PZ1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.43Å | 1.41Å | |
| C1 | H1C1 | sing | 1.09Å | 1.10Å | |
| C1 | H1C2 | sing | 1.09Å | 1.10Å | |
| C1 | H1C3 | sing | 1.09Å | 1.10Å | |
| O1 | C2 | sing | 1.36Å | 1.40Å | |
| C2 | C3 | sing | 1.39Å | 1.45Å | Aromatic |
| C2 | C5 | doub | 1.39Å | 1.43Å | Aromatic |
| C3 | C4 | sing | 1.51Å | 1.53Å | |
| C3 | C8 | doub | 1.38Å | 1.44Å | Aromatic |
| C4 | O2 | sing | 1.43Å | 1.42Å | |
| C4 | H4C1 | sing | 1.09Å | 1.10Å | |
| C4 | H4C2 | sing | 1.09Å | 1.10Å | |
| O2 | C33 | sing | 1.43Å | 1.46Å | |
| C5 | C6 | sing | 1.38Å | 1.44Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | C7 | doub | 1.38Å | 1.43Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | C8 | sing | 1.38Å | 1.43Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C20 | C21 | sing | 1.53Å | 1.54Å | |
| C20 | N3 | sing | 1.46Å | 1.56Å | |
| C20 | C24 | sing | 1.53Å | 1.56Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | N2 | sing | 1.47Å | 1.45Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| N2 | C22 | sing | 1.47Å | 1.47Å | |
| N2 | H2 | sing | 1.01Å | 1.00Å | |
| C22 | C23 | sing | 1.50Å | 1.55Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C23 | N3 | sing | 1.34Å | 1.41Å | |
| C23 | O5 | doub | 1.21Å | 1.22Å | |
| N3 | C26 | sing | 1.40Å | 1.41Å | |
| C24 | O6 | sing | 1.43Å | 1.42Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| O6 | C14 | sing | 1.36Å | 1.38Å | |
| C25 | C26 | sing | 1.39Å | 1.45Å | Aromatic |
| C25 | C30 | doub | 1.38Å | 1.42Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | C27 | doub | 1.39Å | 1.46Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.44Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | C29 | doub | 1.39Å | 1.46Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | C30 | sing | 1.39Å | 1.42Å | Aromatic |
| C29 | O7 | sing | 1.36Å | 1.40Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| O7 | C31 | sing | 1.43Å | 1.41Å | |
| C31 | C32 | sing | 1.53Å | 1.55Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C32 | C33 | sing | 1.53Å | 1.55Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C34 | C19 | sing | 1.53Å | 1.57Å | |
| C34 | O3 | sing | 1.43Å | 1.57Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C9 | C10 | doub | 1.35Å | 1.43Å | |
| C9 | C14 | sing | 1.46Å | 1.44Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | C11 | sing | 1.41Å | 1.45Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | C12 | sing | 1.50Å | 1.46Å | |
| C11 | C15 | doub | 1.35Å | 1.52Å | |
| C12 | C13 | sing | 1.49Å | 1.44Å | |
| C12 | N1 | sing | 1.47Å | 1.45Å | |
| C12 | H112 | sing | 1.09Å | 1.12Å | |
