A1JZX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | C2 | doub | 1.32Å | 1.34Å | Aromatic |
| N2 | C1 | sing | 1.33Å | 1.35Å | Aromatic |
| C2 | N3 | sing | 1.32Å | 1.33Å | Aromatic |
| N1 | C1 | sing | 1.38Å | 1.33Å | |
| C1 | C4 | doub | 1.40Å | 1.40Å | Aromatic |
| N3 | C3 | doub | 1.33Å | 1.34Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.37Å | Aromatic |
| C24 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.41Å | 1.38Å | Aromatic |
| C4 | N4 | sing | 1.36Å | 1.39Å | Aromatic |
| C25 | C26 | sing | 1.39Å | 1.37Å | Aromatic |
| C3 | N5 | sing | 1.37Å | 1.37Å | Aromatic |
| N8 | C23 | sing | 1.39Å | 1.39Å | |
| N8 | C22 | sing | 1.35Å | 1.38Å | |
| N7 | C22 | sing | 1.35Å | 1.37Å | |
| N7 | C21 | sing | 1.40Å | 1.40Å | |
| N4 | C5 | doub | 1.30Å | 1.31Å | Aromatic |
| C23 | N9 | doub | 1.32Å | 1.33Å | Aromatic |
| N5 | C5 | sing | 1.36Å | 1.37Å | Aromatic |
| N5 | C6 | sing | 1.47Å | 1.46Å | |
| C28 | C21 | doub | 1.39Å | 1.38Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.38Å | Aromatic |
| O14 | C33 | sing | 1.43Å | 1.41Å | |
| C26 | C27 | doub | 1.38Å | 1.36Å | Aromatic |
| C22 | O12 | doub | 1.22Å | 1.22Å | |
| C21 | C20 | sing | 1.39Å | 1.38Å | Aromatic |
| C6 | C33 | sing | 1.54Å | 1.53Å | |
| C6 | O1 | sing | 1.45Å | 1.42Å | |
| C29 | C18 | doub | 1.38Å | 1.37Å | Aromatic |
| N9 | C27 | sing | 1.32Å | 1.34Å | Aromatic |
| C33 | C32 | sing | 1.55Å | 1.53Å | |
| C20 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| O13 | C32 | sing | 1.43Å | 1.42Å | |
| O1 | C7 | sing | 1.44Å | 1.44Å | |
| C18 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.51Å | 1.51Å | |
| C32 | C7 | sing | 1.55Å | 1.53Å | |
| C17 | C16 | sing | 1.51Å | 1.51Å | |
| C7 | C8 | sing | 1.53Å | 1.51Å | |
| O2 | C8 | sing | 1.43Å | 1.44Å | |
| O2 | P1 | sing | 1.61Å | 1.60Å | |
| C16 | C15 | doub | 1.39Å | 1.38Å | Aromatic |
| C16 | C30 | sing | 1.39Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.37Å | Aromatic |
| C30 | C31 | doub | 1.38Å | 1.37Å | Aromatic |
| O3 | P1 | doub | 1.48Å | 1.48Å | |
| P1 | O4 | sing | 1.61Å | 1.48Å | |
| P1 | O5 | sing | 1.61Å | 1.59Å | |
| C14 | N6 | doub | 1.32Å | 1.34Å | Aromatic |
| C31 | N6 | sing | 1.32Å | 1.35Å | Aromatic |
| O5 | P2 | sing | 1.61Å | 1.59Å | |
| N6 | C11 | sing | 1.47Å | 1.50Å | |
| P2 | O6 | doub | 1.48Å | 1.48Å | |
| P2 | O8 | sing | 1.61Å | 1.59Å | |
| P2 | O7 | sing | 1.61Å | 1.48Å | |
| O8 | C9 | sing | 1.43Å | 1.42Å | |
| C11 | C12 | sing | 1.55Å | 1.55Å | |
| C11 | O9 | sing | 1.44Å | 1.40Å | |
| C12 | C13 | sing | 1.54Å | 1.53Å | |
| C12 | O10 | sing | 1.43Å | 1.41Å | |
| O9 | C10 | sing | 1.44Å | 1.45Å | |
| C13 | C10 | sing | 1.55Å | 1.53Å | |
| C13 | O11 | sing | 1.43Å | 1.42Å | |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| O4 | H37 | sing | 0.97Å | 0.95Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.08Å | 1.08Å | |
| C15 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H21 | sing | 1.08Å | 1.08Å | |
| C20 | H22 | sing | 1.08Å | 1.08Å | |
