H4Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | sing | 1.34Å | 0.00Å | |
| O1 | HO1 | sing | 0.97Å | 0.00Å | |
| C1 | O2 | doub | 1.21Å | 0.00Å | |
| C1 | C2 | sing | 1.51Å | 0.00Å | |
| C2 | C3 | sing | 1.53Å | 0.00Å | |
| C2 | H21 | sing | 1.09Å | 0.00Å | |
| C2 | H22 | sing | 1.09Å | 0.00Å | |
| C3 | C4 | sing | 1.53Å | 0.00Å | |
| C3 | H31A | sing | 1.09Å | 0.00Å | |
| C3 | H32 | sing | 1.09Å | 0.00Å | |
| C4 | O3 | sing | 1.43Å | 0.00Å | |
| C4 | C30 | sing | 1.51Å | 0.00Å | |
| C4 | H4 | sing | 1.09Å | 0.00Å | |
| O3 | P1 | sing | 1.61Å | 0.00Å | |
| P1 | O4 | doub | 1.48Å | 0.00Å | |
| P1 | O5 | sing | 1.61Å | 0.00Å | |
| P1 | O6 | sing | 1.61Å | 0.00Å | |
| O5 | HO5 | sing | 0.97Å | 0.00Å | |
| O6 | C5 | sing | 1.43Å | 0.00Å | |
| C5 | C6 | sing | 1.53Å | 0.00Å | |
| C5 | H51 | sing | 1.09Å | 0.00Å | |
| C5 | H52 | sing | 1.09Å | 0.00Å | |
| C6 | O7 | sing | 1.44Å | 0.00Å | |
| C6 | C29 | sing | 1.55Å | 0.00Å | |
| C6 | H6 | sing | 1.09Å | 0.00Å | |
| O7 | C7 | sing | 1.44Å | 0.00Å | |
| C7 | O8 | sing | 1.43Å | 0.00Å | |
| C7 | C28 | sing | 1.55Å | 0.00Å | |
| C7 | H7 | sing | 1.09Å | 0.00Å | |
| O8 | C8 | sing | 1.43Å | 0.00Å | |
| C8 | C9 | sing | 1.53Å | 0.00Å | |
| C8 | H81 | sing | 1.09Å | 0.00Å | |
| C8 | H82 | sing | 1.09Å | 0.00Å | |
| C9 | O9 | sing | 1.43Å | 0.00Å | |
| C9 | C10 | sing | 1.53Å | 0.00Å | |
| C9 | H9 | sing | 1.09Å | 0.00Å | |
| O9 | HO9 | sing | 0.97Å | 0.00Å | |
| C10 | O10 | sing | 1.43Å | 0.00Å | |
| C10 | C11 | sing | 1.53Å | 0.00Å | |
| C10 | H10 | sing | 1.09Å | 0.00Å | |
| O10 | H1 | sing | 0.97Å | 0.00Å | |
| C11 | O11 | sing | 1.43Å | 0.00Å | |
| C11 | C12 | sing | 1.53Å | 93.68Å | |
| C11 | H11 | sing | 1.09Å | 0.00Å | |
| O11 | H2 | sing | 0.97Å | 0.00Å | |
| C12 | C13 | sing | 1.51Å | 1.55Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C27 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | N1 | sing | 1.40Å | 1.46Å | |
| C16 | C26 | doub | 1.39Å | 1.40Å | Aromatic |
| N1 | C17 | sing | 1.47Å | 1.47Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C17 | C18 | sing | 1.53Å | 3.73Å | |
| C17 | C19 | sing | 1.53Å | 1.56Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| C19 | N2 | sing | 1.47Å | 1.49Å | |
| C19 | C24 | sing | 1.54Å | 1.54Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| N2 | C20 | sing | 1.41Å | 1.47Å | |
| N2 | C31 | sing | 1.35Å | 3.54Å | |
| C20 | C21 | doub | 1.39Å | 1.36Å | Aromatic |
| C20 | C23 | sing | 1.40Å | 1.51Å | Aromatic |
| C21 | N3 | sing | 1.34Å | 1.46Å | Aromatic |
| C21 | N6 | sing | 1.38Å | 1.46Å | |
| N3 | C22 | doub | 1.32Å | 1.36Å | Aromatic |
| C22 | N4 | sing | 1.37Å | 1.32Å | |
| C22 | N5 | sing | 1.36Å | 1.33Å | Aromatic |
| N4 | HN41 | sing | 0.97Å | 1.00Å | |
| N4 | HN42 | sing | 0.97Å | 1.00Å | |
| N5 | C23 | sing | 1.35Å | 1.33Å | Aromatic |
| N5 | HN5 | sing | 0.97Å | 1.00Å | |
| C23 | O12 | doub | 1.22Å | 1.22Å | |
| N6 | C24 | sing | 1.47Å | 1.45Å | |
| N6 | HN6 | sing | 0.97Å | 1.00Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H253 | sing | 1.09Å | 1.10Å | |
| C26 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | O13 | sing | 1.43Å | 0.00Å | |
| C28 | C29 | sing | 1.55Å | 0.00Å | |