| C13 | C14 | doub | 1.34Å | 1.43Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | C16 | sing | 1.41Å | 1.56Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | C17 | doub | 1.35Å | 1.56Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | N1 | sing | 1.39Å | 1.49Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| N1 | C18 | sing | 1.46Å | 1.51Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| O3 | H3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | H1C1 | 109.4° | 109.5° |
| O1 | C1 | H1C2 | 109.5° | 109.5° |
| O1 | C1 | H1C3 | 109.5° | 109.4° |
| C1 | O1 | C2 | 112.8° | 106.8° |
| H1C1 | C1 | H1C2 | 109.5° | 109.5° |
| H1C1 | C1 | H1C3 | 109.5° | 109.5° |
| H1C2 | C1 | H1C3 | 109.5° | 109.4° |
| O1 | C2 | C3 | 121.1° | 120.1° |
| O1 | C2 | C5 | 118.4° | 120.0° |
| C3 | C2 | C5 | 120.5° | 119.8° |
| C2 | C3 | C4 | 118.9° | 120.0° |
| C2 | C3 | C8 | 118.4° | 120.0° |
| C2 | C5 | C6 | 120.2° | 120.0° |
| C2 | C5 | H5 | 119.9° | 120.0° |
| C4 | C3 | C8 | 122.7° | 120.0° |
| C3 | C4 | O2 | 116.6° | 109.5° |
| C3 | C4 | H4C1 | 105.5° | 109.5° |
| C3 | C4 | H4C2 | 107.2° | 109.5° |
| C3 | C8 | C7 | 121.1° | 120.0° |
| C3 | C8 | H8 | 119.4° | 120.0° |
| O2 | C4 | H4C1 | 105.5° | 109.5° |
| O2 | C4 | H4C2 | 107.2° | 109.5° |
| C4 | O2 | C33 | 116.7° | 106.8° |
| H4C1 | C4 | H4C2 | 115.2° | 109.5° |
| O2 | C33 | C32 | 120.0° | 109.5° |
| O2 | C33 | H331 | 103.7° | 109.4° |
| O2 | C33 | H332 | 106.1° | 109.5° |
| C6 | C5 | H5 | 119.9° | 120.0° |
| C5 | C6 | C7 | 119.6° | 120.0° |
| C5 | C6 | H6 | 120.2° | 120.0° |
| C7 | C6 | H6 | 120.2° | 120.0° |
| C6 | C7 | C8 | 120.1° | 120.2° |
| C6 | C7 | H7 | 119.9° | 119.9° |
| C8 | C7 | H7 | 119.9° | 120.0° |
| C7 | C8 | H8 | 119.4° | 120.0° |
| C21 | C20 | N3 | 116.0° | 109.6° |
| C21 | C20 | C24 | 103.2° | 109.4° |
| C21 | C20 | H20 | 111.4° | 109.4° |
| C20 | C21 | N2 | 114.3° | 108.9° |
| C20 | C21 | H211 | 106.8° | 109.6° |
| C20 | C21 | H212 | 107.9° | 109.6° |
| N3 | C20 | C24 | 114.5° | 109.5° |
| N3 | C20 | H20 | 99.2° | 109.4° |
| C20 | N3 | C23 | 123.2° | 122.0° |
| C20 | N3 | C26 | 119.6° | 119.0° |
| C24 | C20 | H20 | 112.9° | 109.5° |
| C20 | C24 | O6 | 108.1° | 109.5° |
| C20 | C24 | H241 | 110.2° | 109.4° |
| C20 | C24 | H242 | 109.9° | 109.4° |
| N2 | C21 | H211 | 106.8° | 109.6° |
| N2 | C21 | H212 | 107.9° | 109.5° |
| C21 | N2 | C22 | 125.2° | 106.6° |
| C21 | N2 | H2 | 104.5° | 106.7° |
| H211 | C21 | H212 | 113.3° | 109.7° |
| C22 | N2 | H2 | 104.5° | 106.8° |
| N2 | C22 | C23 | 116.3° | 110.5° |
| N2 | C22 | H221 | 105.7° | 109.3° |
| N2 | C22 | H222 | 107.3° | 109.3° |
| C23 | C22 | H221 | 105.7° | 109.5° |
| C23 | C22 | H222 | 107.3° | 109.1° |
| C22 | C23 | N3 | 118.9° | 122.5° |
| C22 | C23 | O5 | 117.0° | 118.7° |
