VLO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O17 | C12 | sing | 1.44Å | 1.41Å | |
| O17 | C11 | sing | 1.44Å | 1.45Å | |
| N8 | C16 | doub | 1.30Å | 1.31Å | |
| N8 | C17 | sing | 1.34Å | 1.36Å | |
| C16 | N7 | sing | 1.36Å | 1.34Å | |
| C12 | N5 | sing | 1.46Å | 1.47Å | |
| C12 | C18 | sing | 1.55Å | 1.53Å | |
| C17 | N5 | sing | 1.37Å | 1.37Å | Aromatic |
| C17 | C14 | doub | 1.40Å | 1.38Å | Aromatic |
| N7 | C15 | sing | 1.35Å | 1.40Å | |
| N5 | C13 | sing | 1.36Å | 1.38Å | Aromatic |
| O19 | C18 | sing | 1.43Å | 1.41Å | |
| C14 | C15 | sing | 1.42Å | 1.43Å | |
| C14 | N6 | sing | 1.35Å | 1.39Å | Aromatic |
| C15 | O18 | doub | 1.22Å | 1.23Å | |
| C13 | N6 | doub | 1.30Å | 1.32Å | Aromatic |
| C11 | C10 | sing | 1.53Å | 1.51Å | |
| C11 | C19 | sing | 1.55Å | 1.54Å | |
| C18 | C19 | sing | 1.55Å | 1.53Å | |
| C10 | O16 | sing | 1.43Å | 1.45Å | |
| O16 | P4 | sing | 1.61Å | 1.61Å | |
| O15 | P4 | doub | 1.48Å | 1.51Å | |
| C19 | O20 | sing | 1.43Å | 1.42Å | |
| O14 | P4 | sing | 1.61Å | 1.51Å | |
| P4 | O13 | sing | 1.61Å | 1.61Å | |
| O13 | C9 | sing | 1.43Å | 1.44Å | |
| O4 | P1 | doub | 1.48Å | 1.49Å | |
| N1 | C1 | sing | 1.37Å | 1.34Å | |
| C9 | C8 | sing | 1.55Å | 1.53Å | |
| C9 | C5 | sing | 1.54Å | 1.53Å | |
| N9 | C1 | sing | 1.36Å | 1.38Å | |
| N9 | C20 | sing | 1.35Å | 1.40Å | |
| C1 | N2 | doub | 1.31Å | 1.34Å | |
| O3 | P1 | sing | 1.61Å | 1.49Å | |
| O21 | C20 | doub | 1.22Å | 1.24Å | |
| C20 | C3 | sing | 1.41Å | 1.42Å | |
| N2 | C2 | sing | 1.34Å | 1.36Å | |
| C8 | O12 | sing | 1.43Å | 1.42Å | |
| C8 | C6 | sing | 1.55Å | 1.54Å | |
| P1 | O2 | sing | 1.61Å | 1.61Å | |
| P1 | O5 | sing | 1.61Å | 1.60Å | |
| C3 | C2 | doub | 1.40Å | 1.38Å | Aromatic |
| C3 | N3 | sing | 1.35Å | 1.39Å | Aromatic |
| C2 | N4 | sing | 1.37Å | 1.37Å | Aromatic |
| N3 | C4 | doub | 1.30Å | 1.32Å | Aromatic |
| O2 | C7 | sing | 1.43Å | 1.45Å | |
| N4 | C5 | sing | 1.46Å | 1.49Å | |
| N4 | C4 | sing | 1.36Å | 1.38Å | Aromatic |
| C5 | O1 | sing | 1.45Å | 1.41Å | |
| O7 | P2 | doub | 1.48Å | 1.49Å | |
| C7 | C6 | sing | 1.53Å | 1.51Å | |
| C6 | O1 | sing | 1.44Å | 1.45Å | |
| O5 | P2 | sing | 1.61Å | 1.60Å | |
| O10 | P3 | doub | 1.48Å | 1.51Å | |
| P2 | O6 | sing | 1.61Å | 1.50Å | |
| P2 | O8 | sing | 1.61Å | 1.60Å | |
| P3 | O8 | sing | 1.61Å | 1.61Å | |
| P3 | O11 | sing | 1.61Å | 1.51Å | |
| P3 | O9 | sing | 1.61Å | 1.51Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| O3 | H8 | sing | 0.97Å | 0.95Å | |
| O6 | H9 | sing | 0.97Å | 0.95Å | |
| O9 | H10 | sing | 0.97Å | 0.95Å | |