| C28 | H28 | sing | 1.09Å | 0.00Å | |
| O13 | H13 | sing | 0.97Å | 0.00Å | |
| C29 | O14 | sing | 1.43Å | 0.00Å | |
| C29 | H29 | sing | 1.09Å | 0.00Å | |
| O14 | H3 | sing | 0.97Å | 0.00Å | |
| C30 | O15 | doub | 1.21Å | 0.00Å | |
| C30 | O16 | sing | 1.34Å | 0.00Å | |
| O16 | H16 | sing | 0.97Å | 0.00Å | |
| C31 | O17 | doub | 1.21Å | 1.24Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O1 | HO1 | 90.0° | 120.0° |
| O1 | C1 | O2 | 90.0° | 119.9° |
| O1 | C1 | C2 | 90.0° | 120.1° |
| O2 | C1 | C2 | 90.0° | 120.0° |
| C1 | C2 | C3 | 90.0° | 109.5° |
| C1 | C2 | H21 | 90.0° | 109.5° |
| C1 | C2 | H22 | 90.0° | 109.5° |
| C3 | C2 | H21 | 90.0° | 109.5° |
| C3 | C2 | H22 | 90.0° | 109.4° |
| C2 | C3 | C4 | 90.0° | 109.5° |
| C2 | C3 | H31A | 90.0° | 109.5° |
| C2 | C3 | H32 | 90.0° | 109.5° |
| H21 | C2 | H22 | 90.0° | 109.5° |
| C4 | C3 | H31A | 90.0° | 109.5° |
| C4 | C3 | H32 | 90.0° | 109.5° |
| C3 | C4 | O3 | 90.0° | 109.4° |
| C3 | C4 | C30 | 90.0° | 109.5° |
| C3 | C4 | H4 | 90.0° | 109.5° |
| H31A | C3 | H32 | 90.0° | 109.5° |
| O3 | C4 | C30 | 90.0° | 109.5° |
| O3 | C4 | H4 | 90.0° | 109.5° |
| C4 | O3 | P1 | 90.0° | 106.8° |
| C30 | C4 | H4 | 90.0° | 109.5° |
| C4 | C30 | O15 | 90.0° | 120.0° |
| C4 | C30 | O16 | 90.0° | 120.0° |
| O3 | P1 | O4 | 90.0° | 109.4° |
| O3 | P1 | O5 | 90.0° | 109.5° |
| O3 | P1 | O6 | 90.0° | 109.5° |
| O4 | P1 | O5 | 90.0° | 109.5° |
| O4 | P1 | O6 | 90.0° | 109.4° |
| O5 | P1 | O6 | 90.0° | 109.5° |
| P1 | O5 | HO5 | 90.0° | 106.7° |
| P1 | O6 | C5 | 90.0° | 106.8° |
| O6 | C5 | C6 | 90.0° | 109.5° |
| O6 | C5 | H51 | 90.0° | 109.5° |
| O6 | C5 | H52 | 90.0° | 109.5° |
| C6 | C5 | H51 | 90.0° | 109.5° |
| C6 | C5 | H52 | 90.0° | 109.5° |
| C5 | C6 | O7 | 90.0° | 110.4° |
| C5 | C6 | C29 | 90.0° | 110.4° |
| C5 | C6 | H6 | 90.0° | 110.3° |
| H51 | C5 | H52 | 90.0° | 109.5° |
| O7 | C6 | C29 | 90.0° | 104.8° |
| O7 | C6 | H6 | 90.0° | 110.4° |
| C6 | O7 | C7 | 90.0° | 105.3° |
| C29 | C6 | H6 | 90.0° | 110.5° |
| C6 | C29 | C28 | 90.0° | 104.0° |
| C6 | C29 | O14 | 90.0° | 110.5° |
| C6 | C29 | H29 | 90.0° | 110.5° |
| O7 | C7 | O8 | 90.0° | 110.4° |
| O7 | C7 | C28 | 90.0° | 104.8° |
| O7 | C7 | H7 | 90.0° | 110.4° |
| O8 | C7 | C28 | 90.0° | 110.4° |
| O8 | C7 | H7 | 90.0° | 110.4° |
| C7 | O8 | C8 | 90.0° | 106.8° |
| C28 | C7 | H7 | 90.0° | 110.4° |
| C7 | C28 | O13 | 90.0° | 110.5° |
| C7 | C28 | C29 | 90.0° | 104.1° |
| C7 | C28 | H28 | 90.0° | 110.5° |
| O8 | C8 | C9 | 90.0° | 109.5° |
| O8 | C8 | H81 | 90.0° | 109.5° |
| O8 | C8 | H82 | 90.0° | 109.5° |
| C9 | C8 | H81 | 90.0° | 109.5° |
| C9 | C8 | H82 | 90.0° | 109.5° |
| C8 | C9 | O9 | 90.0° | 109.5° |
| C8 | C9 | C10 | 90.0° | 109.5° |
| C8 | C9 | H9 | 90.0° | 109.5° |
| H81 | C8 | H82 | 90.0° | 109.5° |
| O9 | C9 | C10 | 90.0° | 109.5° |
| O9 | C9 | H9 | 90.0° | 109.5° |
| C9 | O9 | HO9 | 90.0° | 106.8° |
| C10 | C9 | H9 | 90.0° | 109.5° |
| C9 | C10 | O10 | 90.0° | 109.5° |
| C9 | C10 | C11 | 90.0° | 109.5° |
| C9 | C10 | H10 | 90.0° | 109.5° |
| O10 | C10 | C11 | 90.0° | 109.5° |
| O10 | C10 | H10 | 90.0° | 109.5° |
| C10 | O10 | H1 | 90.0° | 106.8° |
| C11 | C10 | H10 | 90.0° | 109.5° |