| H221 | C22 | H222 | 115.0° | 109.1° |
| N3 | C23 | O5 | 124.1° | 118.7° |
| C23 | N3 | C26 | 117.2° | 119.0° |
| N3 | C26 | C25 | 122.8° | 120.0° |
| N3 | C26 | C27 | 118.6° | 120.0° |
| O6 | C24 | H241 | 110.2° | 109.5° |
| O6 | C24 | H242 | 109.9° | 109.5° |
| C24 | O6 | C14 | 116.1° | 106.8° |
| H241 | C24 | H242 | 108.4° | 109.5° |
| O6 | C14 | C9 | 119.9° | 119.5° |
| O6 | C14 | C13 | 120.3° | 119.6° |
| C26 | C25 | C30 | 121.6° | 119.9° |
| C26 | C25 | H25 | 119.2° | 120.0° |
| C25 | C26 | C27 | 118.6° | 120.0° |
| C30 | C25 | H25 | 119.2° | 120.0° |
| C25 | C30 | C29 | 120.6° | 120.1° |
| C25 | C30 | H30 | 119.7° | 120.0° |
| C26 | C27 | C28 | 119.5° | 120.0° |
| C26 | C27 | H27 | 120.2° | 120.0° |
| C28 | C27 | H27 | 120.3° | 120.0° |
| C27 | C28 | C29 | 120.6° | 120.0° |
| C27 | C28 | H28 | 119.7° | 120.0° |
| C29 | C28 | H28 | 119.7° | 120.0° |
| C28 | C29 | C30 | 119.2° | 120.0° |
| C28 | C29 | O7 | 123.6° | 120.0° |
| C30 | C29 | O7 | 117.2° | 120.0° |
| C29 | C30 | H30 | 119.7° | 120.0° |
| C29 | O7 | C31 | 120.9° | 106.8° |
| O7 | C31 | C32 | 108.3° | 109.5° |
| O7 | C31 | H311 | 110.1° | 109.5° |
| O7 | C31 | H312 | 109.9° | 109.5° |
| C32 | C31 | H311 | 110.1° | 109.5° |
| C32 | C31 | H312 | 109.9° | 109.5° |
| C31 | C32 | C33 | 112.7° | 109.5° |
| C31 | C32 | H321 | 107.7° | 109.5° |
| C31 | C32 | H322 | 108.4° | 109.5° |
| H311 | C31 | H312 | 108.6° | 109.5° |
| C33 | C32 | H321 | 107.7° | 109.4° |
| C33 | C32 | H322 | 108.4° | 109.5° |
| C32 | C33 | H331 | 103.7° | 109.5° |
| C32 | C33 | H332 | 106.1° | 109.5° |
| H321 | C32 | H322 | 112.0° | 109.5° |
| H331 | C33 | H332 | 118.1° | 109.5° |
| C19 | C34 | O3 | 147.4° | 109.5° |
| C19 | C34 | H341 | 90.8° | 109.5° |
| C19 | C34 | H342 | 98.3° | 109.5° |
| C34 | C19 | C18 | 140.5° | 109.5° |
| C34 | C19 | H191 | 93.4° | 109.5° |
| C34 | C19 | H192 | 100.2° | 109.5° |
| O3 | C34 | H341 | 90.9° | 109.5° |
| O3 | C34 | H342 | 98.3° | 109.5° |
| C34 | O3 | H3 | 109.5° | 106.8° |
| H341 | C34 | H342 | 145.9° | 109.5° |
| C10 | C9 | C14 | 119.0° | 119.9° |
| C10 | C9 | H9 | 120.5° | 119.9° |
| C9 | C10 | C11 | 120.9° | 120.6° |
| C9 | C10 | H10 | 119.5° | 119.5° |
| C14 | C9 | H9 | 120.5° | 120.2° |
| C9 | C14 | C13 | 119.9° | 120.9° |
| C11 | C10 | H10 | 119.5° | 119.9° |
| C10 | C11 | C12 | 120.6° | 120.4° |
| C10 | C11 | C15 | 117.6° | 120.4° |
| C12 | C11 | C15 | 121.9° | 119.2° |
| C11 | C12 | C13 | 116.7° | 111.7° |
| C11 | C12 | N1 | 122.3° | 108.4° |
| C11 | C12 | H112 | 108.7° | 108.3° |
| C11 | C15 | C16 | 116.7° | 119.9° |
| C11 | C15 | H15 | 121.6° | 120.1° |
| C13 | C12 | N1 | 121.0° | 111.6° |
| C13 | C12 | H112 | 134.6° | 108.4° |