| O11 | H11 | sing | 0.97Å | 0.95Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| O12 | H13 | sing | 0.97Å | 0.95Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| O14 | H15 | sing | 0.97Å | 0.95Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.08Å | 1.08Å | |
| N7 | H21 | sing | 0.97Å | 1.00Å | |
| C16 | H22 | sing | 1.08Å | 1.08Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| O19 | H24 | sing | 0.97Å | 0.95Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| O20 | H26 | sing | 0.97Å | 0.95Å | |
| N9 | H27 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | O17 | C11 | 111.0° | 105.3° |
| O17 | C12 | N5 | 108.3° | 110.4° |
| O17 | C12 | C18 | 108.1° | 104.8° |
| O17 | C12 | H19 | 109.6° | 110.4° |
| O17 | C11 | C10 | 108.9° | 110.4° |
| O17 | C11 | C19 | 105.0° | 104.8° |
| O17 | C11 | H18 | 109.5° | 110.5° |
| C16 | N8 | C17 | 112.3° | 121.2° |
| N8 | C16 | N7 | 124.8° | 122.1° |
| N8 | C16 | H22 | 117.6° | 118.9° |
| N8 | C17 | N5 | 126.5° | 134.3° |
| N8 | C17 | C14 | 127.3° | 119.6° |
| C16 | N7 | C15 | 125.5° | 120.4° |
| C16 | N7 | H21 | 117.2° | 119.7° |
| N7 | C16 | H22 | 117.6° | 119.0° |
| N5 | C12 | C18 | 113.8° | 110.4° |
| C12 | N5 | C17 | 125.8° | 126.2° |
| C12 | N5 | C13 | 127.8° | 126.3° |
| N5 | C12 | H19 | 108.9° | 110.4° |
| C12 | C18 | O19 | 111.6° | 110.5° |
| C12 | C18 | C19 | 103.2° | 104.1° |
| C18 | C12 | H19 | 108.0° | 110.4° |
| C12 | C18 | H23 | 109.2° | 110.5° |
| N5 | C17 | C14 | 106.1° | 106.1° |
| C17 | N5 | C13 | 106.5° | 107.5° |
| C17 | C14 | C15 | 119.5° | 118.4° |
| C17 | C14 | N6 | 110.2° | 107.3° |
| N7 | C15 | C14 | 110.5° | 118.2° |
| N7 | C15 | O18 | 121.4° | 120.9° |
| C15 | N7 | H21 | 117.2° | 119.8° |
| N5 | C13 | N6 | 112.5° | 109.8° |
| N5 | C13 | H20 | 123.8° | 125.1° |
| O19 | C18 | C19 | 112.4° | 110.5° |
| O19 | C18 | H23 | 110.9° | 110.6° |
| C18 | O19 | H24 | 109.5° | 114.0° |
| C15 | C14 | N6 | 130.3° | 134.3° |
| C14 | C15 | O18 | 128.2° | 120.9° |
| C14 | N6 | C13 | 104.7° | 109.3° |
| N6 | C13 | H20 | 123.8° | 125.1° |
| C10 | C11 | C19 | 116.3° | 110.3° |
| C11 | C10 | O16 | 109.3° | 109.4° |
| C11 | C10 | H16 | 109.5° | 109.5° |
| C11 | C10 | H17 | 109.5° | 109.5° |
| C10 | C11 | H18 | 108.7° | 110.3° |
| C11 | C19 | C18 | 103.4° | 104.1° |
| C11 | C19 | O20 | 111.6° | 110.6° |
| C19 | C11 | H18 | 108.3° | 110.3° |
| C11 | C19 | H25 | 109.6° | 110.5° |
| C18 | C19 | O20 | 111.2° | 110.5° |
| C19 | C18 | H23 | 109.2° | 110.5° |
| C18 | C19 | H25 | 109.6° | 110.5° |
| C10 | O16 | P4 | 121.5° | 123.0° |
