0FY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C40 | C23 | sing | 1.53Å | 1.56Å | |
| C23 | C22 | sing | 1.53Å | 1.57Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C22 | C21 | sing | 1.53Å | 1.55Å | |
| C21 | C20 | sing | 1.53Å | 1.55Å | |
| C24 | N19 | sing | 1.47Å | 1.49Å | |
| N19 | C20 | sing | 1.47Å | 1.49Å | |
| N19 | C18 | sing | 1.47Å | 1.49Å | |
| N16 | S17 | sing | 1.70Å | 1.64Å | Aromatic |
| N16 | C15 | doub | 1.30Å | 1.35Å | Aromatic |
| S17 | C13 | sing | 1.72Å | 1.81Å | Aromatic |
| C11 | C1 | sing | 1.51Å | 1.49Å | |
| C18 | C15 | sing | 1.51Å | 1.46Å | |
| C15 | C14 | sing | 1.38Å | 1.43Å | Aromatic |
| C1 | N2 | sing | 1.34Å | 1.37Å | Aromatic |
| C1 | C6 | doub | 1.35Å | 1.35Å | Aromatic |
| N2 | C3 | doub | 1.32Å | 1.33Å | Aromatic |
| N36 | C35 | doub | 1.32Å | 1.33Å | Aromatic |
| N36 | C37 | sing | 1.32Å | 1.36Å | Aromatic |
| C13 | C14 | doub | 1.36Å | 1.37Å | Aromatic |
| C13 | N12 | sing | 1.39Å | 1.33Å | |
| C35 | C34 | sing | 1.38Å | 1.40Å | Aromatic |
| C37 | C38 | doub | 1.38Å | 1.35Å | Aromatic |
| C34 | C33 | doub | 1.39Å | 1.44Å | Aromatic |
| C6 | N5 | sing | 1.37Å | 1.42Å | Aromatic |
| C3 | N12 | sing | 1.39Å | 1.40Å | |
| C3 | C4 | sing | 1.42Å | 1.42Å | Aromatic |
| C38 | C33 | sing | 1.40Å | 1.45Å | Aromatic |
| C38 | F39 | sing | 1.35Å | 1.37Å | |
| C33 | N32 | sing | 1.40Å | 1.42Å | |
| N32 | C30 | sing | 1.35Å | 1.38Å | |
| O31 | C30 | doub | 1.21Å | 1.22Å | |
| N5 | C4 | sing | 1.37Å | 1.35Å | Aromatic |
| N5 | C9 | sing | 1.37Å | 1.40Å | Aromatic |
| C4 | N7 | doub | 1.32Å | 1.31Å | Aromatic |
| C30 | C29 | sing | 1.51Å | 1.51Å | |
| C25 | N26 | sing | 1.35Å | 1.33Å | Aromatic |
| C25 | C10 | doub | 1.37Å | 1.39Å | Aromatic |
| C29 | N26 | sing | 1.47Å | 1.44Å | |
| C9 | C10 | sing | 1.48Å | 1.45Å | |
| C9 | C8 | doub | 1.37Å | 1.37Å | Aromatic |
| N7 | C8 | sing | 1.33Å | 1.34Å | Aromatic |
| N26 | N27 | sing | 1.40Å | 1.33Å | Aromatic |
| C10 | C28 | sing | 1.41Å | 1.37Å | Aromatic |
| N27 | C28 | doub | 1.31Å | 1.34Å | Aromatic |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H113 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| C40 | H403 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| N32 | H32 | sing | 0.97Å | 1.00Å | |
| N12 | H12 | sing | 0.97Å | 1.00Å | |
| N36 | H36 | sing | 0.97Å | 1.00Å | |
| N7 | H7 | sing | 0.97Å | 1.00Å | |