| C12 | C13 | C14 | 123.0° | 122.2° |
| C12 | C13 | H13 | 118.5° | 118.9° |
| N1 | C12 | H112 | 13.6° | 108.2° |
| C12 | N1 | C17 | 121.2° | 117.4° |
| C12 | N1 | C18 | 121.2° | 121.3° |
| C14 | C13 | H13 | 118.5° | 118.9° |
| C16 | C15 | H15 | 121.7° | 120.0° |
| C15 | C16 | C17 | 119.4° | 120.5° |
| C15 | C16 | H16 | 120.3° | 119.8° |
| C17 | C16 | H16 | 120.3° | 119.7° |
| C16 | C17 | N1 | 118.5° | 118.9° |
| C16 | C17 | H17 | 120.8° | 120.5° |
| N1 | C17 | H17 | 120.7° | 120.6° |
| C17 | N1 | C18 | 117.6° | 121.3° |
| N1 | C18 | C19 | 116.9° | 109.5° |
| N1 | C18 | H181 | 105.3° | 109.5° |
| N1 | C18 | H182 | 107.1° | 109.4° |
| C19 | C18 | H181 | 105.4° | 109.5° |
| C19 | C18 | H182 | 107.1° | 109.4° |
| C18 | C19 | H191 | 93.4° | 109.5° |
| C18 | C19 | H192 | 100.2° | 109.5° |
| H181 | C18 | H182 | 115.5° | 109.4° |
| H191 | C19 | H192 | 138.3° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | H1C1 | H1C2 | 120.0° | 120.0° |
| O1 | C1 | H1C1 | H1C3 | 120.0° | 120.0° |
| O1 | C1 | H1C2 | H1C3 | 120.0° | 120.0° |
| C1 | O1 | C2 | C3 | 87.2° | 179.7° |
| C1 | O1 | C2 | C5 | 92.9° | 0.0° |
| H1C1 | C1 | H1C2 | H1C3 | 120.0° | 120.0° |
| H1C1 | C1 | O1 | C2 | 64.7° | 60.0° |
| H1C2 | C1 | O1 | C2 | 55.3° | 60.0° |
| H1C3 | C1 | O1 | C2 | 175.3° | 180.0° |
| O1 | C2 | C3 | C5 | 179.9° | 179.7° |
| O1 | C2 | C3 | C4 | 0.1° | 0.3° |
| O1 | C2 | C3 | C8 | 180.0° | 179.7° |
| O1 | C2 | C5 | C6 | 180.0° | 180.0° |
| O1 | C2 | C5 | H5 | 0.0° | 0.1° |
| C2 | C3 | C4 | C8 | 179.9° | 179.3° |
| C2 | C3 | C4 | O2 | 179.8° | 179.3° |
| C2 | C3 | C4 | H4C1 | 63.1° | 60.6° |
| C2 | C3 | C4 | H4C2 | 60.2° | 59.3° |
| C3 | C2 | C5 | C6 | 0.1° | 0.3° |
| C3 | C2 | C5 | H5 | 179.9° | 179.7° |
| C2 | C3 | C8 | C7 | 0.1° | 0.7° |
| C2 | C3 | C8 | H8 | 179.9° | 179.6° |
| C5 | C2 | C3 | C4 | 180.0° | 180.0° |
| C5 | C2 | C3 | C8 | 0.1° | 0.7° |
| C2 | C5 | C6 | H5 | 180.0° | 179.9° |
| C2 | C5 | C6 | C7 | 0.1° | 0.0° |
| C2 | C5 | C6 | H6 | 180.0° | 179.9° |
| C3 | C4 | O2 | H4C1 | 116.7° | 120.0° |
| C3 | C4 | O2 | H4C2 | 120.0° | 120.0° |
| C3 | C4 | H4C1 | H4C2 | 118.0° | 120.0° |
| C3 | C4 | O2 | C33 | 179.3° | 180.0° |
| C4 | C3 | C8 | C7 | 180.0° | 180.0° |
| C4 | C3 | C8 | H8 | 0.0° | 0.3° |
| C8 | C3 | C4 | O2 | 0.3° | 0.0° |
| C8 | C3 | C4 | H4C1 | 117.0° | 120.0° |
| C8 | C3 | C4 | H4C2 | 119.7° | 120.0° |
| C3 | C8 | C7 | C6 | 0.1° | 0.3° |
| C3 | C8 | C7 | H8 | 180.0° | 179.7° |
| C3 | C8 | C7 | H7 | 179.9° | 179.7° |
| O2 | C4 | H4C1 | H4C2 | 118.0° | 120.0° |
| C4 | O2 | C33 | C32 | 67.8° | 179.9° |
| C4 | O2 | C33 | H331 | 47.0° | 60.0° |
| C4 | O2 | C33 | H332 | 172.1° | 60.0° |
| H4C1 | C4 | O2 | C33 | 64.0° | 60.0° |
| H4C2 | C4 | O2 | C33 | 59.3° | 60.0° |