| O16 | C10 | H16 | 109.5° | 109.4° |
| O16 | C10 | H17 | 109.5° | 109.5° |
| O16 | P4 | O15 | 108.7° | 109.4° |
| O16 | P4 | O14 | 107.6° | 109.5° |
| O16 | P4 | O13 | 104.0° | 109.5° |
| O15 | P4 | O14 | 117.2° | 109.5° |
| O15 | P4 | O13 | 108.3° | 109.4° |
| O20 | C19 | H25 | 111.2° | 110.6° |
| C19 | O20 | H26 | 109.5° | 114.0° |
| O14 | P4 | O13 | 110.4° | 109.5° |
| P4 | O14 | H15 | 109.5° | 114.0° |
| P4 | O13 | C9 | 119.2° | 123.0° |
| O13 | C9 | C8 | 109.4° | 110.5° |
| O13 | C9 | C5 | 111.5° | 110.5° |
| O13 | C9 | H14 | 112.0° | 110.6° |
| O4 | P1 | O3 | 118.9° | 109.4° |
| O4 | P1 | O2 | 109.4° | 109.5° |
| O4 | P1 | O5 | 107.6° | 109.5° |
| N1 | C1 | N9 | 116.5° | 119.1° |
| N1 | C1 | N2 | 119.9° | 119.0° |
| C1 | N1 | H1 | 120.0° | 120.0° |
| C1 | N1 | H2 | 120.0° | 120.0° |
| C8 | C9 | C5 | 102.4° | 104.1° |
| C9 | C8 | O12 | 113.2° | 110.5° |
| C9 | C8 | C6 | 103.2° | 104.0° |
| C9 | C8 | H12 | 109.2° | 110.6° |
| C8 | C9 | H14 | 110.6° | 110.5° |
| C9 | C5 | N4 | 116.3° | 110.4° |
| C9 | C5 | O1 | 107.1° | 104.8° |
| C9 | C5 | H4 | 107.8° | 110.5° |
| C5 | C9 | H14 | 110.6° | 110.5° |
| C1 | N9 | C20 | 125.2° | 120.3° |
| N9 | C1 | N2 | 123.5° | 121.9° |
| C1 | N9 | H27 | 117.4° | 119.8° |
| N9 | C20 | O21 | 120.2° | 120.8° |
| N9 | C20 | C3 | 111.5° | 118.4° |
| C20 | N9 | H27 | 117.4° | 119.9° |
| C1 | N2 | C2 | 112.2° | 121.1° |
| O3 | P1 | O2 | 110.3° | 109.5° |
| O3 | P1 | O5 | 108.9° | 109.5° |
| P1 | O3 | H8 | 109.5° | 114.0° |
| O21 | C20 | C3 | 128.3° | 120.8° |
| C20 | C3 | C2 | 119.5° | 118.6° |
| C20 | C3 | N3 | 130.0° | 134.2° |
| N2 | C2 | C3 | 128.1° | 119.7° |
| N2 | C2 | N4 | 126.0° | 134.2° |
| O12 | C8 | C6 | 111.0° | 110.5° |
| O12 | C8 | H12 | 110.7° | 110.5° |
| C8 | O12 | H13 | 109.5° | 114.0° |
| C8 | C6 | C7 | 116.7° | 110.4° |
| C8 | C6 | O1 | 105.5° | 104.8° |
| C8 | C6 | H5 | 108.3° | 110.3° |
| C6 | C8 | H12 | 109.1° | 110.5° |
| O2 | P1 | O5 | 99.9° | 109.5° |
| P1 | O2 | C7 | 115.1° | 123.0° |
| P1 | O5 | P2 | 134.5° | 134.0° |
| C2 | C3 | N3 | 110.5° | 107.2° |
| C3 | C2 | N4 | 105.8° | 106.1° |
| C3 | N3 | C4 | 104.6° | 109.4° |
| C2 | N4 | C5 | 127.1° | 126.3° |
| C2 | N4 | C4 | 106.5° | 107.5° |
| N3 | C4 | N4 | 112.6° | 109.8° |
| N3 | C4 | H3 | 123.7° | 125.1° |
| O2 | C7 | C6 | 111.0° | 109.5° |
| O2 | C7 | H6 | 109.1° | 109.5° |
| O2 | C7 | H7 | 109.1° | 109.5° |
| C5 | N4 | C4 | 126.4° | 126.3° |
| N4 | C5 | O1 | 107.9° | 110.4° |
| N4 | C5 | H4 | 108.3° | 110.4° |
| N4 | C4 | H3 | 123.7° | 125.1° |
| C5 | O1 | C6 | 111.0° | 105.3° |
