RZV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C1 | sing | 1.51Å | 1.50Å | |
| O2 | C1 | doub | 1.21Å | 1.25Å | |
| C1 | N4 | sing | 1.35Å | 1.35Å | |
| O13 | C11 | doub | 1.21Å | 1.26Å | |
| N4 | C5 | sing | 1.46Å | 1.47Å | |
| C11 | C10 | sing | 1.51Å | 1.52Å | |
| C11 | O12 | sing | 1.34Å | 1.25Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C5 | C9 | sing | 1.53Å | 1.53Å | |
| C5 | P6 | sing | 1.82Å | 1.83Å | |
| O8 | P6 | doub | 1.48Å | 1.51Å | |
| P6 | O7 | sing | 1.61Å | 1.50Å | |
| P6 | C14 | sing | 1.82Å | 1.82Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| O17 | C16 | doub | 1.21Å | 1.24Å | |
| C15 | C16 | sing | 1.51Å | 1.52Å | |
| C15 | C19 | sing | 1.53Å | 1.55Å | |
| C16 | O18 | sing | 1.34Å | 1.25Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| O23 | C21 | doub | 1.21Å | 1.26Å | |
| C20 | C21 | sing | 1.51Å | 1.53Å | |
| C21 | O22 | sing | 1.34Å | 1.25Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C14 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C19 | H7 | sing | 1.09Å | 1.10Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| N4 | H16 | sing | 0.97Å | 1.00Å | |
| O12 | H17 | sing | 0.97Å | 0.95Å | |
| O18 | H18 | sing | 0.97Å | 0.95Å | |
| O22 | H19 | sing | 0.97Å | 0.95Å | |
| O7 | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C1 | O2 | 121.6° | 120.0° |
| C3 | C1 | N4 | 114.1° | 120.0° |
| C1 | C3 | H11 | 109.5° | 109.5° |
| C1 | C3 | H12 | 109.5° | 109.4° |
| C1 | C3 | H13 | 109.5° | 109.5° |
| O2 | C1 | N4 | 124.3° | 120.0° |
| C1 | N4 | C5 | 125.8° | 120.0° |
| C1 | N4 | H16 | 117.1° | 120.0° |
| O13 | C11 | C10 | 119.4° | 120.0° |
| O13 | C11 | O12 | 122.3° | 120.0° |
| N4 | C5 | C9 | 111.2° | 109.5° |
| N4 | C5 | P6 | 109.1° | 109.5° |
| N4 | C5 | H1 | 110.4° | 109.5° |
| C5 | N4 | H16 | 117.1° | 120.0° |
| C10 | C11 | O12 | 118.3° | 120.0° |
| C11 | C10 | C9 | 112.6° | 109.4° |
| C11 | C10 | H2 | 108.7° | 109.5° |
| C11 | C10 | H3 | 108.7° | 109.5° |
| C11 | O12 | H17 | 109.5° | 116.9° |
| C10 | C9 | C5 | 112.7° | 109.5° |
| C9 | C10 | H2 | 108.7° | 109.4° |
| C9 | C10 | H3 | 108.7° | 109.5° |
| C10 | C9 | H14 | 108.7° | 109.5° |
| C10 | C9 | H15 | 108.6° | 109.5° |
| C9 | C5 | P6 | 110.4° | 109.4° |
| C9 | C5 | H1 | 109.4° | 109.5° |
| C5 | C9 | H14 | 108.7° | 109.4° |
| C5 | C9 | H15 | 108.7° | 109.5° |
| C5 | P6 | O8 | 108.9° | 109.5° |
| C5 | P6 | O7 | 108.1° | 109.5° |
| C5 | P6 | C14 | 112.7° | 109.4° |
| P6 | C5 | H1 | 106.2° | 109.5° |
| O8 | P6 | O7 | 107.5° | 109.5° |