| O2 | C33 | C32 | C31 | 116.1° | 180.0° |
| O2 | C33 | C32 | H331 | 114.9° | 119.9° |
| O2 | C33 | C32 | H332 | 120.0° | 120.0° |
| O2 | C33 | C32 | H321 | 2.6° | 60.0° |
| O2 | C33 | C32 | H322 | 123.9° | 60.0° |
| O2 | C33 | H331 | H332 | 117.0° | 120.0° |
| C5 | C6 | C7 | H6 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 0.1° | 0.1° |
| C5 | C6 | C7 | H7 | 179.9° | 180.0° |
| H5 | C5 | C6 | C7 | 179.9° | 179.9° |
| H5 | C5 | C6 | H6 | 0.1° | 0.0° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | H8 | 179.9° | 180.0° |
| H6 | C6 | C7 | C8 | 179.9° | 180.0° |
| H6 | C6 | C7 | H7 | 0.1° | 0.1° |
| H7 | C7 | C8 | H8 | 0.1° | 0.0° |
| C21 | C20 | N3 | C24 | 120.2° | 120.0° |
| C21 | C20 | N3 | H20 | 119.3° | 120.0° |
| C21 | C20 | C24 | H20 | 120.4° | 119.9° |
| C20 | C21 | N2 | H211 | 117.8° | 119.8° |
| C20 | C21 | N2 | H212 | 120.0° | 119.8° |
| C20 | C21 | H211 | H212 | 118.7° | 120.3° |
| C20 | C21 | N2 | C22 | 29.6° | 72.5° |
| C20 | C21 | N2 | H2 | 90.4° | 173.7° |
| C21 | C20 | N3 | C23 | 12.8° | 16.1° |
| C21 | C20 | N3 | C26 | 167.5° | 163.7° |
| C21 | C20 | C24 | O6 | 151.1° | 57.0° |
| C21 | C20 | C24 | H241 | 30.6° | 177.0° |
| C21 | C20 | C24 | H242 | 88.9° | 63.0° |
| N3 | C20 | C24 | H20 | 112.6° | 119.9° |
| N3 | C20 | C21 | N2 | 26.0° | 52.0° |
| N3 | C20 | C21 | H211 | 91.9° | 171.8° |
| N3 | C20 | C21 | H212 | 146.0° | 67.8° |
| C20 | N3 | C23 | C22 | 0.3° | 0.1° |
| C20 | N3 | C23 | C26 | 179.7° | 179.7° |
| C20 | N3 | C23 | O5 | 179.8° | 179.5° |
| N3 | C20 | C24 | O6 | 81.9° | 177.1° |
| N3 | C20 | C24 | H241 | 157.6° | 62.9° |
| N3 | C20 | C24 | H242 | 38.1° | 57.1° |
| C20 | N3 | C26 | C25 | 94.2° | 113.4° |
| C20 | N3 | C26 | C27 | 85.5° | 66.7° |
| C24 | C20 | C21 | N2 | 152.1° | 172.0° |
| C24 | C20 | C21 | H211 | 34.2° | 68.1° |
| C24 | C20 | C21 | H212 | 87.9° | 52.2° |
| C24 | C20 | N3 | C23 | 132.9° | 136.1° |
| C24 | C20 | N3 | C26 | 47.4° | 43.6° |
| C20 | C24 | O6 | H241 | 120.5° | 120.0° |
| C20 | C24 | O6 | H242 | 120.0° | 120.0° |
| C20 | C24 | H241 | H242 | 120.4° | 119.9° |
| C20 | C24 | O6 | C14 | 180.0° | 178.3° |
| H20 | C20 | C21 | N2 | 86.5° | 68.0° |
| H20 | C20 | C21 | H211 | 155.6° | 51.8° |
| H20 | C20 | C21 | H212 | 33.5° | 172.1° |
| H20 | C20 | N3 | C23 | 106.6° | 103.9° |
| H20 | C20 | N3 | C26 | 73.1° | 76.3° |
| H20 | C20 | C24 | O6 | 30.7° | 62.9° |
| H20 | C20 | C24 | H241 | 89.8° | 57.1° |
| H20 | C20 | C24 | H242 | 150.7° | 177.0° |
| N2 | C21 | H211 | H212 | 118.6° | 120.3° |
| C21 | N2 | C22 | H2 | 120.0° | 113.8° |
| C21 | N2 | C22 | C23 | 16.7° | 53.8° |
| C21 | N2 | C22 | H221 | 100.1° | 174.4° |
| C21 | N2 | C22 | H222 | 136.7° | 66.3° |