| O1 | C5 | H4 | 109.3° | 110.3° |
| O7 | P2 | O5 | 109.6° | 109.5° |
| O7 | P2 | O6 | 119.4° | 109.5° |
| O7 | P2 | O8 | 108.8° | 109.5° |
| C7 | C6 | O1 | 108.0° | 110.4° |
| C7 | C6 | H5 | 108.7° | 110.4° |
| C6 | C7 | H6 | 109.1° | 109.5° |
| C6 | C7 | H7 | 109.1° | 109.5° |
| O1 | C6 | H5 | 109.5° | 110.4° |
| O5 | P2 | O6 | 109.8° | 109.5° |
| O5 | P2 | O8 | 98.0° | 109.5° |
| O10 | P3 | O8 | 108.8° | 109.5° |
| O10 | P3 | O11 | 112.6° | 109.5° |
| O10 | P3 | O9 | 112.0° | 109.4° |
| O6 | P2 | O8 | 109.2° | 109.5° |
| P2 | O6 | H9 | 109.5° | 114.0° |
| P2 | O8 | P3 | 133.8° | 134.0° |
| O8 | P3 | O11 | 104.3° | 109.5° |
| O8 | P3 | O9 | 104.9° | 109.4° |
| O11 | P3 | O9 | 113.6° | 109.5° |
| P3 | O11 | H11 | 109.5° | 114.0° |
| P3 | O9 | H10 | 109.5° | 114.0° |
| H1 | N1 | H2 | 120.0° | 119.9° |
| H6 | C7 | H7 | 109.5° | 109.4° |
| H16 | C10 | H17 | 109.4° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O17 | C12 | N5 | C18 | 120.3° | 115.3° |
| O17 | C12 | N5 | H19 | 119.1° | 122.3° |
| O17 | C12 | C18 | H19 | 118.6° | 118.9° |
| O17 | C12 | N5 | C17 | 163.4° | 156.7° |
| O17 | C12 | N5 | C13 | 15.8° | 23.5° |
| O17 | C12 | C18 | O19 | 102.0° | 142.7° |
| C12 | O17 | C11 | C10 | 143.2° | 159.3° |
| C12 | O17 | C11 | C19 | 18.0° | 40.5° |
| O17 | C12 | C18 | C19 | 19.0° | 24.0° |
| C12 | O17 | C11 | H18 | 98.1° | 78.3° |
| O17 | C12 | C18 | H23 | 135.1° | 94.6° |
| C11 | O17 | C12 | N5 | 123.1° | 159.3° |
| C11 | O17 | C12 | C18 | 0.7° | 40.5° |
| O17 | C11 | C10 | C19 | 118.3° | 115.4° |
| O17 | C11 | C10 | H18 | 119.2° | 122.5° |
| O17 | C11 | C19 | H18 | 116.9° | 119.0° |
| O17 | C11 | C19 | C18 | 29.0° | 24.0° |
| O17 | C11 | C10 | O16 | 32.7° | 69.7° |
| O17 | C11 | C19 | O20 | 148.6° | 142.6° |
| O17 | C11 | C10 | H16 | 87.2° | 50.3° |
| O17 | C11 | C10 | H17 | 152.7° | 170.4° |
| C11 | O17 | C12 | H19 | 118.3° | 78.4° |
| O17 | C11 | C19 | H25 | 87.8° | 94.6° |
| N8 | C16 | N7 | H22 | 180.0° | 180.0° |
| C16 | N8 | C17 | N5 | 179.7° | 179.6° |
| C16 | N8 | C17 | C14 | 0.1° | 0.6° |
| N8 | C16 | N7 | C15 | 0.3° | 0.0° |
| N8 | C16 | N7 | H21 | 179.7° | 179.9° |
| C17 | N8 | C16 | N7 | 0.1° | 0.3° |
| N8 | C17 | N5 | C12 | 0.9° | 0.8° |
| N8 | C17 | N5 | C14 | 179.7° | 179.0° |
| N8 | C17 | N5 | C13 | 179.8° | 179.4° |
| N8 | C17 | C14 | C15 | 0.1° | 0.6° |
| N8 | C17 | C14 | N6 | 179.7° | 179.6° |
| C17 | N8 | C16 | H22 | 179.9° | 179.7° |
| C16 | N7 | C15 | H21 | 180.0° | 179.9° |
| C16 | N7 | C15 | C14 | 0.3° | 0.1° |
| C16 | N7 | C15 | O18 | 179.5° | 180.0° |