| N19 | H19 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C40 | C23 | C22 | 121.3° | 109.5° |
| C40 | C23 | C24 | 109.9° | 109.5° |
| C40 | C23 | H23 | 106.1° | 109.5° |
| C23 | C40 | H402 | 109.5° | 109.5° |
| C23 | C40 | H403 | 109.4° | 109.4° |
| C23 | C40 | H401 | 109.5° | 109.5° |
| C22 | C23 | C24 | 106.1° | 109.3° |
| C23 | C22 | C21 | 115.5° | 109.1° |
| C23 | C22 | H222 | 108.0° | 109.5° |
| C23 | C22 | H221 | 108.0° | 109.6° |
| C22 | C23 | H23 | 106.0° | 109.5° |
| C23 | C24 | N19 | 109.2° | 109.6° |
| C23 | C24 | H242 | 109.5° | 109.4° |
| C23 | C24 | H241 | 109.5° | 109.5° |
| C24 | C23 | H23 | 106.5° | 109.5° |
| C22 | C21 | C20 | 111.5° | 109.3° |
| C22 | C21 | H211 | 109.0° | 109.5° |
| C22 | C21 | H212 | 108.9° | 109.5° |
| C21 | C22 | H222 | 108.0° | 109.5° |
| C21 | C22 | H221 | 108.0° | 109.5° |
| C21 | C20 | N19 | 110.3° | 109.6° |
| C20 | C21 | H211 | 108.9° | 109.5° |
| C20 | C21 | H212 | 109.0° | 109.5° |
| C21 | C20 | H201 | 109.2° | 109.4° |
| C21 | C20 | H202 | 109.3° | 109.4° |
| C24 | N19 | C20 | 110.4° | 109.8° |
| C24 | N19 | C18 | 113.1° | 109.4° |
| N19 | C24 | H242 | 109.6° | 109.5° |
| N19 | C24 | H241 | 109.6° | 109.4° |
| C24 | N19 | H19 | 106.1° | 109.4° |
| C20 | N19 | C18 | 114.3° | 109.4° |
| N19 | C20 | H201 | 109.3° | 109.5° |
| N19 | C20 | H202 | 109.3° | 109.4° |
| C20 | N19 | H19 | 106.1° | 109.4° |
| N19 | C18 | C15 | 109.9° | 109.5° |
| N19 | C18 | H181 | 109.4° | 109.4° |
| N19 | C18 | H182 | 109.4° | 109.5° |
| C18 | N19 | H19 | 106.1° | 109.4° |
| S17 | N16 | C15 | 110.3° | 107.3° |
| N16 | S17 | C13 | 92.5° | 95.8° |
| N16 | C15 | C18 | 118.3° | 121.5° |
| N16 | C15 | C14 | 119.0° | 117.0° |
| S17 | C13 | C14 | 110.8° | 105.4° |
| S17 | C13 | N12 | 127.1° | 127.3° |
| C11 | C1 | N2 | 115.5° | 119.3° |
| C11 | C1 | C6 | 120.7° | 119.3° |
| C1 | C11 | H111 | 109.5° | 109.5° |
| C1 | C11 | H113 | 109.5° | 109.4° |
| C1 | C11 | H112 | 109.4° | 109.4° |
| C18 | C15 | C14 | 122.6° | 121.5° |
| C15 | C18 | H181 | 109.3° | 109.4° |
| C15 | C18 | H182 | 109.4° | 109.5° |
| C15 | C14 | C13 | 107.3° | 114.6° |
| C15 | C14 | H14 | 126.4° | 122.7° |
| N2 | C1 | C6 | 123.0° | 121.4° |
| C1 | N2 | C3 | 120.0° | 121.3° |
| C1 | C6 | N5 | 116.8° | 119.8° |
| C1 | C6 | H6 | 121.6° | 120.1° |
| N2 | C3 | N12 | 124.6° | 120.2° |
| N2 | C3 | C4 | 120.1° | 119.5° |
| C35 | N36 | C37 | 126.6° | 122.0° |
| N36 | C35 | C34 | 117.4° | 120.8° |