| O8 | P6 | C14 | 110.2° | 109.4° |
| O7 | P6 | C14 | 109.3° | 109.5° |
| P6 | O7 | H20 | 109.5° | 114.0° |
| P6 | C14 | C15 | 117.1° | 109.5° |
| P6 | C14 | H4 | 107.5° | 109.4° |
| P6 | C14 | H5 | 107.5° | 109.5° |
| C14 | C15 | C16 | 110.4° | 109.5° |
| C14 | C15 | C19 | 104.2° | 109.4° |
| C15 | C14 | H4 | 107.5° | 109.5° |
| C15 | C14 | H5 | 107.5° | 109.5° |
| C14 | C15 | H6 | 108.5° | 109.5° |
| O17 | C16 | C15 | 118.3° | 120.0° |
| O17 | C16 | O18 | 118.7° | 120.0° |
| C16 | C15 | C19 | 116.3° | 109.5° |
| C15 | C16 | O18 | 123.0° | 120.0° |
| C16 | C15 | H6 | 108.7° | 109.5° |
| C15 | C19 | C20 | 120.0° | 109.5° |
| C19 | C15 | H6 | 108.4° | 109.5° |
| C15 | C19 | H7 | 106.8° | 109.5° |
| C15 | C19 | H8 | 106.8° | 109.5° |
| C16 | O18 | H18 | 109.5° | 117.1° |
| C19 | C20 | C21 | 111.0° | 109.5° |
| C20 | C19 | H7 | 106.8° | 109.5° |
| C20 | C19 | H8 | 106.7° | 109.4° |
| C19 | C20 | H9 | 109.1° | 109.5° |
| C19 | C20 | H10 | 109.1° | 109.4° |
| O23 | C21 | C20 | 120.4° | 120.0° |
| O23 | C21 | O22 | 121.1° | 120.0° |
| C20 | C21 | O22 | 118.5° | 120.0° |
| C21 | C20 | H9 | 109.1° | 109.5° |
| C21 | C20 | H10 | 109.1° | 109.5° |
| C21 | O22 | H19 | 109.5° | 116.9° |
| H2 | C10 | H3 | 109.5° | 109.5° |
| H4 | C14 | H5 | 109.5° | 109.5° |
| H7 | C19 | H8 | 109.5° | 109.5° |
| H9 | C20 | H10 | 109.5° | 109.5° |
| H11 | C3 | H12 | 109.4° | 109.5° |
| H11 | C3 | H13 | 109.4° | 109.5° |
| H12 | C3 | H13 | 109.5° | 109.5° |
| H14 | C9 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C1 | O2 | N4 | 179.1° | 179.9° |
| C3 | C1 | N4 | C5 | 31.5° | 175.0° |
| C1 | C3 | H11 | H12 | 120.0° | 119.9° |
| C1 | C3 | H11 | H13 | 120.0° | 120.0° |
| C1 | C3 | H12 | H13 | 120.0° | 120.0° |
| C3 | C1 | N4 | H16 | 148.4° | 5.1° |
| O2 | C1 | N4 | C5 | 149.3° | 5.0° |
| O2 | C1 | C3 | H11 | 0.0° | 89.9° |
| O2 | C1 | C3 | H12 | 120.0° | 30.0° |
| O2 | C1 | C3 | H13 | 120.0° | 150.0° |
| O2 | C1 | N4 | H16 | 30.7° | 175.0° |
| C1 | N4 | C5 | H16 | 180.0° | 180.0° |
| C1 | N4 | C5 | C9 | 115.9° | 135.3° |
| C1 | N4 | C5 | P6 | 122.1° | 104.7° |
| C1 | N4 | C5 | H1 | 5.7° | 15.3° |
| N4 | C1 | C3 | H11 | 179.2° | 90.0° |
| N4 | C1 | C3 | H12 | 59.1° | 150.0° |
| N4 | C1 | C3 | H13 | 60.8° | 30.1° |
| O13 | C11 | C10 | O12 | 179.3° | 180.0° |
| O13 | C11 | C10 | C9 | 160.1° | 0.0° |
| O13 | C11 | C10 | H2 | 39.6° | 120.0° |
| O13 | C11 | C10 | H3 | 79.4° | 120.0° |
| O13 | C11 | O12 | H17 | 0.0° | 0.0° |
| N4 | C5 | C9 | C10 | 101.7° | 180.0° |
| N4 | C5 | C9 | P6 | 121.3° | 120.0° |