| C10 | C11 | O11 | 90.0° | 109.5° |
| C10 | C11 | C12 | 90.0° | 109.5° |
| C10 | C11 | H11 | 90.0° | 109.5° |
| O11 | C11 | C12 | 90.0° | 109.5° |
| O11 | C11 | H11 | 90.0° | 109.5° |
| C11 | O11 | H2 | 90.0° | 106.7° |
| C12 | C11 | H11 | 90.0° | 109.4° |
| C11 | C12 | C13 | 87.9° | 109.4° |
| C11 | C12 | H121 | 117.4° | 109.4° |
| C11 | C12 | H122 | 121.3° | 109.5° |
| C13 | C12 | H121 | 117.4° | 109.5° |
| C13 | C12 | H122 | 121.2° | 109.5° |
| C12 | C13 | C14 | 120.8° | 120.0° |
| C12 | C13 | C27 | 119.6° | 119.9° |
| H121 | C12 | H122 | 94.1° | 109.5° |
| C14 | C13 | C27 | 119.7° | 120.1° |
| C13 | C14 | C15 | 120.2° | 120.1° |
| C13 | C14 | H14 | 119.9° | 119.9° |
| C13 | C27 | C26 | 120.2° | 120.1° |
| C13 | C27 | H27 | 119.9° | 120.0° |
| C15 | C14 | H14 | 119.9° | 120.0° |
| C14 | C15 | C16 | 120.2° | 119.9° |
| C14 | C15 | H15 | 119.9° | 120.1° |
| C16 | C15 | H15 | 119.9° | 120.0° |
| C15 | C16 | N1 | 120.3° | 120.1° |
| C15 | C16 | C26 | 119.4° | 119.9° |
| N1 | C16 | C26 | 120.3° | 120.1° |
| C16 | N1 | C17 | 113.2° | 120.0° |
| C16 | N1 | HN1 | 108.2° | 120.1° |
| C16 | C26 | C27 | 120.4° | 119.9° |
| C16 | C26 | H26 | 119.8° | 120.1° |
| C17 | N1 | HN1 | 108.2° | 119.9° |
| N1 | C17 | C18 | 61.6° | 109.5° |
| N1 | C17 | C19 | 112.6° | 109.5° |
| N1 | C17 | H17 | 126.8° | 109.5° |
| C18 | C17 | C19 | 85.9° | 109.5° |
| C18 | C17 | H17 | 148.0° | 109.5° |
| C17 | C18 | H181 | 109.5° | 109.5° |
| C17 | C18 | H182 | 109.5° | 109.5° |
| C17 | C18 | H183 | 109.5° | 109.5° |
| C19 | C17 | H17 | 112.1° | 109.5° |
| C17 | C19 | N2 | 115.2° | 109.7° |
| C17 | C19 | C24 | 95.1° | 109.7° |
| C17 | C19 | H19 | 118.5° | 109.8° |
| H181 | C18 | H182 | 109.5° | 109.5° |
| H181 | C18 | H183 | 109.5° | 109.4° |
| H182 | C18 | H183 | 109.5° | 109.4° |
| N2 | C19 | C24 | 117.8° | 108.0° |
| N2 | C19 | H19 | 96.1° | 109.8° |
| C19 | N2 | C20 | 114.6° | 118.5° |
| C19 | N2 | C31 | 130.6° | 120.7° |
| C24 | C19 | H19 | 115.9° | 109.7° |
| C19 | C24 | N6 | 117.4° | 108.3° |
| C19 | C24 | C25 | 131.1° | 109.7° |
| C19 | C24 | H24 | 48.6° | 109.7° |
| C20 | N2 | C31 | 87.8° | 120.8° |
| N2 | C20 | C21 | 122.6° | 120.1° |
| N2 | C20 | C23 | 120.6° | 120.8° |
| N2 | C31 | O17 | 112.8° | 120.0° |
| N2 | C31 | H31 | 123.6° | 120.0° |
| C21 | C20 | C23 | 116.8° | 119.1° |
| C20 | C21 | N3 | 118.0° | 119.5° |
| C20 | C21 | N6 | 123.3° | 119.9° |
| C20 | C23 | N5 | 121.1° | 118.5° |
| C20 | C23 | O12 | 121.3° | 120.8° |
| N3 | C21 | N6 | 118.7° | 120.5° |
| C21 | N3 | C22 | 121.5° | 121.0° |
| C21 | N6 | C24 | 111.5° | 119.1° |
| C21 | N6 | HN6 | 108.8° | 120.4° |
| N3 | C22 | N4 | 119.2° | 119.2° |
| N3 | C22 | N5 | 121.4° | 121.7° |
| N4 | C22 | N5 | 119.4° | 119.2° |
| C22 | N4 | HN41 | 109.5° | 120.0° |
| C22 | N4 | HN42 | 109.5° | 120.0° |
| C22 | N5 | C23 | 121.1° | 120.2° |
| C22 | N5 | HN5 | 119.5° | 119.9° |
| HN41 | N4 | HN42 | 109.4° | 120.0° |
| C23 | N5 | HN5 | 119.4° | 119.9° |
| N5 | C23 | O12 | 117.6° | 120.8° |
| C24 | N6 | HN6 | 108.8° | 120.5° |
| N6 | C24 | C25 | 111.5° | 109.7° |
| N6 | C24 | H24 | 165.8° | 109.7° |
| C25 | C24 | H24 | 82.5° | 109.7° |
| C24 | C25 | H251 | 109.5° | 109.5° |