| C24 | H25 | sing | 1.08Å | 1.08Å | |
| C27 | H28 | sing | 1.08Å | 1.08Å | |
| C30 | H31 | sing | 1.08Å | 1.08Å | |
| C31 | H32 | sing | 1.08Å | 1.08Å | |
| C32 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H35 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.08Å | 1.08Å | |
| C26 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | H29 | sing | 1.08Å | 1.08Å | |
| C29 | H30 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N7 | H23 | sing | 0.97Å | 1.00Å | |
| N8 | H24 | sing | 0.97Å | 1.00Å | |
| O10 | H14 | sing | 0.97Å | 0.95Å | |
| O11 | H16 | sing | 0.97Å | 0.95Å | |
| O13 | H34 | sing | 0.97Å | 0.95Å | |
| O14 | H36 | sing | 0.97Å | 0.95Å | |
| O7 | H38 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N2 | C1 | 118.5° | 121.2° |
| N2 | C2 | N3 | 129.2° | 122.4° |
| N2 | C2 | H3 | 115.4° | 118.8° |
| N2 | C1 | N1 | 118.9° | 120.8° |
| N2 | C1 | C4 | 117.6° | 118.5° |
| C2 | N3 | C3 | 111.1° | 120.6° |
| N3 | C2 | H3 | 115.4° | 118.8° |
| N1 | C1 | C4 | 123.5° | 120.8° |
| C1 | N1 | H2 | 109.5° | 120.0° |
| C1 | N1 | H1 | 109.5° | 120.0° |
| C1 | C4 | C3 | 117.4° | 118.2° |
| C1 | C4 | N4 | 131.7° | 134.7° |
| N3 | C3 | C4 | 126.3° | 119.1° |
| N3 | C3 | N5 | 128.0° | 134.9° |
| C25 | C24 | C23 | 118.1° | 119.1° |
| C24 | C25 | C26 | 119.8° | 118.4° |
| C25 | C24 | H25 | 121.0° | 120.4° |
| C24 | C25 | H26 | 120.1° | 120.8° |
| C24 | C23 | N8 | 117.8° | 119.7° |
| C24 | C23 | N9 | 123.0° | 120.6° |
| C23 | C24 | H25 | 121.0° | 120.5° |
| C3 | C4 | N4 | 110.8° | 107.1° |
| C4 | C3 | N5 | 105.7° | 106.0° |
| C4 | N4 | C5 | 103.8° | 109.4° |
| C25 | C26 | C27 | 118.4° | 119.4° |
| C26 | C25 | H26 | 120.1° | 120.8° |
| C25 | C26 | H27 | 120.8° | 120.3° |
| C3 | N5 | C5 | 106.0° | 107.5° |
| C3 | N5 | C6 | 125.6° | 126.3° |
| C23 | N8 | C22 | 131.3° | 120.0° |
| N8 | C23 | N9 | 119.2° | 119.7° |
| C23 | N8 | H24 | 114.3° | 120.0° |
| N8 | C22 | N7 | 116.2° | 120.0° |
| N8 | C22 | O12 | 120.5° | 120.0° |
| C22 | N8 | H24 | 114.3° | 120.0° |
| C22 | N7 | C21 | 123.4° | 120.0° |
| N7 | C22 | O12 | 123.3° | 120.0° |
| C22 | N7 | H23 | 118.3° | 120.0° |
| N7 | C21 | C28 | 120.5° | 120.1° |
| N7 | C21 | C20 | 120.5° | 120.0° |
| C21 | N7 | H23 | 118.3° | 119.9° |
| N4 | C5 | N5 | 113.6° | 110.0° |
| N4 | C5 | H4 | 123.2° | 125.0° |
| C23 | N9 | C27 | 117.0° | 121.6° |
| C5 | N5 | C6 | 128.4° | 126.3° |
| N5 | C5 | H4 | 123.2° | 125.0° |
| N5 | C6 | C33 | 115.7° | 110.4° |
| N5 | C6 | O1 | 107.9° | 110.4° |
| N5 | C6 | H5 | 109.5° | 110.4° |
| C21 | C28 | C29 | 119.8° | 119.9° |
| C28 | C21 | C20 | 119.0° | 119.9° |
| C21 | C28 | H29 | 120.1° | 120.0° |
| C28 | C29 | C18 | 121.7° | 120.1° |
| C29 | C28 | H29 | 120.1° | 120.1° |
| C28 | C29 | H30 | 119.2° | 119.9° |
| O14 | C33 | C6 | 110.6° | 110.6° |
| O14 | C33 | C32 | 113.3° | 110.5° |
| O14 | C33 | H35 | 111.9° | 110.4° |
| C33 | O14 | H36 | 109.5° | 114.0° |
| C26 | C27 | N9 | 123.8° | 120.8° |
| C26 | C27 | H28 | 118.1° | 119.6° |
| C27 | C26 | H27 | 120.8° | 120.3° |
| C21 | C20 | C19 | 120.2° | 119.9° |