| N36 | C35 | H35 | 121.3° | 119.6° |
| C35 | N36 | H36 | 116.7° | 119.0° |
| N36 | C37 | C38 | 119.6° | 120.8° |
| N36 | C37 | H37 | 120.2° | 119.6° |
| C37 | N36 | H36 | 116.7° | 119.0° |
| C14 | C13 | N12 | 121.9° | 127.3° |
| C13 | C14 | H14 | 126.3° | 122.7° |
| C13 | N12 | C3 | 120.6° | 120.0° |
| C13 | N12 | H12 | 119.7° | 120.0° |
| C35 | C34 | C33 | 119.2° | 119.1° |
| C35 | C34 | H34 | 120.4° | 120.5° |
| C34 | C35 | H35 | 121.3° | 119.5° |
| C37 | C38 | C33 | 118.6° | 119.0° |
| C37 | C38 | F39 | 114.2° | 120.5° |
| C38 | C37 | H37 | 120.2° | 119.6° |
| C34 | C33 | C38 | 118.5° | 118.2° |
| C34 | C33 | N32 | 123.1° | 120.8° |
| C33 | C34 | H34 | 120.4° | 120.4° |
| C6 | N5 | C4 | 121.1° | 119.3° |
| C6 | N5 | C9 | 131.9° | 133.7° |
| N5 | C6 | H6 | 121.6° | 120.1° |
| N12 | C3 | C4 | 115.2° | 120.3° |
| C3 | N12 | H12 | 119.7° | 120.0° |
| C3 | C4 | N5 | 118.9° | 118.7° |
| C3 | C4 | N7 | 133.3° | 133.0° |
| C33 | C38 | F39 | 127.1° | 120.4° |
| C38 | C33 | N32 | 118.4° | 120.9° |
| C33 | N32 | C30 | 126.1° | 120.0° |
| C33 | N32 | H32 | 117.0° | 119.9° |
| N32 | C30 | O31 | 126.2° | 120.0° |
| N32 | C30 | C29 | 112.4° | 120.0° |
| C30 | N32 | H32 | 116.9° | 120.1° |
| O31 | C30 | C29 | 121.4° | 120.0° |
| C4 | N5 | C9 | 106.7° | 107.1° |
| N5 | C4 | N7 | 107.7° | 108.3° |
| N5 | C9 | C10 | 122.6° | 126.6° |
| N5 | C9 | C8 | 107.2° | 106.8° |
| C4 | N7 | C8 | 112.2° | 109.4° |
| C4 | N7 | H7 | 123.9° | 125.3° |
| C30 | C29 | N26 | 105.8° | 109.4° |
| C30 | C29 | H292 | 110.4° | 109.5° |
| C30 | C29 | H291 | 110.4° | 109.5° |
| N26 | C25 | C10 | 104.3° | 107.5° |
| C25 | N26 | C29 | 125.1° | 125.9° |
| C25 | N26 | N27 | 114.2° | 108.3° |
| N26 | C25 | H25 | 127.8° | 126.2° |
| C25 | C10 | C9 | 122.6° | 126.2° |
| C25 | C10 | C28 | 106.7° | 107.6° |
| C10 | C25 | H25 | 127.9° | 126.3° |
| C29 | N26 | N27 | 120.6° | 125.9° |
| N26 | C29 | H292 | 110.4° | 109.5° |
| N26 | C29 | H291 | 110.4° | 109.5° |
| C10 | C9 | C8 | 130.1° | 126.6° |
| C9 | C10 | C28 | 130.7° | 126.2° |
| C9 | C8 | N7 | 105.6° | 108.5° |
| C9 | C8 | H8 | 127.2° | 125.8° |
| N7 | C8 | H8 | 127.2° | 125.7° |
| C8 | N7 | H7 | 123.9° | 125.3° |
| N26 | N27 | C28 | 104.7° | 108.5° |
| C10 | C28 | N27 | 110.0° | 108.1° |
| C10 | C28 | H28 | 125.0° | 126.0° |
| N27 | C28 | H28 | 125.0° | 125.9° |
| H211 | C21 | H212 | 109.5° | 109.5° |