| C24 | C25 | H252 | 109.5° | 109.5° |
| C24 | C25 | H253 | 109.5° | 109.5° |
| H251 | C25 | H252 | 109.4° | 109.4° |
| H251 | C25 | H253 | 109.5° | 109.5° |
| H252 | C25 | H253 | 109.5° | 109.5° |
| C27 | C26 | H26 | 119.8° | 120.0° |
| C26 | C27 | H27 | 119.9° | 120.0° |
| O13 | C28 | C29 | 90.0° | 110.5° |
| O13 | C28 | H28 | 90.0° | 110.6° |
| C28 | O13 | H13 | 90.0° | 106.8° |
| C29 | C28 | H28 | 90.0° | 110.6° |
| C28 | C29 | O14 | 90.0° | 110.5° |
| C28 | C29 | H29 | 90.0° | 110.6° |
| O14 | C29 | H29 | 90.0° | 110.5° |
| C29 | O14 | H3 | 90.0° | 106.8° |
| O15 | C30 | O16 | 90.0° | 120.1° |
| C30 | O16 | H16 | 90.0° | 120.0° |
| O17 | C31 | H31 | 123.6° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | O2 | C2 | 90.0° | 180.0° |
| O1 | C1 | C2 | C3 | 90.0° | 180.0° |
| O1 | C1 | C2 | H21 | 90.0° | 60.0° |
| O1 | C1 | C2 | H22 | 90.0° | 60.0° |
| HO1 | O1 | C1 | O2 | 90.0° | 0.0° |
| HO1 | O1 | C1 | C2 | 90.0° | 179.9° |
| O2 | C1 | C2 | C3 | 90.0° | 0.1° |
| O2 | C1 | C2 | H21 | 90.0° | 120.0° |
| O2 | C1 | C2 | H22 | 90.0° | 120.0° |
| C1 | C2 | C3 | H21 | 90.0° | 120.1° |
| C1 | C2 | C3 | H22 | 90.0° | 120.0° |
| C1 | C2 | H21 | H22 | 90.0° | 120.0° |
| C1 | C2 | C3 | C4 | 90.0° | 180.0° |
| C1 | C2 | C3 | H31A | 90.0° | 59.9° |
| C1 | C2 | C3 | H32 | 90.0° | 60.0° |
| C3 | C2 | H21 | H22 | 90.0° | 120.0° |
| C2 | C3 | C4 | H31A | 90.0° | 120.0° |
| C2 | C3 | C4 | H32 | 90.0° | 120.0° |
| C2 | C3 | H31A | H32 | 90.0° | 120.0° |
| C2 | C3 | C4 | O3 | 90.0° | 65.0° |
| C2 | C3 | C4 | C30 | 90.0° | 175.0° |
| C2 | C3 | C4 | H4 | 90.0° | 55.0° |
| H21 | C2 | C3 | C4 | 90.0° | 60.0° |
| H21 | C2 | C3 | H31A | 90.0° | 180.0° |
| H21 | C2 | C3 | H32 | 90.0° | 60.0° |
| H22 | C2 | C3 | C4 | 90.0° | 60.0° |
| H22 | C2 | C3 | H31A | 90.0° | 60.0° |
| H22 | C2 | C3 | H32 | 90.0° | 180.0° |
| C4 | C3 | H31A | H32 | 90.0° | 120.0° |
| C3 | C4 | O3 | C30 | 90.0° | 120.0° |
| C3 | C4 | O3 | H4 | 90.0° | 120.0° |
| C3 | C4 | C30 | H4 | 90.0° | 120.0° |
| C3 | C4 | O3 | P1 | 90.0° | 120.0° |
| C3 | C4 | C30 | O15 | 90.0° | 120.0° |
| C3 | C4 | C30 | O16 | 90.0° | 60.0° |
| H31A | C3 | C4 | O3 | 90.0° | 55.0° |
| H31A | C3 | C4 | C30 | 90.0° | 65.0° |
| H31A | C3 | C4 | H4 | 90.0° | 175.0° |
| H32 | C3 | C4 | O3 | 90.0° | 175.0° |
| H32 | C3 | C4 | C30 | 90.0° | 55.0° |
| H32 | C3 | C4 | H4 | 90.0° | 65.0° |
| O3 | C4 | C30 | H4 | 90.0° | 120.0° |
| C4 | O3 | P1 | O4 | 90.0° | 55.0° |
| C4 | O3 | P1 | O5 | 90.0° | 65.0° |
| C4 | O3 | P1 | O6 | 90.0° | 175.0° |
| O3 | C4 | C30 | O15 | 90.0° | 0.0° |
| O3 | C4 | C30 | O16 | 90.0° | 180.0° |
| C30 | C4 | O3 | P1 | 90.0° | 120.0° |
| C4 | C30 | O15 | O16 | 90.0° | 180.0° |
| C4 | C30 | O16 | H16 | 90.0° | 180.0° |
| H4 | C4 | O3 | P1 | 90.0° | 0.0° |
| H4 | C4 | C30 | O15 | 90.0° | 120.0° |
| H4 | C4 | C30 | O16 | 90.0° | 60.0° |
| O3 | P1 | O4 | O5 | 90.0° | 120.0° |
| O3 | P1 | O4 | O6 | 90.0° | 119.9° |
| O3 | P1 | O5 | O6 | 90.0° | 120.0° |
| O3 | P1 | O5 | HO5 | 90.0° | 60.0° |
| O3 | P1 | O6 | C5 | 90.0° | 175.0° |
| O4 | P1 | O5 | O6 | 90.0° | 120.0° |
| O4 | P1 | O5 | HO5 | 90.0° | 180.0° |
| O4 | P1 | O6 | C5 | 90.0° | 55.1° |
| O5 | P1 | O6 | C5 | 90.0° | 65.0° |