| C21 | C20 | H22 | 119.9° | 120.1° |
| C33 | C6 | O1 | 104.8° | 104.9° |
| C6 | C33 | C32 | 100.2° | 104.1° |
| C6 | C33 | H35 | 110.2° | 110.5° |
| C33 | C6 | H5 | 108.6° | 110.4° |
| C6 | O1 | C7 | 110.1° | 105.2° |
| O1 | C6 | H5 | 110.1° | 110.3° |
| C29 | C18 | C19 | 118.2° | 120.1° |
| C29 | C18 | C17 | 120.6° | 120.0° |
| C18 | C29 | H30 | 119.2° | 119.9° |
| N9 | C27 | H28 | 118.1° | 119.6° |
| C33 | C32 | O13 | 111.5° | 110.7° |
| C33 | C32 | C7 | 102.8° | 104.0° |
| C33 | C32 | H33 | 110.3° | 110.5° |
| C32 | C33 | H35 | 110.1° | 110.5° |
| C20 | C19 | C18 | 121.1° | 120.1° |
| C20 | C19 | H21 | 119.4° | 119.9° |
| C19 | C20 | H22 | 119.9° | 120.0° |
| O13 | C32 | C7 | 109.6° | 110.5° |
| O13 | C32 | H33 | 112.0° | 110.5° |
| C32 | O13 | H34 | 109.5° | 114.0° |
| O1 | C7 | C32 | 105.5° | 104.9° |
| O1 | C7 | C8 | 109.3° | 110.4° |
| O1 | C7 | H6 | 109.5° | 110.4° |
| C19 | C18 | C17 | 121.2° | 119.9° |
| C18 | C19 | H21 | 119.5° | 120.0° |
| C18 | C17 | C16 | 113.1° | 109.5° |
| C18 | C17 | H20 | 108.5° | 109.5° |
| C18 | C17 | H19 | 108.5° | 109.4° |
| C32 | C7 | C8 | 115.5° | 110.4° |
| C32 | C7 | H6 | 108.3° | 110.3° |
| C7 | C32 | H33 | 110.3° | 110.5° |
| C17 | C16 | C15 | 121.4° | 120.8° |
| C17 | C16 | C30 | 120.5° | 120.8° |
| C16 | C17 | H20 | 108.5° | 109.5° |
| C16 | C17 | H19 | 108.5° | 109.5° |
| C7 | C8 | O2 | 110.0° | 109.5° |
| C8 | C7 | H6 | 108.7° | 110.3° |
| C7 | C8 | H7 | 109.3° | 109.5° |
| C7 | C8 | H8 | 109.3° | 109.4° |
| C8 | O2 | P1 | 117.5° | 123.0° |
| O2 | C8 | H7 | 109.4° | 109.5° |
| O2 | C8 | H8 | 109.3° | 109.5° |
| O2 | P1 | O3 | 110.1° | 109.5° |
| O2 | P1 | O4 | 108.2° | 109.5° |
| O2 | P1 | O5 | 101.2° | 109.5° |
| C15 | C16 | C30 | 118.1° | 118.4° |
| C16 | C15 | C14 | 120.1° | 119.2° |
| C16 | C15 | H18 | 119.9° | 120.4° |
| C16 | C30 | C31 | 120.3° | 119.2° |
| C16 | C30 | H31 | 119.8° | 120.4° |
| C15 | C14 | N6 | 120.8° | 120.7° |
| C15 | C14 | H17 | 119.6° | 119.7° |
| C14 | C15 | H18 | 119.9° | 120.4° |
| C30 | C31 | N6 | 120.6° | 120.7° |
| C31 | C30 | H31 | 119.9° | 120.4° |
| C30 | C31 | H32 | 119.7° | 119.7° |
| O3 | P1 | O4 | 118.8° | 109.5° |
| O3 | P1 | O5 | 108.5° | 109.5° |
| O4 | P1 | O5 | 108.7° | 109.5° |
| P1 | O4 | H37 | 109.5° | 114.0° |
| P1 | O5 | P2 | 135.3° | 134.0° |
| C14 | N6 | C31 | 120.0° | 121.8° |
| C14 | N6 | C11 | 116.8° | 119.2° |
| N6 | C14 | H17 | 119.5° | 119.6° |
| C31 | N6 | C11 | 123.2° | 119.1° |
| N6 | C31 | H32 | 119.7° | 119.6° |
| O5 | P2 | O6 | 110.7° | 109.4° |
| O5 | P2 | O8 | 94.9° | 109.5° |
| O5 | P2 | O7 | 109.7° | 109.5° |
| N6 | C11 | C12 | 110.8° | 110.4° |
| N6 | C11 | O9 | 109.1° | 110.4° |
| N6 | C11 | H12 | 109.2° | 110.3° |
| O6 | P2 | O8 | 108.6° | 109.5° |
| O6 | P2 | O7 | 119.7° | 109.5° |
| O8 | P2 | O7 | 110.3° | 109.5° |
| P2 | O8 | C9 | 115.5° | 123.0° |
| P2 | O7 | H38 | 109.5° | 114.1° |
| O8 | C9 | C10 | 110.2° | 109.4° |
| O8 | C9 | H9 | 109.3° | 109.5° |
| O8 | C9 | H10 | 109.3° | 109.5° |
| C12 | C11 | O9 | 108.3° | 104.8° |