| H211 | C21 | N2 | C22 | 88.2° | 167.6° |
| H211 | C21 | N2 | H2 | 151.8° | 53.8° |
| H212 | C21 | N2 | C22 | 149.7° | 47.3° |
| H212 | C21 | N2 | H2 | 29.7° | 66.5° |
| N2 | C22 | C23 | H221 | 116.9° | 120.5° |
| N2 | C22 | C23 | H222 | 120.0° | 120.2° |
| N2 | C22 | H221 | H222 | 118.1° | 119.4° |
| N2 | C22 | C23 | N3 | 0.5° | 19.2° |
| N2 | C22 | C23 | O5 | 179.4° | 160.4° |
| H2 | N2 | C22 | C23 | 103.3° | 167.5° |
| H2 | N2 | C22 | H221 | 139.9° | 71.9° |
| H2 | N2 | C22 | H222 | 16.7° | 47.4° |
| C23 | C22 | H221 | H222 | 118.1° | 119.4° |
| C22 | C23 | N3 | O5 | 179.9° | 179.6° |
| C22 | C23 | N3 | C26 | 179.4° | 179.7° |
| H221 | C22 | C23 | N3 | 116.4° | 139.7° |
| H221 | C22 | C23 | O5 | 63.7° | 39.9° |
| H222 | C22 | C23 | N3 | 120.5° | 100.9° |
| H222 | C22 | C23 | O5 | 59.4° | 79.5° |
| C23 | N3 | C26 | C25 | 86.1° | 66.3° |
| C23 | N3 | C26 | C27 | 94.2° | 113.6° |
| O5 | C23 | N3 | C26 | 0.5° | 0.8° |
| N3 | C26 | C25 | C27 | 179.7° | 179.9° |
| N3 | C26 | C25 | C30 | 179.3° | 179.8° |
| N3 | C26 | C25 | H25 | 0.8° | 0.0° |
| N3 | C26 | C27 | C28 | 179.3° | 180.0° |
| N3 | C26 | C27 | H27 | 0.7° | 0.0° |
| O6 | C24 | H241 | H242 | 120.4° | 120.1° |
| C24 | O6 | C14 | C9 | 114.8° | 178.3° |
| C24 | O6 | C14 | C13 | 65.4° | 1.9° |
| H241 | C24 | O6 | C14 | 59.4° | 58.4° |
| H242 | C24 | O6 | C14 | 60.0° | 61.7° |
| O6 | C14 | C9 | C10 | 179.9° | 170.9° |
| O6 | C14 | C9 | C13 | 179.8° | 179.7° |
| O6 | C14 | C9 | H9 | 0.1° | 9.1° |
| O6 | C14 | C13 | C12 | 179.9° | 179.6° |
| O6 | C14 | C13 | H13 | 0.2° | 0.3° |
| C26 | C25 | C30 | H25 | 180.0° | 179.8° |
| C25 | C26 | C27 | C28 | 0.4° | 0.0° |
| C25 | C26 | C27 | H27 | 179.5° | 180.0° |
| C26 | C25 | C30 | C29 | 0.1° | 0.4° |
| C26 | C25 | C30 | H30 | 179.9° | 180.0° |
| C30 | C25 | C26 | C27 | 0.5° | 0.2° |
| C25 | C30 | C29 | C28 | 0.2° | 0.4° |
| C25 | C30 | C29 | H30 | 180.0° | 179.6° |
| C25 | C30 | C29 | O7 | 178.6° | 179.8° |
| H25 | C25 | C26 | C27 | 179.5° | 180.0° |
| H25 | C25 | C30 | C29 | 179.9° | 179.8° |
| H25 | C25 | C30 | H30 | 0.2° | 0.1° |
| C26 | C27 | C28 | H27 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 0.1° | 0.0° |
| C26 | C27 | C28 | H28 | 179.9° | 180.0° |
| C27 | C28 | C29 | H28 | 180.0° | 179.9° |
| C27 | C28 | C29 | C30 | 0.2° | 0.3° |
| C27 | C28 | C29 | O7 | 178.5° | 180.0° |
| H27 | C27 | C28 | C29 | 179.9° | 180.0° |
| H27 | C27 | C28 | H28 | 0.1° | 0.0° |
| C28 | C29 | C30 | O7 | 178.8° | 179.8° |
| C28 | C29 | C30 | H30 | 179.8° | 179.9° |
| C28 | C29 | O7 | C31 | 47.4° | 174.5° |
| H28 | C28 | C29 | C30 | 179.8° | 179.8° |
| H28 | C28 | C29 | O7 | 1.5° | 0.1° |
| C30 | C29 | O7 | C31 | 133.9° | 5.2° |
| O7 | C29 | C30 | H30 | 1.4° | 0.2° |