| O6 | P1 | O5 | HO5 | 90.0° | 60.0° |
| P1 | O6 | C5 | C6 | 90.0° | 180.0° |
| P1 | O6 | C5 | H51 | 90.0° | 60.0° |
| P1 | O6 | C5 | H52 | 90.0° | 60.0° |
| O6 | C5 | C6 | H51 | 90.0° | 120.0° |
| O6 | C5 | C6 | H52 | 90.0° | 120.0° |
| O6 | C5 | H51 | H52 | 90.0° | 120.0° |
| O6 | C5 | C6 | O7 | 90.0° | 66.5° |
| O6 | C5 | C6 | C29 | 90.0° | 178.1° |
| O6 | C5 | C6 | H6 | 90.0° | 55.8° |
| C6 | C5 | H51 | H52 | 90.0° | 120.0° |
| C5 | C6 | O7 | C29 | 90.0° | 118.9° |
| C5 | C6 | O7 | H6 | 90.0° | 122.2° |
| C5 | C6 | C29 | H6 | 90.0° | 122.3° |
| C5 | C6 | O7 | C7 | 90.0° | 159.4° |
| C5 | C6 | C29 | C28 | 90.0° | 142.8° |
| C5 | C6 | C29 | O14 | 90.0° | 24.2° |
| C5 | C6 | C29 | H29 | 90.0° | 98.4° |
| H51 | C5 | C6 | O7 | 90.0° | 53.6° |
| H51 | C5 | C6 | C29 | 90.0° | 61.9° |
| H51 | C5 | C6 | H6 | 90.0° | 175.8° |
| H52 | C5 | C6 | O7 | 90.0° | 173.5° |
| H52 | C5 | C6 | C29 | 90.0° | 58.1° |
| H52 | C5 | C6 | H6 | 90.0° | 64.2° |
| O7 | C6 | C29 | H6 | 90.0° | 118.9° |
| C6 | O7 | C7 | O8 | 90.0° | 159.3° |
| C6 | O7 | C7 | C28 | 90.0° | 40.5° |
| C6 | O7 | C7 | H7 | 90.0° | 78.4° |
| O7 | C6 | C29 | C28 | 90.0° | 24.0° |
| O7 | C6 | C29 | O14 | 90.0° | 94.6° |
| O7 | C6 | C29 | H29 | 90.0° | 142.7° |
| C29 | C6 | O7 | C7 | 90.0° | 40.5° |
| C6 | C29 | C28 | C7 | 90.0° | 0.0° |
| C6 | C29 | C28 | O13 | 90.0° | 118.6° |
| C6 | C29 | C28 | O14 | 90.0° | 118.6° |
| C6 | C29 | C28 | H29 | 90.0° | 118.7° |
| C6 | C29 | C28 | H28 | 90.0° | 118.6° |
| C6 | C29 | O14 | H29 | 90.0° | 122.6° |
| C6 | C29 | O14 | H3 | 90.0° | 180.0° |
| H6 | C6 | O7 | C7 | 90.0° | 78.4° |
| H6 | C6 | C29 | C28 | 90.0° | 94.9° |
| H6 | C6 | C29 | O14 | 90.0° | 146.5° |
| H6 | C6 | C29 | H29 | 90.0° | 23.9° |
| O7 | C7 | O8 | C28 | 90.0° | 115.4° |
| O7 | C7 | O8 | H7 | 90.0° | 122.3° |
| O7 | C7 | C28 | H7 | 90.0° | 118.9° |
| O7 | C7 | O8 | C8 | 90.0° | 71.5° |
| O7 | C7 | C28 | O13 | 90.0° | 94.7° |
| O7 | C7 | C28 | C29 | 90.0° | 24.0° |
| O7 | C7 | C28 | H28 | 90.0° | 142.7° |
| O8 | C7 | C28 | H7 | 90.0° | 122.3° |
| C7 | O8 | C8 | C9 | 90.0° | 180.0° |
| C7 | O8 | C8 | H81 | 90.0° | 60.0° |
| C7 | O8 | C8 | H82 | 90.0° | 60.0° |
| O8 | C7 | C28 | O13 | 90.0° | 24.2° |
| O8 | C7 | C28 | C29 | 90.0° | 142.8° |
| O8 | C7 | C28 | H28 | 90.0° | 98.5° |
| C28 | C7 | O8 | C8 | 90.0° | 173.2° |
| C7 | C28 | O13 | C29 | 90.0° | 114.6° |
| C7 | C28 | O13 | H28 | 90.0° | 122.6° |
| C7 | C28 | C29 | H28 | 90.0° | 118.6° |
| C7 | C28 | O13 | H13 | 90.0° | 65.4° |
| C7 | C28 | C29 | O14 | 90.0° | 118.6° |
| C7 | C28 | C29 | H29 | 90.0° | 118.7° |
| H7 | C7 | O8 | C8 | 90.0° | 50.8° |
| H7 | C7 | C28 | O13 | 90.0° | 146.5° |
| H7 | C7 | C28 | C29 | 90.0° | 94.9° |
| H7 | C7 | C28 | H28 | 90.0° | 23.8° |
| O8 | C8 | C9 | H81 | 90.0° | 120.0° |
| O8 | C8 | C9 | H82 | 90.0° | 120.0° |
| O8 | C8 | H81 | H82 | 90.0° | 120.0° |
| O8 | C8 | C9 | O9 | 90.0° | 65.0° |
| O8 | C8 | C9 | C10 | 90.0° | 175.0° |
| O8 | C8 | C9 | H9 | 90.0° | 55.0° |
| C9 | C8 | H81 | H82 | 90.0° | 120.0° |
| C8 | C9 | O9 | C10 | 90.0° | 120.0° |
| C8 | C9 | O9 | H9 | 90.0° | 120.0° |
| C8 | C9 | C10 | H9 | 90.0° | 120.0° |
| C8 | C9 | O9 | HO9 | 90.0° | 60.0° |