| C11 | C12 | C13 | 103.7° | 104.0° |
| C11 | C12 | O10 | 112.8° | 110.5° |
| C12 | C11 | H12 | 108.7° | 110.4° |
| C11 | C12 | H13 | 108.5° | 110.5° |
| C11 | O9 | C10 | 110.9° | 105.3° |
| O9 | C11 | H12 | 110.7° | 110.5° |
| C13 | C12 | O10 | 112.6° | 110.5° |
| C12 | C13 | C10 | 103.8° | 104.0° |
| C12 | C13 | O11 | 108.9° | 110.5° |
| C13 | C12 | H13 | 108.6° | 110.5° |
| C12 | C13 | H15 | 110.8° | 110.5° |
| O10 | C12 | H13 | 110.4° | 110.5° |
| C12 | O10 | H14 | 109.5° | 114.0° |
| O9 | C10 | C13 | 106.0° | 104.9° |
| O9 | C10 | C9 | 110.1° | 110.4° |
| O9 | C10 | H11 | 109.2° | 110.4° |
| C10 | C13 | O11 | 109.4° | 110.5° |
| C13 | C10 | C9 | 114.9° | 110.3° |
| C13 | C10 | H11 | 108.1° | 110.4° |
| C10 | C13 | H15 | 110.9° | 110.5° |
| O11 | C13 | H15 | 112.6° | 110.6° |
| C13 | O11 | H16 | 109.5° | 114.0° |
| C10 | C9 | H9 | 109.3° | 109.5° |
| C10 | C9 | H10 | 109.3° | 109.5° |
| C9 | C10 | H11 | 108.4° | 110.3° |
| H7 | C8 | H8 | 109.5° | 109.5° |
| H9 | C9 | H10 | 109.5° | 109.5° |
| H20 | C17 | H19 | 109.5° | 109.5° |
| H2 | N1 | H1 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C2 | N3 | H3 | 180.0° | 179.7° |
| C2 | N2 | C1 | N1 | 179.4° | 179.7° |
| C2 | N2 | C1 | C4 | 0.3° | 0.0° |
| N2 | C2 | N3 | C3 | 0.5° | 0.3° |
| C1 | N2 | C2 | N3 | 0.6° | 0.0° |
| N2 | C1 | N1 | C4 | 179.6° | 179.7° |
| N2 | C1 | C4 | C3 | 0.1° | 0.2° |
| N2 | C1 | C4 | N4 | 180.0° | 179.7° |
| C1 | N2 | C2 | H3 | 179.4° | 179.7° |
| N2 | C1 | N1 | H2 | 0.0° | 179.7° |
| N2 | C1 | N1 | H1 | 120.0° | 0.3° |
| C2 | N3 | C3 | C4 | 0.2° | 0.5° |
| C2 | N3 | C3 | N5 | 179.8° | 179.8° |
| N1 | C1 | C4 | C3 | 179.7° | 180.0° |
| N1 | C1 | C4 | N4 | 0.4° | 0.0° |
| C1 | N1 | H2 | H1 | 120.0° | 180.0° |
| C1 | C4 | C3 | N3 | 0.1° | 0.5° |
| C1 | C4 | C3 | N4 | 179.9° | 179.9° |
| C1 | C4 | C3 | N5 | 180.0° | 179.9° |
| C1 | C4 | N4 | C5 | 179.9° | 179.9° |
| C4 | C1 | N1 | H2 | 179.6° | 0.0° |
| C4 | C1 | N1 | H1 | 60.4° | 179.9° |
| N3 | C3 | C4 | N5 | 179.9° | 179.5° |
| N3 | C3 | C4 | N4 | 180.0° | 179.5° |
| N3 | C3 | N5 | C5 | 180.0° | 179.3° |
| N3 | C3 | N5 | C6 | 0.5° | 0.7° |
| C3 | N3 | C2 | H3 | 179.4° | 180.0° |
| C25 | C24 | C23 | H25 | 180.0° | 179.7° |
| C24 | C25 | C26 | H26 | 180.0° | 179.9° |
| C25 | C24 | C23 | N8 | 179.8° | 180.0° |
| C25 | C24 | C23 | N9 | 0.3° | 0.0° |
| C24 | C25 | C26 | C27 | 0.6° | 0.0° |
| C24 | C25 | C26 | H27 | 179.4° | 180.0° |
| C23 | C24 | C25 | C26 | 0.2° | 0.0° |
| C24 | C23 | N8 | N9 | 179.9° | 180.0° |
| C24 | C23 | N8 | C22 | 170.0° | 174.6° |
| C24 | C23 | N9 | C27 | 0.4° | 0.0° |
| C23 | C24 | C25 | H26 | 179.9° | 179.9° |
| C24 | C23 | N8 | H24 | 10.0° | 5.4° |
| C3 | C4 | N4 | C5 | 0.0° | 0.0° |
| C4 | C3 | N5 | C5 | 0.1° | 0.0° |
| C4 | C3 | N5 | C6 | 179.5° | 180.0° |
| N4 | C4 | C3 | N5 | 0.0° | 0.0° |
| C4 | N4 | C5 | N5 | 0.1° | 0.0° |
| C4 | N4 | C5 | H4 | 179.9° | 180.0° |
| C25 | C26 | C27 | H27 | 180.0° | 179.9° |
| C25 | C26 | C27 | N9 | 1.5° | 0.0° |
| C26 | C25 | C24 | H25 | 179.8° | 179.7° |