| H222 | C22 | H221 | 109.5° | 109.6° |
| H201 | C20 | H202 | 109.5° | 109.5° |
| H242 | C24 | H241 | 109.5° | 109.5° |
| H111 | C11 | H113 | 109.5° | 109.5° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H113 | C11 | H112 | 109.5° | 109.4° |
| H402 | C40 | H403 | 109.5° | 109.5° |
| H402 | C40 | H401 | 109.5° | 109.5° |
| H403 | C40 | H401 | 109.4° | 109.5° |
| H181 | C18 | H182 | 109.5° | 109.5° |
| H292 | C29 | H291 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C40 | C23 | C22 | C24 | 126.2° | 119.9° |
| C40 | C23 | C22 | H23 | 120.8° | 120.1° |
| C40 | C23 | C24 | H23 | 114.5° | 120.1° |
| C40 | C23 | C22 | C21 | 75.0° | 63.0° |
| C40 | C23 | C24 | N19 | 70.9° | 60.0° |
| C40 | C23 | C22 | H222 | 45.9° | 177.2° |
| C40 | C23 | C22 | H221 | 164.1° | 56.9° |
| C40 | C23 | C24 | H242 | 169.1° | 180.0° |
| C40 | C23 | C24 | H241 | 49.1° | 60.0° |
| C23 | C40 | H402 | H403 | 120.0° | 120.0° |
| C23 | C40 | H402 | H401 | 120.0° | 120.0° |
| C23 | C40 | H403 | H401 | 120.0° | 120.0° |
| C22 | C23 | C24 | H23 | 112.6° | 120.0° |
| C23 | C22 | C21 | H222 | 120.9° | 119.9° |
| C23 | C22 | C21 | H221 | 120.9° | 119.9° |
| C23 | C22 | C21 | C20 | 45.1° | 57.0° |
| C22 | C23 | C24 | N19 | 62.0° | 60.0° |
| C23 | C22 | C21 | H211 | 75.2° | 63.0° |
| C23 | C22 | C21 | H212 | 165.4° | 176.9° |
| C23 | C22 | H222 | H221 | 117.3° | 120.3° |
| C22 | C23 | C24 | H242 | 58.0° | 60.1° |
| C22 | C23 | C24 | H241 | 178.1° | 180.0° |
| C22 | C23 | C40 | H402 | 180.0° | 60.0° |
| C22 | C23 | C40 | H403 | 60.0° | 180.0° |
| C22 | C23 | C40 | H401 | 60.0° | 60.0° |
| C24 | C23 | C22 | C21 | 51.2° | 56.9° |
| C23 | C24 | N19 | H242 | 120.0° | 120.0° |
| C23 | C24 | N19 | H241 | 120.0° | 120.0° |
| C23 | C24 | N19 | C20 | 70.4° | 63.2° |
| C23 | C24 | N19 | C18 | 160.1° | 176.8° |
| C24 | C23 | C22 | H222 | 172.1° | 62.9° |
| C24 | C23 | C22 | H221 | 69.6° | 176.8° |
| C23 | C24 | H242 | H241 | 120.1° | 120.0° |
| C24 | C23 | C40 | H402 | 55.5° | 59.8° |
| C24 | C23 | C40 | H403 | 175.5° | 60.2° |
| C24 | C23 | C40 | H401 | 64.5° | 179.8° |
| C23 | C24 | N19 | H19 | 44.2° | 57.0° |
| C22 | C21 | C20 | H211 | 120.3° | 120.0° |
| C22 | C21 | C20 | H212 | 120.3° | 119.9° |
| C22 | C21 | C20 | N19 | 47.7° | 60.0° |
| C22 | C21 | H211 | H212 | 119.1° | 120.1° |
| C21 | C22 | H222 | H221 | 117.3° | 120.2° |
| C22 | C21 | C20 | H201 | 167.8° | 180.0° |