| C8 | C9 | C10 | O10 | 90.0° | 60.0° |
| C8 | C9 | C10 | C11 | 90.0° | 180.0° |
| C8 | C9 | C10 | H10 | 90.0° | 60.0° |
| H81 | C8 | C9 | O9 | 90.0° | 55.0° |
| H81 | C8 | C9 | C10 | 90.0° | 65.0° |
| H81 | C8 | C9 | H9 | 90.0° | 175.0° |
| H82 | C8 | C9 | O9 | 90.0° | 175.0° |
| H82 | C8 | C9 | C10 | 90.0° | 55.0° |
| H82 | C8 | C9 | H9 | 90.0° | 65.0° |
| O9 | C9 | C10 | H9 | 90.0° | 120.0° |
| O9 | C9 | C10 | O10 | 90.0° | 180.0° |
| O9 | C9 | C10 | C11 | 90.0° | 60.0° |
| O9 | C9 | C10 | H10 | 90.0° | 60.0° |
| C10 | C9 | O9 | HO9 | 90.0° | 60.0° |
| C9 | C10 | O10 | C11 | 90.0° | 120.0° |
| C9 | C10 | O10 | H10 | 90.0° | 120.0° |
| C9 | C10 | C11 | H10 | 90.0° | 120.0° |
| C9 | C10 | O10 | H1 | 90.0° | 60.0° |
| C9 | C10 | C11 | O11 | 90.0° | 60.0° |
| C9 | C10 | C11 | C12 | 90.0° | 180.0° |
| C9 | C10 | C11 | H11 | 90.0° | 60.0° |
| H9 | C9 | O9 | HO9 | 90.0° | 180.0° |
| H9 | C9 | C10 | O10 | 90.0° | 60.0° |
| H9 | C9 | C10 | C11 | 90.0° | 60.0° |
| H9 | C9 | C10 | H10 | 90.0° | 180.0° |
| O10 | C10 | C11 | H10 | 90.0° | 120.0° |
| O10 | C10 | C11 | O11 | 90.0° | 180.0° |
| O10 | C10 | C11 | C12 | 90.0° | 60.0° |
| O10 | C10 | C11 | H11 | 90.0° | 60.0° |
| C11 | C10 | O10 | H1 | 90.0° | 60.0° |
| C10 | C11 | O11 | C12 | 90.0° | 120.0° |
| C10 | C11 | O11 | H11 | 90.0° | 120.0° |
| C10 | C11 | C12 | H11 | 90.0° | 119.9° |
| C10 | C11 | O11 | H2 | 90.0° | 60.0° |
| C10 | C11 | C12 | C13 | 90.0° | 175.0° |
| C10 | C11 | C12 | H121 | 90.0° | 65.0° |
| C10 | C11 | C12 | H122 | 90.0° | 55.0° |
| H10 | C10 | O10 | H1 | 90.0° | 180.0° |
| H10 | C10 | C11 | O11 | 90.0° | 60.0° |
| H10 | C10 | C11 | C12 | 90.0° | 60.0° |
| H10 | C10 | C11 | H11 | 90.0° | 180.0° |
| O11 | C11 | C12 | H11 | 90.0° | 120.0° |
| O11 | C11 | C12 | C13 | 90.0° | 65.0° |
| O11 | C11 | C12 | H121 | 90.0° | 55.0° |
| O11 | C11 | C12 | H122 | 90.0° | 175.0° |
| C12 | C11 | O11 | H2 | 90.0° | 60.0° |
| C11 | C12 | C13 | H121 | 120.0° | 119.9° |
| C11 | C12 | C13 | H122 | 125.8° | 120.0° |
| C11 | C12 | H121 | H122 | 128.6° | 120.0° |
| C11 | C12 | C13 | C14 | 152.4° | 90.0° |
| C11 | C12 | C13 | C27 | 27.6° | 90.1° |
| H11 | C11 | O11 | H2 | 90.0° | 180.0° |
| H11 | C11 | C12 | C13 | 90.0° | 55.1° |
| H11 | C11 | C12 | H121 | 90.0° | 175.0° |
| H11 | C11 | C12 | H122 | 90.0° | 65.0° |
| C13 | C12 | H121 | H122 | 128.5° | 120.1° |
| C12 | C13 | C14 | C27 | 179.9° | 179.9° |
| C12 | C13 | C14 | C15 | 179.8° | 179.8° |
| C12 | C13 | C14 | H14 | 0.2° | 0.0° |
| C12 | C13 | C27 | C26 | 179.8° | 180.0° |
| C12 | C13 | C27 | H27 | 0.2° | 0.0° |
| H121 | C12 | C13 | C14 | 32.4° | 30.0° |
| H121 | C12 | C13 | C27 | 147.6° | 150.0° |
| H122 | C12 | C13 | C14 | 81.7° | 150.0° |
| H122 | C12 | C13 | C27 | 98.2° | 29.9° |
| C13 | C14 | C15 | H14 | 180.0° | 179.8° |
| C13 | C14 | C15 | C16 | 0.3° | 0.5° |
| C13 | C14 | C15 | H15 | 179.7° | 180.0° |
| C14 | C13 | C27 | C26 | 0.3° | 0.0° |
| C14 | C13 | C27 | H27 | 179.7° | 180.0° |
| C27 | C13 | C14 | C15 | 0.3° | 0.3° |
| C27 | C13 | C14 | H14 | 179.8° | 180.0° |
| C13 | C27 | C26 | C16 | 0.3° | 0.0° |
| C13 | C27 | C26 | H27 | 180.0° | 180.0° |
| C13 | C27 | C26 | H26 | 179.7° | 180.0° |