| C25 | C26 | C27 | H28 | 178.5° | 180.0° |
| C3 | N5 | C5 | N4 | 0.1° | 0.0° |
| C3 | N5 | C5 | C6 | 179.4° | 180.0° |
| C3 | N5 | C6 | C33 | 160.9° | 85.0° |
| C3 | N5 | C6 | O1 | 82.1° | 159.5° |
| C3 | N5 | C5 | H4 | 179.9° | 180.0° |
| C3 | N5 | C6 | H5 | 37.7° | 37.3° |
| C23 | N8 | C22 | H24 | 180.0° | 180.0° |
| C23 | N8 | C22 | N7 | 169.3° | 175.0° |
| C23 | N8 | C22 | O12 | 11.3° | 5.0° |
| N8 | C23 | N9 | C27 | 179.5° | 179.9° |
| N8 | C23 | C24 | H25 | 0.2° | 0.3° |
| N8 | C22 | N7 | O12 | 179.4° | 180.0° |
| N8 | C22 | N7 | C21 | 178.8° | 174.8° |
| C22 | N8 | C23 | N9 | 9.9° | 5.3° |
| N8 | C22 | N7 | H23 | 1.1° | 5.2° |
| C22 | N7 | C21 | H23 | 180.0° | 180.0° |
| C22 | N7 | C21 | C28 | 108.8° | 147.0° |
| C22 | N7 | C21 | C20 | 70.8° | 33.1° |
| N7 | C22 | N8 | H24 | 10.8° | 5.0° |
| N7 | C21 | C28 | C20 | 179.6° | 179.9° |
| N7 | C21 | C28 | C29 | 179.7° | 179.7° |
| C21 | N7 | C22 | O12 | 1.7° | 5.1° |
| N7 | C21 | C20 | C19 | 179.6° | 180.0° |
| N7 | C21 | C20 | H22 | 0.3° | 0.0° |
| N7 | C21 | C28 | H29 | 0.2° | 0.0° |
| N4 | C5 | N5 | H4 | 180.0° | 179.9° |
| N4 | C5 | N5 | C6 | 179.6° | 180.0° |
| C23 | N9 | C27 | C26 | 1.3° | 0.0° |
| N9 | C23 | C24 | H25 | 179.7° | 179.7° |
| C23 | N9 | C27 | H28 | 178.7° | 180.0° |
| N9 | C23 | N8 | H24 | 170.1° | 174.6° |
| C5 | N5 | C6 | C33 | 19.8° | 95.0° |
| C5 | N5 | C6 | O1 | 97.2° | 20.5° |
| C5 | N5 | C6 | H5 | 143.0° | 142.7° |
| N5 | C6 | C33 | O14 | 82.4° | 98.5° |
| N5 | C6 | C33 | O1 | 118.8° | 118.9° |
| N5 | C6 | C33 | H5 | 123.6° | 122.3° |
| N5 | C6 | O1 | H5 | 119.5° | 122.3° |
| N5 | C6 | C33 | C32 | 157.8° | 142.8° |
| N5 | C6 | O1 | C7 | 149.1° | 159.2° |
| N5 | C6 | C33 | H35 | 41.8° | 24.1° |
| C6 | N5 | C5 | H4 | 0.4° | 0.1° |
| C21 | C28 | C29 | H29 | 180.0° | 179.7° |
| C21 | C28 | C29 | C18 | 0.0° | 0.3° |
| C28 | C21 | C20 | C19 | 0.0° | 0.0° |
| C28 | C21 | C20 | H22 | 179.9° | 179.9° |
| C21 | C28 | C29 | H30 | 179.9° | 180.0° |
| C28 | C21 | N7 | H23 | 71.2° | 33.0° |
| C29 | C28 | C21 | C20 | 0.1° | 0.3° |
| C28 | C29 | C18 | H30 | 180.0° | 179.7° |
| C28 | C29 | C18 | C19 | 0.3° | 0.1° |
| C28 | C29 | C18 | C17 | 179.9° | 180.0° |
| O14 | C33 | C6 | C32 | 119.8° | 118.7° |
| O14 | C33 | C6 | H35 | 124.2° | 122.6° |
| O14 | C33 | C6 | O1 | 158.8° | 142.6° |
| O14 | C33 | C32 | H35 | 126.2° | 122.5° |
| O14 | C33 | C32 | O13 | 38.2° | 0.1° |
| O14 | C33 | C32 | C7 | 155.5° | 118.8° |
| O14 | C33 | C32 | H33 | 86.8° | 122.6° |
| O14 | C33 | C6 | H5 | 41.2° | 23.9° |
| C26 | C27 | N9 | H28 | 180.0° | 180.0° |
| C27 | C26 | C25 | H26 | 179.3° | 179.9° |
| O12 | C22 | N7 | H23 | 178.3° | 174.9° |
| O12 | C22 | N8 | H24 | 168.7° | 174.9° |
| C21 | C20 | C19 | H22 | 180.0° | 180.0° |
| C21 | C20 | C19 | C18 | 0.2° | 0.2° |
| C21 | C20 | C19 | H21 | 179.8° | 180.0° |
| C20 | C21 | C28 | H29 | 179.8° | 180.0° |
| C20 | C21 | N7 | H23 | 109.2° | 146.9° |
| C33 | C6 | O1 | H5 | 116.6° | 118.9° |
| C6 | C33 | C32 | H35 | 116.0° | 118.7° |
| C6 | C33 | C32 | O13 | 79.6° | 118.7° |