| C22 | C21 | C20 | H202 | 72.4° | 60.0° |
| C21 | C22 | C23 | H23 | 164.2° | 176.9° |
| C21 | C20 | N19 | C24 | 61.1° | 63.2° |
| C21 | C20 | N19 | H201 | 120.1° | 120.0° |
| C21 | C20 | N19 | H202 | 120.1° | 120.0° |
| C21 | C20 | N19 | C18 | 170.1° | 176.8° |
| C20 | C21 | H211 | H212 | 119.1° | 120.1° |
| C20 | C21 | C22 | H222 | 166.0° | 62.9° |
| C20 | C21 | C22 | H221 | 75.8° | 176.9° |
| C21 | C20 | H201 | H202 | 119.6° | 119.9° |
| C21 | C20 | N19 | H19 | 53.5° | 57.0° |
| C24 | N19 | C20 | C18 | 128.8° | 120.1° |
| C24 | N19 | C20 | H19 | 114.6° | 120.1° |
| C24 | N19 | C18 | H19 | 115.9° | 119.8° |
| C24 | N19 | C18 | C15 | 145.3° | 175.0° |
| C24 | N19 | C20 | H201 | 178.8° | 176.8° |
| C24 | N19 | C20 | H202 | 59.0° | 56.8° |
| N19 | C24 | H242 | H241 | 120.2° | 119.9° |
| N19 | C24 | C23 | H23 | 174.6° | 179.9° |
| C24 | N19 | C18 | H181 | 94.7° | 55.0° |
| C24 | N19 | C18 | H182 | 25.2° | 64.9° |
| C20 | N19 | C18 | H19 | 116.6° | 119.8° |
| C20 | N19 | C18 | C15 | 87.2° | 64.7° |
| N19 | C20 | C21 | H211 | 72.6° | 60.0° |
| N19 | C20 | C21 | H212 | 168.0° | 179.9° |
| N19 | C20 | H201 | H202 | 119.6° | 119.9° |
| C20 | N19 | C24 | H242 | 49.6° | 56.9° |
| C20 | N19 | C24 | H241 | 169.7° | 176.8° |
| C20 | N19 | C18 | H181 | 32.8° | 175.4° |
| C20 | N19 | C18 | H182 | 152.7° | 55.4° |
| N19 | C18 | C15 | N16 | 40.4° | 84.9° |
| N19 | C18 | C15 | H181 | 120.1° | 119.9° |
| N19 | C18 | C15 | H182 | 120.1° | 120.1° |
| N19 | C18 | C15 | C14 | 135.4° | 95.0° |
| C18 | N19 | C20 | H201 | 50.0° | 56.7° |
| C18 | N19 | C20 | H202 | 69.8° | 63.2° |
| C18 | N19 | C24 | H242 | 79.9° | 63.2° |
| C18 | N19 | C24 | H241 | 40.2° | 56.8° |
| N19 | C18 | H181 | H182 | 119.8° | 120.0° |
| S17 | N16 | C15 | C18 | 174.9° | 179.9° |
| S17 | N16 | C15 | C14 | 1.1° | 0.1° |
| N16 | S17 | C13 | C14 | 3.7° | 0.2° |
| N16 | S17 | C13 | N12 | 179.0° | 179.9° |
| C15 | N16 | S17 | C13 | 2.6° | 0.0° |
| N16 | C15 | C18 | C14 | 175.9° | 180.0° |
| N16 | C15 | C14 | C13 | 1.7° | 0.2° |
| N16 | C15 | C14 | H14 | 178.3° | 180.0° |
| N16 | C15 | C18 | H181 | 160.5° | 35.0° |
| N16 | C15 | C18 | H182 | 79.7° | 155.0° |
| S17 | C13 | C14 | C15 | 3.4° | 0.2° |
| S17 | C13 | C14 | N12 | 175.6° | 180.0° |
| S17 | C13 | N12 | C3 | 2.5° | 0.1° |
| S17 | C13 | C14 | H14 | 176.6° | 180.0° |
| S17 | C13 | N12 | H12 | 177.5° | 180.0° |
| C11 | C1 | N2 | C6 | 169.9° | 179.5° |