| C14 | C15 | C16 | H15 | 180.0° | 179.6° |
| C14 | C15 | C16 | N1 | 179.2° | 179.8° |
| C14 | C15 | C16 | C26 | 0.8° | 0.5° |
| H14 | C14 | C15 | C16 | 179.7° | 179.8° |
| H14 | C14 | C15 | H15 | 0.3° | 0.2° |
| C15 | C16 | N1 | C26 | 178.3° | 179.8° |
| C15 | C16 | N1 | C17 | 113.5° | 0.3° |
| C15 | C16 | N1 | HN1 | 126.5° | 179.7° |
| C15 | C16 | C26 | C27 | 0.9° | 0.2° |
| C15 | C16 | C26 | H26 | 179.2° | 179.8° |
| H15 | C15 | C16 | N1 | 0.8° | 0.2° |
| H15 | C15 | C16 | C26 | 179.1° | 180.0° |
| C16 | N1 | C17 | HN1 | 120.0° | 180.0° |
| C16 | N1 | C17 | C18 | 110.7° | 106.2° |
| C16 | N1 | C17 | C19 | 177.5° | 133.8° |
| C16 | N1 | C17 | H17 | 32.4° | 13.8° |
| N1 | C16 | C26 | C27 | 179.2° | 180.0° |
| N1 | C16 | C26 | H26 | 0.8° | 0.0° |
| C26 | C16 | N1 | C17 | 64.8° | 180.0° |
| C26 | C16 | N1 | HN1 | 55.2° | 0.1° |
| C16 | C26 | C27 | H26 | 180.0° | 180.0° |
| C16 | C26 | C27 | H27 | 179.7° | 180.0° |
| N1 | C17 | C18 | C19 | 118.4° | 120.0° |
| N1 | C17 | C18 | H17 | 114.8° | 120.0° |
| N1 | C17 | C19 | H17 | 150.3° | 120.0° |
| N1 | C17 | C18 | H181 | 157.2° | 63.7° |
| N1 | C17 | C18 | H182 | 37.2° | 56.3° |
| N1 | C17 | C18 | H183 | 82.8° | 176.3° |
| N1 | C17 | C19 | N2 | 9.7° | 57.2° |
| N1 | C17 | C19 | C24 | 133.7° | 61.4° |
| N1 | C17 | C19 | H19 | 103.1° | 178.0° |
| HN1 | N1 | C17 | C18 | 129.3° | 73.8° |
| HN1 | N1 | C17 | C19 | 57.5° | 46.2° |
| HN1 | N1 | C17 | H17 | 87.6° | 166.2° |
| C18 | C17 | C19 | H17 | 152.7° | 120.0° |
| C17 | C18 | H181 | H182 | 120.0° | 120.1° |
| C17 | C18 | H181 | H183 | 120.0° | 120.0° |
| C17 | C18 | H182 | H183 | 120.0° | 120.0° |
| C18 | C17 | C19 | N2 | 66.7° | 62.8° |
| C18 | C17 | C19 | C24 | 169.3° | 178.7° |
| C18 | C17 | C19 | H19 | 46.2° | 58.0° |
| C19 | C17 | C18 | H181 | 38.8° | 56.3° |
| C19 | C17 | C18 | H182 | 81.2° | 176.3° |
| C19 | C17 | C18 | H183 | 158.8° | 63.7° |
| C17 | C19 | N2 | C24 | 111.1° | 119.6° |
| C17 | C19 | N2 | H19 | 125.4° | 120.8° |
| C17 | C19 | C24 | H19 | 125.1° | 120.7° |
| C17 | C19 | N2 | C20 | 114.8° | 75.5° |
| C17 | C19 | N2 | C31 | 5.0° | 104.5° |
| C17 | C19 | C24 | N6 | 96.4° | 63.3° |
| C17 | C19 | C24 | C25 | 84.1° | 56.4° |
| C17 | C19 | C24 | H24 | 80.9° | 177.0° |
| H17 | C17 | C18 | H181 | 88.0° | 176.3° |
| H17 | C17 | C18 | H182 | 152.0° | 63.7° |
| H17 | C17 | C18 | H183 | 32.0° | 56.3° |
| H17 | C17 | C19 | N2 | 140.6° | 177.2° |
| H17 | C17 | C19 | C24 | 16.6° | 58.6° |
| H17 | C17 | C19 | H19 | 106.6° | 62.0° |
| H181 | C18 | H182 | H183 | 120.0° | 119.9° |
| N2 | C19 | C24 | H19 | 112.9° | 119.7° |
| C19 | N2 | C20 | C31 | 134.3° | 180.0° |
| C19 | N2 | C20 | C21 | 16.9° | 15.9° |
| C19 | N2 | C20 | C23 | 163.7° | 164.0° |
| N2 | C19 | C24 | N6 | 25.6° | 56.3° |
| N2 | C19 | C24 | C25 | 153.9° | 176.0° |
| N2 | C19 | C24 | H24 | 157.1° | 63.4° |
| C19 | N2 | C31 | O17 | 144.1° | 6.1° |
| C19 | N2 | C31 | H31 | 35.9° | 174.0° |
| C24 | C19 | N2 | C20 | 3.7° | 44.1° |
| C24 | C19 | N2 | C31 | 106.0° | 135.9° |
| C19 | C24 | N6 | C21 | 40.3° | 45.6° |
| C19 | C24 | N6 | C25 | 179.6° | 119.7° |
| C19 | C24 | N6 | H24 | 8.3° | 119.7° |
| C19 | C24 | N6 | HN6 | 79.7° | 134.4° |
| C19 | C24 | C25 | H24 | 2.4° | 120.6° |