| C33 | C6 | O1 | C7 | 25.2° | 40.4° |
| C6 | C33 | C32 | C7 | 37.7° | 0.0° |
| C6 | C33 | C32 | H33 | 155.4° | 118.6° |
| C6 | C33 | O14 | H36 | 180.0° | 176.1° |
| O1 | C6 | C33 | C32 | 39.0° | 23.9° |
| C6 | O1 | C7 | C32 | 0.4° | 40.3° |
| C6 | O1 | C7 | C8 | 125.1° | 159.2° |
| C6 | O1 | C7 | H6 | 115.9° | 78.5° |
| O1 | C6 | C33 | H35 | 77.0° | 94.8° |
| C29 | C18 | C19 | C20 | 0.4° | 0.2° |
| C29 | C18 | C19 | C17 | 179.6° | 180.0° |
| C29 | C18 | C17 | C16 | 125.6° | 90.0° |
| C29 | C18 | C19 | H21 | 179.6° | 180.0° |
| C29 | C18 | C17 | H20 | 113.9° | 150.0° |
| C29 | C18 | C17 | H19 | 5.0° | 30.0° |
| C18 | C29 | C28 | H29 | 180.0° | 180.0° |
| N9 | C27 | C26 | H27 | 178.6° | 180.0° |
| C33 | C32 | O13 | C7 | 113.1° | 114.7° |
| C33 | C32 | O13 | H33 | 124.1° | 122.7° |
| C33 | C32 | C7 | O1 | 24.2° | 23.9° |
| C33 | C32 | C7 | H33 | 117.6° | 118.6° |
| C33 | C32 | C7 | C8 | 96.5° | 142.8° |
| C33 | C32 | C7 | H6 | 141.4° | 95.0° |
| C32 | C33 | C6 | H5 | 78.6° | 94.8° |
| C33 | C32 | O13 | H34 | 180.0° | 65.3° |
| C32 | C33 | O14 | H36 | 68.4° | 61.4° |
| C20 | C19 | C18 | H21 | 180.0° | 179.8° |
| C20 | C19 | C18 | C17 | 180.0° | 179.8° |
| O13 | C32 | C7 | O1 | 94.4° | 142.7° |
| O13 | C32 | C7 | H33 | 123.8° | 122.6° |
| O13 | C32 | C7 | C8 | 144.9° | 98.4° |
| O13 | C32 | C7 | H6 | 22.8° | 23.8° |
| O13 | C32 | C33 | H35 | 164.4° | 122.6° |
| O1 | C7 | C32 | C8 | 120.7° | 118.9° |
| O1 | C7 | C32 | H6 | 117.2° | 118.9° |
| O1 | C7 | C8 | H6 | 119.4° | 122.3° |
| O1 | C7 | C8 | O2 | 60.9° | 67.9° |
| O1 | C7 | C8 | H7 | 59.2° | 172.0° |
| O1 | C7 | C8 | H8 | 179.1° | 52.0° |
| O1 | C7 | C32 | H33 | 141.8° | 94.7° |
| C7 | O1 | C6 | H5 | 91.4° | 78.5° |
| C19 | C18 | C17 | C16 | 54.1° | 90.0° |
| C18 | C19 | C20 | H22 | 179.8° | 179.8° |
| C19 | C18 | C17 | H20 | 66.5° | 30.0° |
| C19 | C18 | C17 | H19 | 174.6° | 150.0° |
| C19 | C18 | C29 | H30 | 179.7° | 179.8° |
| C18 | C17 | C16 | H20 | 120.5° | 120.0° |
| C18 | C17 | C16 | H19 | 120.5° | 119.9° |
| C18 | C17 | C16 | C15 | 93.8° | 89.9° |
| C18 | C17 | C16 | C30 | 85.9° | 90.1° |
| C17 | C18 | C19 | H21 | 0.0° | 0.0° |
| C18 | C17 | H20 | H19 | 118.3° | 119.9° |
| C17 | C18 | C29 | H30 | 0.0° | 0.3° |
| C32 | C7 | C8 | H6 | 121.9° | 122.2° |
| C32 | C7 | C8 | O2 | 57.8° | 176.5° |
| C32 | C7 | C8 | H7 | 177.9° | 56.5° |
| C32 | C7 | C8 | H8 | 62.3° | 63.5° |
| C7 | C32 | C33 | H35 | 78.3° | 118.7° |
| C7 | C32 | O13 | H34 | 66.9° | 180.0° |
| C17 | C16 | C15 | C30 | 179.7° | 180.0° |
| C17 | C16 | C15 | C14 | 179.9° | 179.9° |
| C17 | C16 | C30 | C31 | 179.6° | 179.8° |
| C17 | C16 | C15 | H18 | 0.1° | 0.1° |
| C17 | C16 | C30 | H31 | 0.4° | 0.0° |
| C16 | C17 | H20 | H19 | 118.3° | 120.0° |
| C7 | C8 | O2 | H7 | 120.1° | 120.0° |
| C7 | C8 | O2 | H8 | 120.1° | 120.0° |
| C7 | C8 | O2 | P1 | 128.6° | 180.0° |
| C7 | C8 | H7 | H8 | 119.8° | 119.9° |
| C8 | C7 | C32 | H33 | 21.1° | 24.2° |
| C8 | O2 | P1 | O3 | 65.8° | 55.0° |
| C8 | O2 | P1 | O4 | 162.9° | 65.0° |
| C8 | O2 | P1 | O5 | 48.8° | 175.0° |