| C11 | C1 | N2 | C3 | 174.5° | 180.0° |
| C11 | C1 | C6 | N5 | 173.9° | 179.7° |
| C11 | C1 | C6 | H6 | 6.1° | 0.3° |
| C1 | C11 | H111 | H113 | 120.0° | 120.0° |
| C1 | C11 | H111 | H112 | 120.0° | 120.0° |
| C1 | C11 | H113 | H112 | 120.0° | 119.9° |
| C18 | C15 | C14 | C13 | 177.5° | 179.7° |
| C18 | C15 | C14 | H14 | 2.5° | 0.1° |
| C15 | C18 | H181 | H182 | 119.8° | 120.1° |
| C15 | C18 | N19 | H19 | 29.4° | 55.1° |
| C15 | C14 | C13 | H14 | 180.0° | 179.8° |
| C15 | C14 | C13 | N12 | 179.1° | 179.8° |
| C14 | C15 | C18 | H181 | 15.4° | 145.0° |
| C14 | C15 | C18 | H182 | 104.5° | 25.0° |
| N2 | C1 | C6 | N5 | 4.5° | 0.2° |
| C1 | N2 | C3 | N12 | 173.4° | 179.3° |
| C1 | N2 | C3 | C4 | 1.9° | 0.6° |
| N2 | C1 | C6 | H6 | 175.5° | 179.8° |
| N2 | C1 | C11 | H111 | 0.0° | 0.0° |
| N2 | C1 | C11 | H113 | 120.0° | 120.1° |
| N2 | C1 | C11 | H112 | 120.0° | 120.0° |
| C6 | C1 | N2 | C3 | 4.6° | 0.5° |
| C1 | C6 | N5 | H6 | 180.0° | 180.0° |
| C1 | C6 | N5 | C4 | 1.9° | 0.0° |
| C1 | C6 | N5 | C9 | 174.4° | 180.0° |
| C6 | C1 | C11 | H111 | 170.1° | 179.5° |
| C6 | C1 | C11 | H113 | 50.1° | 59.4° |
| C6 | C1 | C11 | H112 | 69.8° | 60.5° |
| N2 | C3 | N12 | C13 | 0.6° | 0.1° |
| N2 | C3 | N12 | C4 | 175.4° | 179.9° |
| N2 | C3 | C4 | N5 | 0.6° | 0.4° |
| N2 | C3 | C4 | N7 | 177.2° | 180.0° |
| N2 | C3 | N12 | H12 | 179.4° | 180.0° |
| C35 | N36 | C37 | H36 | 180.0° | 179.3° |
| N36 | C35 | C34 | H35 | 180.0° | 180.0° |
| C35 | N36 | C37 | C38 | 1.0° | 0.9° |
| N36 | C35 | C34 | C33 | 0.9° | 0.0° |
| N36 | C35 | C34 | H34 | 179.1° | 179.7° |
| C35 | N36 | C37 | H37 | 179.0° | 179.7° |
| C37 | N36 | C35 | C34 | 1.3° | 0.6° |
| N36 | C37 | C38 | H37 | 180.0° | 179.5° |
| N36 | C37 | C38 | C33 | 0.3° | 0.5° |
| N36 | C37 | C38 | F39 | 179.6° | 180.0° |
| C37 | N36 | C35 | H35 | 178.7° | 179.4° |
| C14 | C13 | N12 | C3 | 177.4° | 179.9° |
| C14 | C13 | N12 | H12 | 2.6° | 0.0° |
| C13 | N12 | C3 | H12 | 180.0° | 179.9° |
| C13 | N12 | C3 | C4 | 174.8° | 180.0° |
| N12 | C13 | C14 | H14 | 0.9° | 0.0° |
| C35 | C34 | C33 | H34 | 180.0° | 179.7° |
| C35 | C34 | C33 | C38 | 0.3° | 0.3° |
| C35 | C34 | C33 | N32 | 178.9° | 179.7° |
| C34 | C35 | N36 | H36 | 178.7° | 179.9° |
| C37 | C38 | C33 | C34 | 0.0° | 0.0° |
| C37 | C38 | C33 | F39 | 179.9° | 179.4° |
| C37 | C38 | C33 | N32 | 178.7° | 180.0° |
| C38 | C37 | N36 | H36 | 179.0° | 179.8° |
