 | 45.2° | 179.5° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.3° | 0.0° |
| C18 | C19 | C20 | N13 | 179.4° | 179.7° |
| H18 | C18 | C19 | C20 | 179.5° | 180.0° |
| H18 | C18 | C19 | H19 | 0.5° | 0.0° |
| C19 | C20 | C21 | N13 | 179.8° | 179.7° |
| C19 | C20 | N13 | HN3 | 0.1° | 0.0° |
| H19 | C19 | C20 | C21 | 179.7° | 180.0° |
| H19 | C19 | C20 | N13 | 0.6° | 0.4° |
| C21 | C20 | N13 | HN3 | 179.6° | 179.7° |
| CB | CA | CC | N | 124.9° | 120.0° |
| CB | CA | CC | HA | 117.3° | 120.0° |
| CB | CA | N | HA | 118.0° | 120.0° |
| CA | CB | HB1 | HB2 | 120.0° | 120.0° |
| CA | CB | HB1 | HB3 | 120.0° | 120.0° |
| CA | CB | HB2 | HB3 | 120.0° | 119.9° |
| CB | CA | CC | HC1 | 180.0° | 60.0° |
| CB | CA | CC | HC2 | 60.0° | 60.0° |
| CB | CA | CC | HC3 | 60.0° | 180.0° |
| CB | CA | N | HN | 70.9° | 25.0° |
| CC | CA | N | HA | 117.7° | 120.0° |
| CC | CA | CB | HB1 | 180.0° | 60.0° |
| CC | CA | CB | HB2 | 60.0° | 180.0° |
| CC | CA | CB | HB3 | 60.0° | 60.0° |
| CA | CC | HC1 | HC2 | 120.0° | 120.0° |
| CA | CC | HC1 | HC3 | 120.0° | 120.0° |
| CA | CC | HC2 | HC3 | 120.0° | 120.0° |
| CC | CA | N | HN | 164.9° | 95.0° |
| N | CA | CB | HB1 | 55.7° | 180.0° |
| N | CA | CB | HB2 | 175.7° | 60.0° |
| N | CA | CB | HB3 | 64.3° | 60.0° |
| N | CA | CC | HC1 | 55.1° | 180.0° |
| N | CA | CC | HC2 | 64.9° | 60.0° |
| N | CA | CC | HC3 | 175.1° | 60.0° |
| HA | CA | CB | HB1 | 62.6° | 59.9° |
| HA | CA | CB | HB2 | 57.4° | 60.1° |
| HA | CA | CB | HB3 | 177.4° | NaN° |
| HA | CA | CC | HC1 | 62.7° | 60.0° |
| HA | CA | CC | HC2 | 177.3° | 180.0° |
| HA | CA | CC | HC3 | 57.3° | 60.0° |
| HA | CA | N | HN | 47.2° | 145.0° |
| HB1 | CB | HB2 | HB3 | 120.0° | 120.1° |
| HC1 | CC | HC2 | HC3 | 120.0° | 120.0° |
| S | CE | HE1 | HE2 | 120.0° | 120.0° |
| S | CE | HE1 | HE3 | 120.0° | 120.0° |
| S | CE | HE2 | HE3 | 120.0° | 120.0° |
| CE | S | ND | OS1 | 116.5° | 116.1° |
| CE | S | ND | OS2 | 117.0° | 116.0° |
| CE | S | ND | HND | 165.8° | 115.5° |
| CE | S | OS1 | OS2 | 122.6° | 131.5° |
| HE1 | CE | HE2 | HE3 | 120.0° | 120.0° |
| HE1 | CE | S | ND | 180.0° | 64.8° |
| HE1 | CE | S | OS1 | 63.8° | 176.5° |
| HE1 | CE | S | OS2 | 62.7° | 46.8° |
| HE2 | CE | S | ND | 60.0° | 175.1° |
| HE2 | CE | S | OS1 | 56.2° | 63.5° |
| HE2 | CE | S | OS2 | 177.2° | 73.3° |
| HE3 | CE | S | ND | 60.0° | 55.1° |
| HE3 | CE | S | OS1 | 176.2° | 56.5° |
| HE3 | CE | S | OS2 | 57.3° | 166.7° |
| ND | S | OS1 | OS2 | 122.8° | 116.8° |
| HND | ND | S | OS1 | 49.3° | 128.4° |
| HND | ND | S | OS2 | 77.2° | 0.5° |