| O2 | C8 | C7 | H6 | 179.7° | 54.3° |
| O2 | C8 | H7 | H8 | 119.7° | 120.1° |
| O2 | P1 | O3 | O4 | 125.5° | 120.0° |
| O2 | P1 | O3 | O5 | 109.8° | 120.0° |
| O2 | P1 | O4 | O5 | 109.0° | 120.0° |
| O2 | P1 | O5 | P2 | 157.6° | 165.0° |
| O2 | P1 | O4 | H37 | 126.4° | 60.0° |
| P1 | O2 | C8 | H7 | 111.3° | 60.0° |
| P1 | O2 | C8 | H8 | 8.5° | 60.0° |
| C16 | C15 | C14 | H18 | 180.0° | 179.9° |
| C15 | C16 | C30 | C31 | 0.1° | 0.2° |
| C16 | C15 | C14 | N6 | 0.2° | 0.0° |
| C16 | C15 | C14 | H17 | 179.8° | 180.0° |
| C15 | C16 | C30 | H31 | 179.9° | 180.0° |
| C15 | C16 | C17 | H20 | 145.6° | 150.0° |
| C15 | C16 | C17 | H19 | 26.7° | 30.0° |
| C30 | C16 | C15 | C14 | 0.1° | 0.0° |
| C16 | C30 | C31 | H31 | 180.0° | 179.8° |
| C16 | C30 | C31 | N6 | 0.3° | 0.5° |
| C30 | C16 | C15 | H18 | 179.8° | 179.9° |
| C16 | C30 | C31 | H32 | 179.7° | 180.0° |
| C30 | C16 | C17 | H20 | 34.7° | 30.0° |
| C30 | C16 | C17 | H19 | 153.6° | 150.0° |
| C15 | C14 | N6 | H17 | 180.0° | 179.9° |
| C15 | C14 | N6 | C31 | 0.0° | 0.2° |
| C15 | C14 | N6 | C11 | 179.6° | 180.0° |
| C30 | C31 | N6 | C14 | 0.2° | 0.5° |
| C30 | C31 | N6 | H32 | 180.0° | 179.5° |
| C30 | C31 | N6 | C11 | 179.8° | 179.8° |
| O3 | P1 | O4 | O5 | 124.6° | 120.0° |
| O3 | P1 | O5 | P2 | 86.6° | 45.0° |
| O3 | P1 | O4 | H37 | 0.0° | 180.0° |
| O4 | P1 | O5 | P2 | 43.8° | 75.1° |
| P1 | O5 | P2 | O6 | 36.9° | 45.1° |
| P1 | O5 | P2 | O8 | 148.9° | 165.0° |
| P1 | O5 | P2 | O7 | 97.4° | 75.0° |
| O5 | P1 | O4 | H37 | 124.6° | 60.0° |
| C14 | N6 | C31 | C11 | 179.5° | 179.7° |
| C14 | N6 | C11 | C12 | 71.9° | 100.0° |
| C14 | N6 | C11 | O9 | 168.9° | 144.6° |
| C14 | N6 | C11 | H12 | 47.8° | 22.3° |
| N6 | C14 | C15 | H18 | 179.8° | 179.9° |
| C14 | N6 | C31 | H32 | 179.8° | 180.0° |
| C31 | N6 | C11 | C12 | 107.6° | 80.3° |
| C31 | N6 | C11 | O9 | 11.6° | 35.1° |
| C31 | N6 | C11 | H12 | 132.6° | 157.5° |
| C31 | N6 | C14 | H17 | 180.0° | 179.7° |
| N6 | C31 | C30 | H31 | 179.7° | 179.7° |
| O5 | P2 | O6 | O8 | 103.0° | 120.0° |
| O5 | P2 | O6 | O7 | 129.1° | 120.0° |
| O5 | P2 | O8 | O7 | 113.1° | 120.0° |
| O5 | P2 | O8 | C9 | 176.3° | 175.0° |
| O5 | P2 | O7 | H38 | 129.6° | 60.0° |
| N6 | C11 | C12 | O9 | 119.7° | 118.9° |
| N6 | C11 | C12 | H12 | 120.0° | 122.2° |
| N6 | C11 | O9 | H12 | 120.2° | 122.2° |
| N6 | C11 | C12 | C13 | 107.3° | 142.8° |
| N6 | C11 | C12 | O10 | 130.6° | 98.5° |
| N6 | C11 | O9 | C10 | 125.6° | 159.3° |
| N6 | C11 | C12 | H13 | 8.0° | 24.2° |
| C11 | N6 | C14 | H17 | 0.5° | 0.0° |
| C11 | N6 | C31 | H32 | 0.3° | 0.2° |
| O6 | P2 | O8 | O7 | 133.1° | 120.1° |
| O6 | P2 | O8 | C9 | 69.9° | 55.0° |
| O6 | P2 | O7 | H38 | 0.0° | 180.0° |
| P2 | O8 | C9 | C10 | 124.6° | 180.0° |
| P2 | O8 | C9 | H9 | 115.3° | 60.0° |
| P2 | O8 | C9 | H10 | 4.5° | 60.0° |
| O8 | P2 | O7 | H38 | 127.1° | 59.9° |
| O7 | P2 | O8 | C9 | 63.2° | 65.0° |
| O8 | C9 | C10 | O9 | 43.3° | 68.0° |
| O8 | C9 | C10 | C13 | 76.2° | 176.6° |
| O8 | C9 | C10 | H9 | 120.1° | 120.0° |