| C19 | C24 | C25 | H251 | 83.6° | 59.4° |
| C19 | C24 | C25 | H252 | 36.3° | 179.4° |
| C19 | C24 | C25 | H253 | 156.3° | 60.6° |
| H19 | C19 | N2 | C20 | 119.8° | 163.7° |
| H19 | C19 | N2 | C31 | 130.5° | 16.2° |
| H19 | C19 | C24 | N6 | 138.5° | 176.0° |
| H19 | C19 | C24 | C25 | 41.0° | 64.3° |
| H19 | C19 | C24 | H24 | 44.2° | 56.3° |
| N2 | C20 | C21 | C23 | 179.4° | 180.0° |
| N2 | C20 | C21 | N3 | 179.0° | 179.9° |
| N2 | C20 | C21 | N6 | 0.3° | 0.1° |
| N2 | C20 | C23 | N5 | 179.3° | 180.0° |
| N2 | C20 | C23 | O12 | 0.9° | 0.0° |
| C20 | N2 | C31 | O17 | 23.0° | 173.9° |
| C20 | N2 | C31 | H31 | 157.0° | 6.0° |
| C31 | N2 | C20 | C21 | 117.4° | 164.1° |
| C31 | N2 | C20 | C23 | 62.0° | 16.0° |
| N2 | C31 | O17 | H31 | 180.0° | 179.9° |
| C20 | C21 | N3 | N6 | 179.4° | 180.0° |
| C20 | C21 | N3 | C22 | 0.4° | 0.2° |
| C21 | C20 | C23 | N5 | 0.1° | 0.0° |
| C21 | C20 | C23 | O12 | 179.7° | 179.9° |
| C20 | C21 | N6 | C24 | 28.9° | 17.1° |
| C20 | C21 | N6 | HN6 | 91.2° | 162.9° |
| C23 | C20 | C21 | N3 | 0.4° | 0.2° |
| C23 | C20 | C21 | N6 | 179.7° | 179.8° |
| C20 | C23 | N5 | C22 | 0.2° | 0.1° |
| C20 | C23 | N5 | O12 | 179.8° | 180.0° |
| C20 | C23 | N5 | HN5 | 179.8° | 179.9° |
| C21 | N3 | C22 | N4 | 179.6° | 180.0° |
| C21 | N3 | C22 | N5 | 0.1° | 0.0° |
| N3 | C21 | N6 | C24 | 151.8° | 162.9° |
| N3 | C21 | N6 | HN6 | 88.2° | 17.1° |
| N6 | C21 | N3 | C22 | 179.7° | 179.9° |
| C21 | N6 | C24 | HN6 | 120.0° | 180.0° |
| C21 | N6 | C24 | C25 | 139.3° | 165.3° |
| C21 | N6 | C24 | H24 | 48.6° | 74.2° |
| N3 | C22 | N4 | N5 | 179.7° | 179.9° |
| N3 | C22 | N4 | HN41 | 74.4° | 179.9° |
| N3 | C22 | N4 | HN42 | 165.7° | 0.0° |
| N3 | C22 | N5 | C23 | 0.2° | 0.2° |
| N3 | C22 | N5 | HN5 | 179.8° | 179.9° |
| C22 | N4 | HN41 | HN42 | 120.0° | 179.9° |
| N4 | C22 | N5 | C23 | 179.9° | 179.9° |
| N4 | C22 | N5 | HN5 | 0.1° | 0.1° |
| N5 | C22 | N4 | HN41 | 106.0° | 0.0° |
| N5 | C22 | N4 | HN42 | 14.0° | 180.0° |
| C22 | N5 | C23 | HN5 | 180.0° | 180.0° |
| C22 | N5 | C23 | O12 | 180.0° | 179.9° |
| HN5 | N5 | C23 | O12 | 0.0° | 0.1° |
| N6 | C24 | C25 | H24 | 178.1° | 120.6° |
| N6 | C24 | C25 | H251 | 95.9° | 59.4° |
| N6 | C24 | C25 | H252 | 144.1° | 60.5° |
| N6 | C24 | C25 | H253 | 24.1° | 179.5° |
| HN6 | N6 | C24 | C25 | 100.7° | 14.7° |
| HN6 | N6 | C24 | H24 | 71.4° | 105.9° |
| C24 | C25 | H251 | H252 | 120.0° | 120.0° |
| C24 | C25 | H251 | H253 | 120.0° | 120.0° |
| C24 | C25 | H252 | H253 | 120.0° | 120.0° |
| H24 | C24 | C25 | H251 | 86.0° | 180.0° |
| H24 | C24 | C25 | H252 | 33.9° | 60.0° |
| H24 | C24 | C25 | H253 | 154.0° | 60.0° |
| H251 | C25 | H252 | H253 | 120.0° | 119.9° |
| H26 | C26 | C27 | H27 | 0.3° | 0.0° |
| O13 | C28 | C29 | H28 | 90.0° | 122.8° |
| O13 | C28 | C29 | O14 | 90.0° | 0.0° |
| O13 | C28 | C29 | H29 | 90.0° | 122.7° |
| C29 | C28 | O13 | H13 | 90.0° | 180.0° |
| C28 | C29 | O14 | H29 | 90.0° | 122.8° |
| C28 | C29 | O14 | H3 | 90.0° | 65.4° |
| H28 | C28 | O13 | H13 | 90.0° | 57.3° |
| H28 | C28 | C29 | O14 | 90.0° | 122.8° |
| H28 | C28 | C29 | H29 | 90.0° | 0.1° |
| H29 | C29 | O14 | H3 | 90.0° | 57.4° |
| O15 | C30 | O16 | H16 | 90.0° | 0.0° |