| C29 | O7 | C31 | C32 | 178.3° | 175.4° |
| C29 | O7 | C31 | H311 | 61.2° | 55.4° |
| C29 | O7 | C31 | H312 | 58.3° | 64.7° |
| O7 | C31 | C32 | H311 | 120.5° | 120.0° |
| O7 | C31 | C32 | H312 | 120.0° | 120.0° |
| O7 | C31 | H311 | H312 | 120.3° | 120.0° |
| O7 | C31 | C32 | C33 | 101.4° | 180.0° |
| O7 | C31 | C32 | H321 | 17.2° | 60.0° |
| O7 | C31 | C32 | H322 | 138.5° | 60.0° |
| C32 | C31 | H311 | H312 | 120.3° | 120.0° |
| C31 | C32 | C33 | H321 | 118.6° | 120.0° |
| C31 | C32 | C33 | H322 | 120.0° | 120.0° |
| C31 | C32 | H321 | H322 | 119.1° | 120.1° |
| C31 | C32 | C33 | H331 | 1.2° | 60.1° |
| C31 | C32 | C33 | H332 | 123.9° | 60.0° |
| H311 | C31 | C32 | C33 | 138.1° | 60.0° |
| H311 | C31 | C32 | H321 | 103.3° | 180.0° |
| H311 | C31 | C32 | H322 | 18.1° | 60.0° |
| H312 | C31 | C32 | C33 | 18.6° | 60.0° |
| H312 | C31 | C32 | H321 | 137.2° | 60.0° |
| H312 | C31 | C32 | H322 | 101.4° | 180.0° |
| C33 | C32 | H321 | H322 | 119.1° | 120.0° |
| C32 | C33 | H331 | H332 | 117.0° | 120.1° |
| H321 | C32 | C33 | H331 | 117.5° | 179.9° |
| H321 | C32 | C33 | H332 | 117.4° | 60.0° |
| H322 | C32 | C33 | H331 | 121.2° | 60.0° |
| H322 | C32 | C33 | H332 | 3.9° | 180.0° |
| C19 | C34 | O3 | H341 | 92.9° | 120.0° |
| C19 | C34 | O3 | H342 | 120.0° | 120.0° |
| C19 | C34 | H341 | H342 | 106.2° | 120.0° |
| C34 | C19 | C18 | N1 | 179.7° | 175.0° |
| C34 | C19 | C18 | H191 | 99.6° | 120.0° |
| C34 | C19 | C18 | H192 | 120.0° | 120.1° |
| C34 | C19 | C18 | H181 | 63.2° | 64.9° |
| C34 | C19 | C18 | H182 | 60.2° | 55.1° |
| C34 | C19 | H191 | H192 | 109.5° | 120.0° |
| C19 | C34 | O3 | H3 | 160.4° | 175.0° |
| O3 | C34 | H341 | H342 | 106.3° | 120.0° |
| O3 | C34 | C19 | C18 | 132.7° | 175.0° |
| O3 | C34 | C19 | H191 | 127.7° | 64.9° |
| O3 | C34 | C19 | H192 | 12.8° | 55.0° |
| H341 | C34 | C19 | C18 | 134.4° | 55.1° |
| H341 | C34 | C19 | H191 | 34.8° | 175.1° |
| H341 | C34 | C19 | H192 | 105.7° | 65.0° |
| H341 | C34 | O3 | H3 | 106.7° | 65.0° |
| H342 | C34 | C19 | C18 | 12.7° | 65.0° |
| H342 | C34 | C19 | H191 | 112.3° | 55.1° |
| H342 | C34 | C19 | H192 | 107.2° | 175.0° |
| H342 | C34 | O3 | H3 | 40.4° | 55.0° |
| C10 | C9 | C14 | H9 | 180.0° | 180.0° |
| C9 | C10 | C11 | H10 | 180.0° | 179.1° |
| C9 | C10 | C11 | C12 | 0.1° | 17.3° |
| C9 | C10 | C11 | C15 | 180.0° | 163.6° |
| C10 | C9 | C14 | C13 | 0.1° | 8.8° |
| C14 | C9 | C10 | C11 | 0.0° | 0.2° |
| C14 | C9 | C10 | H10 | 179.9° | 179.3° |
| C9 | C14 | C13 | C12 | 0.1° | 0.6° |
| C9 | C14 | C13 | H13 | 180.0° | 179.4° |
| H9 | C9 | C10 | C11 | 180.0° | 179.8° |
| H9 | C9 | C10 | H10 | 0.1° | 0.7° |
| H9 | C9 | C14 | C13 | 179.9° | 171.2° |