| O8 | C9 | C10 | H10 | 120.1° | 120.0° |
| O8 | C9 | H9 | H10 | 119.7° | 120.0° |
| O8 | C9 | C10 | H11 | 162.8° | 54.3° |
| C12 | C11 | O9 | H12 | 119.1° | 118.9° |
| C11 | C12 | C13 | O10 | 122.2° | 118.7° |
| C11 | C12 | C13 | H13 | 115.2° | 118.6° |
| C11 | C12 | O10 | H13 | 121.5° | 122.6° |
| C12 | C11 | O9 | C10 | 4.9° | 40.5° |
| C11 | C12 | C13 | C10 | 23.5° | 0.0° |
| C11 | C12 | C13 | O11 | 140.1° | 118.6° |
| C11 | C12 | C13 | H15 | 95.6° | 118.7° |
| C11 | C12 | O10 | H14 | 180.0° | 180.0° |
| O9 | C11 | C12 | C13 | 12.3° | 24.0° |
| O9 | C11 | C12 | O10 | 109.8° | 142.6° |
| C11 | O9 | C10 | C13 | 20.4° | 40.5° |
| C11 | O9 | C10 | C9 | 145.2° | 159.3° |
| C11 | O9 | C10 | H11 | 95.9° | 78.4° |
| O9 | C11 | C12 | H13 | 127.7° | 94.7° |
| C13 | C12 | O10 | H13 | 121.6° | 122.7° |
| C12 | C13 | C10 | O9 | 27.1° | 23.9° |
| C12 | C13 | C10 | O11 | 116.2° | 118.6° |
| C12 | C13 | C10 | H15 | 119.1° | 118.7° |
| C12 | C13 | O11 | H15 | 123.3° | 122.7° |
| C12 | C13 | C10 | C9 | 148.9° | 142.8° |
| C12 | C13 | C10 | H11 | 89.9° | 95.0° |
| C13 | C12 | C11 | H12 | 132.6° | 95.0° |
| C13 | C12 | O10 | H14 | 63.0° | 65.3° |
| C12 | C13 | O11 | H16 | 180.0° | 61.6° |
| O10 | C12 | C13 | C10 | 98.7° | 118.7° |
| O10 | C12 | C13 | O11 | 17.9° | 0.1° |
| O10 | C12 | C11 | H12 | 10.5° | 23.7° |
| O10 | C12 | C13 | H15 | 142.2° | 122.7° |
| O9 | C10 | C13 | C9 | 121.8° | 118.9° |
| O9 | C10 | C13 | H11 | 117.0° | 118.9° |
| O9 | C10 | C13 | O11 | 143.3° | 142.5° |
| O9 | C10 | C9 | H11 | 119.4° | 122.3° |
| O9 | C10 | C9 | H9 | 163.5° | 172.0° |
| O9 | C10 | C9 | H10 | 76.8° | 52.0° |
| C10 | O9 | C11 | H12 | 114.2° | 78.4° |
| O9 | C10 | C13 | H15 | 92.0° | 94.7° |
| C10 | C13 | O11 | H15 | 123.8° | 122.7° |
| C13 | C10 | C9 | H11 | 121.0° | 122.2° |
| C13 | C10 | C9 | H9 | 43.9° | 56.6° |
| C13 | C10 | C9 | H10 | 163.7° | 63.5° |
| C10 | C13 | C12 | H13 | 138.8° | 118.6° |
| C10 | C13 | O11 | H16 | 67.1° | 176.2° |
| O11 | C13 | C10 | C9 | 94.9° | 98.6° |
| O11 | C13 | C10 | H11 | 26.3° | 23.6° |
| O11 | C13 | C12 | H13 | 104.7° | 122.8° |
| C10 | C9 | H9 | H10 | 119.6° | 120.0° |
| C9 | C10 | C13 | H15 | 29.9° | 24.1° |
| H6 | C7 | C8 | H7 | 60.2° | 65.7° |
| H6 | C7 | C8 | H8 | 59.6° | 174.3° |
| H6 | C7 | C32 | H33 | 101.0° | 146.4° |
| H9 | C9 | C10 | H11 | 77.1° | 65.6° |
| H10 | C9 | C10 | H11 | 42.6° | 174.3° |
| H11 | C10 | C13 | H15 | 151.0° | 146.3° |
| H12 | C11 | C12 | H13 | 112.0° | 146.3° |
| H13 | C12 | C13 | H15 | 19.6° | 0.1° |
| H13 | C12 | O10 | H14 | 58.5° | 57.4° |
| H15 | C13 | O11 | H16 | 56.7° | 61.2° |
| H17 | C14 | C15 | H18 | 0.2° | 0.1° |
| H21 | C19 | C20 | H22 | 0.2° | 0.0° |
| H25 | C24 | C25 | H26 | 0.1° | 0.2° |
| H28 | C27 | C26 | H27 | 1.5° | 0.0° |
| H31 | C30 | C31 | H32 | 0.3° | 0.2° |
| H33 | C32 | C33 | H35 | 39.4° | 0.1° |
| H33 | C32 | O13 | H34 | 55.9° | 57.4° |
| H35 | C33 | C6 | H5 | 165.4° | 146.5° |
| H35 | C33 | O14 | H36 | 56.8° | 61.2° |
| H26 | C25 | C26 | H27 | 0.7° | 0.1° |
| H29 | C28 | C29 | H30 | 0.1° | 0.3° |