| N5 | C12 | C18 | H19 | 121.0° | 122.3° |
| C12 | N5 | C17 | C13 | 179.3° | 179.8° |
| C12 | N5 | C17 | C14 | 179.4° | 179.8° |
| N5 | C12 | C18 | O19 | 137.7° | 98.5° |
| C12 | N5 | C13 | N6 | 179.5° | 180.0° |
| N5 | C12 | C18 | C19 | 101.4° | 142.8° |
| C12 | N5 | C13 | H20 | 0.6° | 0.1° |
| N5 | C12 | C18 | H23 | 14.7° | 24.2° |
| C18 | C12 | N5 | C17 | 76.3° | 87.9° |
| C18 | C12 | N5 | C13 | 104.5° | 91.8° |
| C12 | C18 | O19 | C19 | 115.4° | 114.7° |
| C12 | C18 | O19 | H23 | 122.0° | 122.6° |
| C12 | C18 | C19 | C11 | 28.8° | 0.0° |
| C12 | C18 | C19 | H23 | 116.1° | 118.6° |
| C12 | C18 | C19 | O20 | 148.6° | 118.7° |
| C12 | C18 | O19 | H24 | 180.0° | 180.0° |
| C12 | C18 | C19 | H25 | 88.0° | 118.6° |
| N5 | C17 | C14 | C15 | 179.8° | 179.8° |
| N5 | C17 | C14 | N6 | 0.0° | 0.4° |
| C17 | N5 | C13 | N6 | 0.2° | 0.2° |
| C17 | N5 | C12 | H19 | 44.3° | 34.4° |
| C17 | N5 | C13 | H20 | 179.9° | 179.7° |
| C17 | C14 | C15 | N7 | 0.1° | 0.3° |
| C14 | C17 | N5 | C13 | 0.1° | 0.4° |
| C17 | C14 | C15 | N6 | 179.8° | 179.7° |
| C17 | C14 | C15 | O18 | 179.7° | 179.7° |
| C17 | C14 | N6 | C13 | 0.1° | 0.3° |
| N7 | C15 | C14 | O18 | 179.8° | 180.0° |
| N7 | C15 | C14 | N6 | 179.9° | 180.0° |
| C15 | N7 | C16 | H22 | 179.6° | 179.9° |
| N5 | C13 | N6 | C14 | 0.1° | 0.0° |
| N5 | C13 | N6 | H20 | 180.0° | 180.0° |
| C13 | N5 | C12 | H19 | 134.9° | 145.8° |
| O19 | C18 | C19 | C11 | 91.6° | 118.6° |
| O19 | C18 | C19 | H23 | 123.5° | 122.8° |
| O19 | C18 | C19 | O20 | 28.2° | 0.0° |
| O19 | C18 | C12 | H19 | 16.6° | 23.8° |
| O19 | C18 | C19 | H25 | 151.6° | 122.7° |
| C15 | C14 | N6 | C13 | 179.9° | 180.0° |
| C14 | C15 | N7 | H21 | 179.7° | 179.9° |
| N6 | C14 | C15 | O18 | 0.1° | 0.0° |
| C14 | N6 | C13 | H20 | 179.9° | 180.0° |
| O18 | C15 | N7 | H21 | 0.5° | 0.1° |
| C10 | C11 | C19 | H18 | 122.6° | 122.2° |
| C10 | C11 | C19 | C18 | 149.4° | 142.8° |
| C11 | C10 | O16 | H16 | 120.0° | 120.0° |
| C11 | C10 | O16 | H17 | 120.0° | 119.9° |
| C11 | C10 | O16 | P4 | 161.1° | 180.0° |
| C10 | C11 | C19 | O20 | 91.0° | 98.6° |
| C11 | C10 | H16 | H17 | 120.1° | 120.1° |
| C10 | C11 | C19 | H25 | 32.6° | 24.2° |
| C11 | C19 | C18 | O20 | 119.9° | 118.7° |
| C11 | C19 | C18 | H25 | 116.8° | 118.6° |
| C19 | C11 | C10 | O16 | 85.6° | 175.0° |
| C11 | C19 | O20 | H25 | 122.6° | 122.7° |
| C19 | C11 | C10 | H16 | 154.5° | 65.1° |
| C19 | C11 | C10 | H17 | 34.4° | 55.0° |
| C11 | C19 | C18 | H23 | 144.9° | 118.6° |
| C11 | C19 | O20 | H26 | 180.0° | 180.0° |
| C18 | C19 | O20 | H25 | 122.5° | 122.6° |