| C10 | C11 | C12 | C15 | 179.9° | 179.2° |
| C10 | C11 | C12 | C13 | 0.1° | 24.5° |
| C10 | C11 | C12 | N1 | 179.9° | 147.9° |
| C10 | C11 | C12 | H112 | 179.3° | 94.8° |
| C10 | C11 | C15 | C16 | 179.9° | 175.0° |
| C10 | C11 | C15 | H15 | 0.1° | 4.3° |
| H10 | C10 | C11 | C12 | 180.0° | 161.8° |
| H10 | C10 | C11 | C15 | 0.0° | 17.3° |
| C11 | C12 | C13 | N1 | 180.0° | 121.6° |
| C11 | C12 | C13 | H112 | 179.0° | 119.3° |
| C11 | C12 | N1 | H112 | 3.2° | 117.3° |
| C11 | C12 | C13 | C14 | 0.0° | 16.2° |
| C11 | C12 | C13 | H13 | 179.9° | 163.8° |
| C12 | C11 | C15 | C16 | 0.1° | 5.8° |
| C12 | C11 | C15 | H15 | 180.0° | 174.9° |
| C11 | C12 | N1 | C17 | 0.0° | 45.7° |
| C11 | C12 | N1 | C18 | 179.7° | 134.2° |
| C15 | C11 | C12 | C13 | 180.0° | 156.4° |
| C15 | C11 | C12 | N1 | 0.1° | 32.9° |
| C15 | C11 | C12 | H112 | 0.7° | 84.3° |
| C11 | C15 | C16 | H15 | 180.0° | 179.3° |
| C11 | C15 | C16 | C17 | 0.0° | 12.5° |
| C11 | C15 | C16 | H16 | 180.0° | 167.4° |
| C13 | C12 | N1 | H112 | 176.8° | 119.2° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C13 | C12 | N1 | C17 | 180.0° | 169.2° |
| C13 | C12 | N1 | C18 | 0.2° | 10.7° |
| N1 | C12 | C13 | C14 | 179.9° | 137.9° |
| N1 | C12 | C13 | H13 | 0.1° | 42.2° |
| C12 | N1 | C17 | C16 | 0.0° | 31.6° |
| C12 | N1 | C17 | C18 | 179.8° | 179.9° |
| C12 | N1 | C17 | H17 | 179.9° | 148.5° |
| C12 | N1 | C18 | C19 | 76.7° | 93.6° |
| C12 | N1 | C18 | H181 | 39.9° | 146.3° |
| C12 | N1 | C18 | H182 | 163.3° | 26.4° |
| H112 | C12 | C13 | C14 | 179.0° | 103.0° |
| H112 | C12 | C13 | H13 | 0.9° | 76.9° |
| H112 | C12 | N1 | C17 | 3.2° | 71.6° |
| H112 | C12 | N1 | C18 | 177.0° | 108.5° |
| C15 | C16 | C17 | H16 | 180.0° | 179.9° |
| C15 | C16 | C17 | N1 | 0.1° | 0.5° |
| C15 | C16 | C17 | H17 | 179.9° | 179.6° |
| H15 | C15 | C16 | C17 | 180.0° | 166.8° |
| H15 | C15 | C16 | H16 | 0.0° | 13.3° |
| C16 | C17 | N1 | H17 | 180.0° | 179.9° |
| C16 | C17 | N1 | C18 | 179.8° | 148.3° |
| H16 | C16 | C17 | N1 | 179.9° | 179.6° |
| H16 | C16 | C17 | H17 | 0.1° | 0.3° |
| C17 | N1 | C18 | C19 | 103.1° | 86.3° |
| C17 | N1 | C18 | H181 | 140.4° | 33.7° |
| C17 | N1 | C18 | H182 | 16.9° | 153.7° |
| H17 | C17 | N1 | C18 | 0.2° | 31.6° |
| N1 | C18 | C19 | H181 | 116.5° | 120.1° |
| N1 | C18 | C19 | H182 | 120.0° | 120.0° |
| N1 | C18 | H181 | H182 | 117.9° | 119.9° |
| N1 | C18 | C19 | H191 | 80.2° | 55.0° |
| N1 | C18 | C19 | H192 | 60.3° | 64.9° |
| C19 | C18 | H181 | H182 | 117.9° | 120.0° |
| C18 | C19 | H191 | H192 | 109.4° | 120.0° |
| H181 | C18 | C19 | H191 | 36.4° | 175.1° |
| H181 | C18 | C19 | H192 | 176.8° | 55.1° |
| H182 | C18 | C19 | H191 | 159.8° | 65.0° |
| H182 | C18 | C19 | H192 | 59.7° | 175.1° |