| N4 | C5 | C9 | H1 | 122.2° | 120.0° |
| N4 | C5 | P6 | H1 | 119.0° | 120.0° |
| N4 | C5 | P6 | O8 | 75.0° | 66.3° |
| N4 | C5 | P6 | O7 | 41.5° | 173.6° |
| N4 | C5 | P6 | C14 | 162.4° | 53.7° |
| N4 | C5 | C9 | H14 | 137.8° | 60.0° |
| N4 | C5 | C9 | H15 | 18.8° | 60.0° |
| C11 | C10 | C9 | H2 | 120.5° | 120.0° |
| C11 | C10 | C9 | H3 | 120.5° | 120.1° |
| C11 | C10 | C9 | C5 | 147.3° | 180.0° |
| C11 | C10 | H2 | H3 | 118.6° | 120.1° |
| C11 | C10 | C9 | H14 | 92.2° | 60.0° |
| C11 | C10 | C9 | H15 | 26.8° | 60.0° |
| C10 | C11 | O12 | H17 | 179.3° | 180.0° |
| O12 | C11 | C10 | C9 | 20.6° | 180.0° |
| O12 | C11 | C10 | H2 | 141.0° | 60.0° |
| O12 | C11 | C10 | H3 | 99.9° | 60.0° |
| C10 | C9 | C5 | H14 | 120.5° | 120.0° |
| C10 | C9 | C5 | H15 | 120.5° | 120.0° |
| C10 | C9 | C5 | P6 | 137.1° | 60.0° |
| C10 | C9 | C5 | H1 | 20.5° | 60.0° |
| C9 | C10 | H2 | H3 | 118.6° | 120.0° |
| C10 | C9 | H14 | H15 | 118.5° | 120.0° |
| C9 | C5 | P6 | H1 | 118.5° | 120.0° |
| C9 | C5 | P6 | O8 | 162.5° | 53.7° |
| C9 | C5 | P6 | O7 | 81.0° | 66.4° |
| C9 | C5 | P6 | C14 | 40.0° | 173.7° |
| C5 | C9 | C10 | H2 | 26.8° | 60.0° |
| C5 | C9 | C10 | H3 | 92.3° | 60.0° |
| C5 | C9 | H14 | H15 | 118.5° | 120.0° |
| C9 | C5 | N4 | H16 | 64.0° | 44.7° |
| C5 | P6 | O8 | O7 | 116.9° | 120.1° |
| C5 | P6 | O8 | C14 | 124.1° | 120.0° |
| C5 | P6 | O7 | C14 | 123.0° | 120.0° |
| C5 | P6 | C14 | C15 | 173.5° | 174.5° |
| C5 | P6 | C14 | H4 | 65.4° | 65.5° |
| C5 | P6 | C14 | H5 | 52.4° | 54.5° |
| P6 | C5 | C9 | H14 | 16.6° | 180.0° |
| P6 | C5 | C9 | H15 | 102.5° | 60.0° |
| P6 | C5 | N4 | H16 | 58.0° | 75.2° |
| C5 | P6 | O7 | H20 | 117.4° | 60.0° |
| O8 | P6 | O7 | C14 | 119.5° | 120.0° |
| O8 | P6 | C14 | C15 | 64.6° | 54.5° |
| O8 | P6 | C5 | H1 | 44.0° | 173.7° |
| O8 | P6 | C14 | H4 | 56.5° | 174.5° |
| O8 | P6 | C14 | H5 | 174.3° | 65.5° |
| O8 | P6 | O7 | H20 | 0.0° | 179.9° |
| O7 | P6 | C14 | C15 | 53.3° | 65.5° |
| O7 | P6 | C5 | H1 | 160.5° | 53.6° |
| O7 | P6 | C14 | H4 | 174.3° | 54.5° |
| O7 | P6 | C14 | H5 | 67.8° | 174.5° |
| P6 | C14 | C15 | H4 | 121.1° | 120.0° |
| P6 | C14 | C15 | H5 | 121.1° | 120.0° |
| P6 | C14 | C15 | C16 | 74.4° | 75.0° |
| P6 | C14 | C15 | C19 | 160.0° | 165.0° |
| C14 | P6 | C5 | H1 | 78.6° | 66.4° |
| P6 | C14 | H4 | H5 | 116.5° | 120.0° |
| P6 | C14 | C15 | H6 | 44.7° | 45.0° |
| C14 | P6 | O7 | H20 | 119.5° | 60.0° |
| C14 | C15 | C16 | O17 | 5.2° | 0.0° |
| C14 | C15 | C16 | C19 | 118.4° | 120.0° |
| C14 | C15 | C16 | H6 | 118.9° | 120.0° |