| C34 | C33 | C38 | N32 | 178.7° | 180.0° |
| C34 | C33 | C38 | F39 | 179.9° | 179.4° |
| C34 | C33 | N32 | C30 | 5.6° | 24.5° |
| C33 | C34 | C35 | H35 | 179.1° | 180.0° |
| C34 | C33 | N32 | H32 | 174.4° | 155.6° |
| C6 | N5 | C4 | C3 | 0.5° | 0.1° |
| C6 | N5 | C4 | C9 | 174.2° | 180.0° |
| C6 | N5 | C4 | N7 | 178.0° | 179.8° |
| C6 | N5 | C9 | C10 | 1.4° | 0.0° |
| C6 | N5 | C9 | C8 | 179.5° | 180.0° |
| N12 | C3 | C4 | N5 | 176.2° | 179.5° |
| N12 | C3 | C4 | N7 | 7.1° | 0.0° |
| C3 | C4 | N5 | N7 | 177.4° | 179.7° |
| C3 | C4 | N5 | C9 | 173.6° | 179.9° |
| C3 | C4 | N7 | C8 | 178.0° | 179.9° |
| C4 | C3 | N12 | H12 | 5.2° | 0.1° |
| C3 | C4 | N7 | H7 | 2.0° | 0.4° |
| C38 | C33 | N32 | C30 | 175.8° | 155.5° |
| C38 | C33 | C34 | H34 | 179.7° | 179.9° |
| C33 | C38 | C37 | H37 | 179.7° | 180.0° |
| C38 | C33 | N32 | H32 | 4.2° | 24.4° |
| F39 | C38 | C33 | N32 | 1.2° | 0.6° |
| F39 | C38 | C37 | H37 | 0.4° | 0.6° |
| C33 | N32 | C30 | H32 | 180.0° | 179.9° |
| C33 | N32 | C30 | O31 | 14.8° | 5.6° |
| C33 | N32 | C30 | C29 | 165.3° | 174.4° |
| N32 | C33 | C34 | H34 | 1.1° | 0.0° |
| N32 | C30 | O31 | C29 | 179.9° | 180.0° |
| N32 | C30 | C29 | N26 | 172.0° | 180.0° |
| N32 | C30 | C29 | H292 | 52.5° | 60.1° |
| N32 | C30 | C29 | H291 | 68.6° | 60.0° |
| O31 | C30 | C29 | N26 | 8.1° | 0.0° |
| O31 | C30 | C29 | H292 | 127.6° | 120.0° |
| O31 | C30 | C29 | H291 | 111.3° | 120.0° |
| O31 | C30 | N32 | H32 | 165.2° | 174.3° |
| C4 | N5 | C9 | C10 | 174.7° | 180.0° |
| C4 | N5 | C9 | C8 | 7.2° | 0.0° |
| N5 | C4 | N7 | C8 | 1.1° | 0.4° |
| C4 | N5 | C6 | H6 | 178.1° | 180.0° |
| N5 | C4 | N7 | H7 | 178.9° | 179.9° |
| C9 | N5 | C4 | N7 | 3.8° | 0.2° |
| N5 | C9 | C10 | C25 | 49.6° | 175.1° |
| N5 | C9 | C10 | C8 | 177.6° | 180.0° |
| N5 | C9 | C8 | N7 | 7.7° | 0.2° |
| N5 | C9 | C10 | C28 | 129.8° | 5.0° |
| N5 | C9 | C8 | H8 | 172.2° | 180.0° |
| C9 | N5 | C6 | H6 | 5.6° | 0.0° |
| C4 | N7 | C8 | C9 | 5.6° | 0.4° |
| C4 | N7 | C8 | H7 | 180.0° | 179.7° |
| C4 | N7 | C8 | H8 | 174.3° | 179.8° |
| C30 | C29 | N26 | C25 | 97.0° | 125.0° |
| C30 | C29 | N26 | H292 | 119.4° | 120.0° |
| C30 | C29 | N26 | H291 | 119.4° | 120.0° |
| C30 | C29 | N26 | N27 | 79.7° | 55.0° |
| C30 | C29 | H292 | H291 | 121.7° | 120.0° |
| C29 | C30 | N32 | H32 | 14.7° | 5.7° |
| N26 | C25 | C10 | H25 | 180.0° | 180.0° |
| C25 | N26 | C29 | N27 | 176.7° | 179.9° |