| C18 | C19 | C11 | H18 | 87.9° | 95.0° |
| C19 | C18 | C12 | H19 | 137.6° | 94.9° |
| C19 | C18 | O19 | H24 | 64.6° | 65.4° |
| C18 | C19 | O20 | H26 | 65.1° | 65.3° |
| C10 | O16 | P4 | O15 | 58.8° | 55.1° |
| C10 | O16 | P4 | O14 | 173.4° | 65.0° |
| C10 | O16 | P4 | O13 | 56.3° | 175.0° |
| O16 | C10 | H16 | H17 | 120.1° | 120.0° |
| O16 | C10 | C11 | H18 | 152.0° | 52.8° |
| O16 | P4 | O15 | O14 | 122.1° | 120.1° |
| O16 | P4 | O15 | O13 | 112.3° | 119.9° |
| O16 | P4 | O14 | O13 | 112.8° | 120.0° |
| O16 | P4 | O13 | C9 | 49.8° | 175.0° |
| O16 | P4 | O14 | H15 | 122.7° | 60.0° |
| P4 | O16 | C10 | H16 | 78.9° | 60.1° |
| P4 | O16 | C10 | H17 | 41.2° | 60.0° |
| O15 | P4 | O14 | O13 | 124.5° | 120.0° |
| O15 | P4 | O13 | C9 | 165.3° | 55.1° |
| O15 | P4 | O14 | H15 | 0.0° | 180.0° |
| O20 | C19 | C11 | H18 | 31.7° | 23.6° |
| O20 | C19 | C18 | H23 | 95.2° | 122.7° |
| O14 | P4 | O13 | C9 | 65.3° | 65.0° |
| P4 | O13 | C9 | C8 | 130.4° | 121.4° |
| P4 | O13 | C9 | C5 | 117.1° | 123.9° |
| P4 | O13 | C9 | H14 | 7.5° | 1.3° |
| O13 | P4 | O14 | H15 | 124.5° | 60.1° |
| O13 | C9 | C8 | C5 | 118.3° | 118.6° |
| O13 | C9 | C8 | H14 | 123.8° | 122.7° |
| O13 | C9 | C5 | H14 | 125.3° | 122.7° |
| O13 | C9 | C8 | O12 | 30.6° | 0.0° |
| O13 | C9 | C8 | C6 | 150.7° | 118.6° |
| O13 | C9 | C5 | N4 | 94.2° | 98.6° |
| O13 | C9 | C5 | O1 | 145.1° | 142.6° |
| O13 | C9 | C5 | H4 | 27.6° | 23.8° |
| O13 | C9 | C8 | H12 | 93.3° | 122.7° |
| O4 | P1 | O3 | O2 | 127.6° | 120.0° |
| O4 | P1 | O3 | O5 | 123.7° | 120.0° |
| O4 | P1 | O2 | O5 | 112.8° | 120.0° |
| O4 | P1 | O2 | C7 | 41.2° | 55.0° |
| O4 | P1 | O5 | P2 | 86.5° | 40.0° |
| O4 | P1 | O3 | H8 | 0.0° | 180.0° |
| N1 | C1 | N9 | N2 | 179.8° | 179.7° |
| N1 | C1 | N9 | C20 | 179.9° | 179.7° |
| N1 | C1 | N2 | C2 | 179.9° | 180.0° |
| C1 | N1 | H1 | H2 | 180.0° | 179.7° |
| N1 | C1 | N9 | H27 | 0.1° | 0.1° |
| C8 | C9 | C5 | H14 | 117.9° | 118.6° |
| C9 | C8 | O12 | C6 | 115.6° | 114.6° |
| C9 | C8 | O12 | H12 | 123.1° | 122.8° |
| C9 | C8 | C6 | H12 | 116.1° | 118.7° |
| C8 | C9 | C5 | N4 | 149.0° | 142.8° |
| C8 | C9 | C5 | O1 | 28.3° | 24.0° |
| C9 | C8 | C6 | C7 | 93.9° | 142.9° |
| C9 | C8 | C6 | O1 | 26.0° | 24.0° |
| C8 | C9 | C5 | H4 | 89.2° | 94.9° |
| C9 | C8 | C6 | H5 | 143.1° | 94.8° |
| C9 | C8 | O12 | H13 | 180.0° | 176.1° |
| C5 | C9 | C8 | O12 | 87.7° | 118.6° |
| C5 | C9 | C8 | C6 | 32.4° | 0.0° |
| C9 | C5 | N4 | C2 | 65.8° | 88.2° |
| C9 | C5 | N4 | O1 | 120.3° | 115.4° |
| C9 | C5 | N4 | H4 | 121.5° | 122.4° |
| C9 | C5 | N4 | C4 | 116.0° | 91.8° |