| C14 | C15 | C19 | H6 | 115.5° | 120.0° |
| C14 | C15 | C16 | O18 | 175.7° | 180.0° |
| C14 | C15 | C19 | C20 | 156.0° | 175.0° |
| C15 | C14 | H4 | H5 | 116.5° | 120.0° |
| C14 | C15 | C19 | H7 | 82.5° | 55.0° |
| C14 | C15 | C19 | H8 | 34.5° | 65.0° |
| O17 | C16 | C15 | O18 | 179.0° | 180.0° |
| O17 | C16 | C15 | C19 | 123.7° | 120.0° |
| O17 | C16 | C15 | H6 | 113.7° | 120.0° |
| O17 | C16 | O18 | H18 | 0.0° | 0.0° |
| C16 | C15 | C19 | H6 | 122.8° | 120.0° |
| C16 | C15 | C19 | C20 | 34.3° | 65.0° |
| C16 | C15 | C14 | H4 | 164.5° | 45.0° |
| C16 | C15 | C14 | H5 | 46.7° | 165.0° |
| C16 | C15 | C19 | H7 | 155.7° | 175.0° |
| C16 | C15 | C19 | H8 | 87.2° | 55.0° |
| C15 | C16 | O18 | H18 | 179.0° | 180.0° |
| C19 | C15 | C16 | O18 | 57.3° | 60.0° |
| C15 | C19 | C20 | H7 | 121.5° | 120.0° |
| C15 | C19 | C20 | H8 | 121.5° | 120.0° |
| C15 | C19 | C20 | C21 | 163.0° | 180.0° |
| C19 | C15 | C14 | H4 | 38.9° | 75.0° |
| C19 | C15 | C14 | H5 | 78.9° | 45.0° |
| C15 | C19 | H7 | H8 | 115.3° | 120.0° |
| C15 | C19 | C20 | H9 | 42.8° | 60.0° |
| C15 | C19 | C20 | H10 | 76.7° | 60.0° |
| O18 | C16 | C15 | H6 | 65.3° | 60.0° |
| C19 | C20 | C21 | O23 | 11.6° | 0.0° |
| C19 | C20 | C21 | H9 | 120.2° | 120.0° |
| C19 | C20 | C21 | H10 | 120.2° | 120.0° |
| C19 | C20 | C21 | O22 | 168.8° | 180.0° |
| C20 | C19 | C15 | H6 | 88.5° | 55.0° |
| C20 | C19 | H7 | H8 | 115.2° | 120.0° |
| C19 | C20 | H9 | H10 | 119.3° | 120.0° |
| O23 | C21 | C20 | O22 | 179.7° | 180.0° |
| O23 | C21 | C20 | H9 | 108.7° | 120.0° |
| O23 | C21 | C20 | H10 | 131.8° | 120.0° |
| O23 | C21 | O22 | H19 | 0.0° | 0.0° |
| C21 | C20 | C19 | H7 | 75.5° | 60.0° |
| C21 | C20 | C19 | H8 | 41.5° | 60.0° |
| C21 | C20 | H9 | H10 | 119.3° | 120.0° |
| C20 | C21 | O22 | H19 | 179.7° | 180.0° |
| O22 | C21 | C20 | H9 | 71.0° | 60.0° |
| O22 | C21 | C20 | H10 | 48.5° | 60.0° |
| H1 | C5 | C9 | H14 | 100.0° | 60.0° |
| H1 | C5 | C9 | H15 | 141.0° | NaN° |
| H1 | C5 | N4 | H16 | 174.3° | 164.7° |
| H2 | C10 | C9 | H14 | 147.3° | 60.0° |
| H2 | C10 | C9 | H15 | 93.7° | 180.0° |
| H3 | C10 | C9 | H14 | 28.3° | 179.9° |
| H3 | C10 | C9 | H15 | 147.3° | 60.1° |
| H4 | C14 | C15 | H6 | 76.4° | 165.0° |
| H5 | C14 | C15 | H6 | 165.7° | 75.0° |
| H6 | C15 | C19 | H7 | 33.0° | 65.0° |
| H6 | C15 | C19 | H8 | 150.0° | 175.0° |
| H7 | C19 | C20 | H9 | 164.3° | 180.0° |
| H7 | C19 | C20 | H10 | 44.7° | 60.0° |
| H8 | C19 | C20 | H9 | 78.7° | 60.0° |
| H8 | C19 | C20 | H10 | 161.8° | 180.0° |
| H11 | C3 | H12 | H13 | 119.9° | 120.1° |