| N26 | C25 | C10 | C9 | 178.5° | 179.9° |
| N26 | C25 | C10 | C28 | 1.1° | 0.2° |
| C25 | N26 | N27 | C28 | 1.0° | 0.2° |
| C25 | N26 | C29 | H292 | 143.6° | 5.0° |
| C25 | N26 | C29 | H291 | 22.4° | 115.0° |
| C10 | C25 | N26 | C29 | 176.8° | 179.9° |
| C25 | C10 | C9 | C28 | 179.5° | 179.9° |
| C25 | C10 | C9 | C8 | 132.8° | 4.9° |
| C10 | C25 | N26 | N27 | 0.1° | 0.0° |
| C25 | C10 | C28 | N27 | 1.8° | 0.3° |
| C25 | C10 | C28 | H28 | 178.2° | 180.0° |
| C29 | N26 | N27 | C28 | 178.1° | 179.9° |
| C29 | N26 | C25 | H25 | 3.2° | 0.1° |
| N26 | C29 | H292 | H291 | 121.7° | 120.0° |
| C10 | C9 | C8 | N7 | 174.4° | 179.8° |
| C9 | C10 | C28 | N27 | 177.7° | 179.8° |
| C9 | C10 | C28 | H28 | 2.3° | 0.1° |
| C9 | C10 | C25 | H25 | 1.6° | 0.2° |
| C10 | C9 | C8 | H8 | 5.6° | 0.0° |
| C9 | C8 | N7 | H8 | 180.0° | 179.8° |
| C8 | C9 | C10 | C28 | 47.8° | 175.0° |
| C9 | C8 | N7 | H7 | 174.3° | 179.9° |
| N26 | N27 | C28 | C10 | 1.7° | 0.3° |
| N26 | N27 | C28 | H28 | 178.3° | 180.0° |
| N27 | N26 | C25 | H25 | 179.9° | 180.0° |
| N27 | N26 | C29 | H292 | 39.8° | 174.9° |
| N27 | N26 | C29 | H291 | 160.9° | 65.1° |
| C10 | C28 | N27 | H28 | 180.0° | 179.7° |
| C28 | C10 | C25 | H25 | 178.9° | 179.8° |
| H34 | C34 | C35 | H35 | 0.9° | 0.3° |
| H35 | C35 | N36 | H36 | 1.3° | 0.1° |
| H37 | C37 | N36 | H36 | 1.1° | 0.4° |
| H8 | C8 | N7 | H7 | 5.7° | 0.1° |
| H211 | C21 | C22 | H222 | 45.6° | 177.1° |
| H211 | C21 | C22 | H221 | 163.9° | 56.9° |
| H211 | C21 | C20 | H201 | 47.5° | 60.0° |
| H211 | C21 | C20 | H202 | 167.2° | 180.0° |
| H212 | C21 | C22 | H222 | 73.7° | 57.0° |
| H212 | C21 | C22 | H221 | 44.5° | 63.2° |
| H212 | C21 | C20 | H201 | 71.9° | 60.0° |
| H212 | C21 | C20 | H202 | 47.9° | 59.9° |
| H222 | C22 | C23 | H23 | 74.9° | 57.0° |
| H221 | C22 | C23 | H23 | 43.3° | 63.2° |
| H201 | C20 | N19 | H19 | 66.6° | 63.0° |
| H202 | C20 | N19 | H19 | 173.6° | 177.0° |
| H242 | C24 | C23 | H23 | 54.6° | 59.9° |
| H242 | C24 | N19 | H19 | 164.2° | 177.0° |
| H241 | C24 | C23 | H23 | 65.5° | 60.1° |
| H241 | C24 | N19 | H19 | 75.8° | 63.0° |
| H23 | C23 | C40 | H402 | 59.2° | 179.9° |
| H23 | C23 | C40 | H403 | 60.8° | 59.9° |
| H23 | C23 | C40 | H401 | 179.3° | 60.1° |
| H111 | C11 | H113 | H112 | 120.0° | 120.0° |
| H402 | C40 | H403 | H401 | 120.0° | 120.0° |
| H181 | C18 | N19 | H19 | 149.4° | 64.8° |
| H182 | C18 | N19 | H19 | 90.7° | 175.2° |