| C9 | C5 | O1 | H4 | 116.5° | 118.9° |
| C9 | C5 | O1 | C6 | 12.5° | 40.5° |
| C5 | C9 | C8 | H12 | 148.4° | 118.7° |
| C1 | N9 | C20 | H27 | 180.0° | 179.6° |
| C1 | N9 | C20 | O21 | 180.0° | 179.7° |
| C1 | N9 | C20 | C3 | 0.2° | 0.6° |
| N9 | C1 | N2 | C2 | 0.2° | 0.2° |
| N9 | C1 | N1 | H1 | 179.8° | 179.7° |
| N9 | C1 | N1 | H2 | 0.1° | 0.6° |
| C20 | N9 | C1 | N2 | 0.1° | 0.6° |
| N9 | C20 | O21 | C3 | 179.7° | 179.7° |
| N9 | C20 | C3 | C2 | 0.3° | 0.3° |
| N9 | C20 | C3 | N3 | 179.9° | 179.7° |
| C1 | N2 | C2 | C3 | 0.2° | 0.1° |
| C1 | N2 | C2 | N4 | 179.5° | 180.0° |
| N2 | C1 | N1 | H1 | 0.0° | 0.0° |
| N2 | C1 | N1 | H2 | 180.0° | 179.7° |
| N2 | C1 | N9 | H27 | 179.9° | 179.8° |
| O3 | P1 | O2 | O5 | 114.6° | 120.0° |
| O3 | P1 | O2 | C7 | 173.8° | 65.0° |
| O3 | P1 | O5 | P2 | 43.7° | 80.0° |
| O21 | C20 | C3 | C2 | 180.0° | 180.0° |
| O21 | C20 | C3 | N3 | 0.3° | 0.0° |
| O21 | C20 | N9 | H27 | 0.0° | 0.1° |
| C20 | C3 | C2 | N2 | 0.1° | 0.0° |
| C20 | C3 | C2 | N3 | 179.7° | 180.0° |
| C20 | C3 | C2 | N4 | 179.9° | 180.0° |
| C20 | C3 | N3 | C4 | 179.7° | 180.0° |
| C3 | C20 | N9 | H27 | 179.8° | 179.8° |
| N2 | C2 | C3 | N4 | 179.7° | 180.0° |
| N2 | C2 | C3 | N3 | 179.8° | 180.0° |
| N2 | C2 | N4 | C5 | 1.1° | 0.0° |
| N2 | C2 | N4 | C4 | 179.6° | 180.0° |
| O12 | C8 | C6 | H12 | 122.3° | 122.6° |
| O12 | C8 | C6 | C7 | 144.4° | 98.5° |
| O12 | C8 | C6 | O1 | 95.6° | 142.6° |
| O12 | C8 | C6 | H5 | 21.5° | 23.8° |
| O12 | C8 | C9 | H14 | 154.4° | 122.8° |
| C8 | C6 | C7 | O2 | 63.3° | 178.1° |
| C8 | C6 | O1 | C5 | 8.7° | 40.5° |
| C8 | C6 | C7 | O1 | 118.5° | 115.4° |
| C8 | C6 | C7 | H5 | 122.8° | 122.3° |
| C8 | C6 | O1 | H5 | 116.4° | 118.8° |
| C8 | C6 | C7 | H6 | 176.5° | 58.1° |
| C8 | C6 | C7 | H7 | 56.9° | 61.9° |
| C6 | C8 | O12 | H13 | 64.4° | 61.5° |
| C6 | C8 | C9 | H14 | 85.5° | 118.6° |
| P1 | O2 | C7 | C6 | 172.8° | 180.0° |
| O2 | P1 | O5 | P2 | 159.3° | 160.0° |
| P1 | O2 | C7 | H6 | 67.0° | 60.0° |
| P1 | O2 | C7 | H7 | 52.6° | 59.9° |
| O2 | P1 | O3 | H8 | 127.5° | 60.0° |
| O5 | P1 | O2 | C7 | 71.6° | 175.0° |
| P1 | O5 | P2 | O7 | 1.2° | 40.0° |
| P1 | O5 | P2 | O6 | 131.7° | 80.0° |
| P1 | O5 | P2 | O8 | 114.5° | 160.0° |
| O5 | P1 | O3 | H8 | 123.7° | 60.1° |
| C2 | C3 | N3 | C4 | 0.0° | 0.0° |
| C3 | C2 | N4 | C5 | 179.1° | 180.0° |
| C3 | C2 | N4 | C4 | 0.6° | 0.0° |
| N3 | C3 | C2 | N4 | 0.4° | 0.0° |
| C3 | N3 | C4 | N4 | 0.4° | 0.0° |
| C3 | N3 | C4 | H3 | 179.6° | 180.0° |
| C2 | N4 | C4 | N3 | 0.7° | 0.0° |
| C2 | N4 | C5 | C4 | 178.2° | 180.0° |
| C2 | N4 | C5 | O1 | 54.5° | 156.5° |
| C2 | N4 | C4 | H3 | 179.3° | 180.0° |
| C2 | N4 | C5 | H4 | 172.7° | 34.3° |
| N3 | C4 | N4 | C5 | 179.2° | 180.0° |
| N3 | C4 | N4 | H3 | 180.0° | 180.0° |
| O2 | C7 | C6 | H6 | 120.3° | 120.0° |
| O2 | C7 | C6 | H7 | 120.2° | 120.0° |
| O2 | C7 | C6 | O1 | 178.2° | 66.5° |
| O2 | C7 | C6 | H5 | 59.5° | 55.8° |
| O2 | C7 | H6 | H7 | 119.3° | 120.0° |
| N4 | C5 | O1 | H4 | 117.6° | 122.2° |
| N4 | C5 | O1 | C6 | 138.4° | 159.4° |
| C5 | N4 | C4 | H3 | 0.8° | 0.0° |
| N4 | C5 | C9 | H14 | 31.1° | 24.2° |
| C4 | N4 | C5 | O1 | 123.7° | 23.6° |
| C4 | N4 | C5 | H4 | 5.5° | 145.8° |
| C5 | O1 | C6 | C7 | 116.8° | 159.4° |
| C5 | O1 | C6 | H5 | 125.1° | 78.3° |
| O1 | C5 | C9 | H14 | 89.6° | 94.7° |
| O7 | P2 | O5 | O6 | 133.0° | 120.0° |
| O7 | P2 | O5 | O8 | 113.2° | 120.0° |
| O7 | P2 | O6 | O8 | 126.0° | 120.0° |
| O7 | P2 | O8 | P3 | 50.8° | 45.0° |
| O7 | P2 | O6 | H9 | 0.0° | 180.0° |
| C7 | C6 | O1 | H5 | 118.2° | 122.3° |
| C6 | C7 | H6 | H7 | 119.3° | 120.0° |
| C7 | C6 | C8 | H12 | 22.1° | 24.1° |
| C6 | O1 | C5 | H4 | 104.0° | 78.4° |
| O1 | C6 | C7 | H6 | 57.9° | 173.5° |
| O1 | C6 | C7 | H7 | 61.6° | 53.5° |
| O1 | C6 | C8 | H12 | 142.1° | 94.7° |
| O5 | P2 | O6 | O8 | 106.3° | 120.0° |
| O5 | P2 | O8 | P3 | 63.1° | 165.0° |
| O5 | P2 | O6 | H9 | 127.7° | 60.0° |
| O10 | P3 | O8 | P2 | 10.9° | 40.1° |
| O10 | P3 | O8 | O11 | 120.3° | 120.1° |
| O10 | P3 | O8 | O9 | 120.0° | 119.9° |
| O10 | P3 | O11 | O9 | 128.6° | 120.0° |
| O10 | P3 | O9 | H10 | 0.0° | 60.0° |
| O10 | P3 | O11 | H11 | 0.0° | 179.9° |
| O6 | P2 | O8 | P3 | 177.4° | 75.0° |
| P2 | O8 | P3 | O11 | 109.4° | 80.0° |
| P2 | O8 | P3 | O9 | 130.9° | 160.0° |
| O8 | P2 | O6 | H9 | 126.0° | 60.0° |
| O8 | P3 | O11 | O9 | 113.6° | 120.0° |
| O8 | P3 | O9 | H10 | 117.8° | 180.0° |
| O8 | P3 | O11 | H11 | 117.8° | 60.0° |
| O11 | P3 | O9 | H10 | 128.9° | 60.0° |
| O9 | P3 | O11 | H11 | 128.6° | 59.9° |
| H4 | C5 | C9 | H14 | 152.9° | 146.5° |
| H5 | C6 | C7 | H6 | 60.8° | 64.2° |
| H5 | C6 | C7 | H7 | 179.7° | 175.8° |
| H5 | C6 | C8 | H12 | 100.8° | 146.4° |
| H12 | C8 | O12 | H13 | 56.9° | 61.2° |
| H12 | C8 | C9 | H14 | 30.5° | 0.1° |
| H16 | C10 | C11 | H18 | 32.0° | 172.7° |
| H17 | C10 | C11 | H18 | 88.0° | 67.1° |
| H18 | C11 | C19 | H25 | 155.2° | 146.4° |
| H19 | C12 | C18 | H23 | 106.3° | 146.5° |
| H21 | N7 | C16 | H22 | 0.4° | 0.1° |
| H23 | C18 | O19 | H24 | 58.0° | 57.3° |
| H23 | C18 | C19 | H25 | 28.1° | 0.0° |
| H25 | C19 | O20 | H26 | 57.4° | 57.3° |
