RZP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O13 | C11 | doub | 1.21Å | 1.26Å | |
| O12 | C11 | sing | 1.34Å | 1.25Å | |
| C11 | C10 | sing | 1.51Å | 1.52Å | |
| C10 | C9 | sing | 1.53Å | 1.55Å | |
| C9 | C5 | sing | 1.53Å | 1.53Å | |
| N4 | C5 | sing | 1.46Å | 1.47Å | |
| N4 | C1 | sing | 1.35Å | 1.33Å | |
| C3 | C1 | sing | 1.51Å | 1.51Å | |
| C5 | P6 | sing | 1.82Å | 1.81Å | |
| O26 | P24 | doub | 1.48Å | 1.51Å | |
| C1 | O2 | doub | 1.21Å | 1.21Å | |
| O8 | P6 | doub | 1.48Å | 1.47Å | |
| O7 | P6 | sing | 1.61Å | 1.61Å | |
| O7 | P24 | sing | 1.61Å | 1.63Å | |
| P6 | C14 | sing | 1.82Å | 1.83Å | |
| P24 | O25 | sing | 1.61Å | 1.51Å | |
| P24 | O27 | sing | 1.61Å | 1.49Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C15 | C19 | sing | 1.53Å | 1.52Å | |
| C15 | C16 | sing | 1.51Å | 1.51Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C16 | O18 | doub | 1.21Å | 1.25Å | |
| C16 | O17 | sing | 1.34Å | 1.26Å | |
| O22 | C21 | doub | 1.21Å | 1.25Å | |
| C20 | C21 | sing | 1.51Å | 1.52Å | |
| C21 | O23 | sing | 1.34Å | 1.25Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C20 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.09Å | 1.10Å | |
| C19 | H4 | sing | 1.09Å | 1.10Å | |
| C19 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H14 | sing | 1.09Å | 1.10Å | |
| C3 | H15 | sing | 1.09Å | 1.10Å | |
| N4 | H16 | sing | 0.97Å | 1.00Å | |
| O12 | H17 | sing | 0.97Å | 0.95Å | |
| O17 | H18 | sing | 0.97Å | 0.95Å | |
| O23 | H19 | sing | 0.97Å | 0.95Å | |
| O25 | H20 | sing | 0.97Å | 0.95Å | |
| O27 | H21 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O13 | C11 | O12 | 121.5° | 120.0° |
| O13 | C11 | C10 | 119.3° | 120.0° |
| O12 | C11 | C10 | 119.2° | 120.0° |
| C11 | O12 | H17 | 109.5° | 117.0° |
| C11 | C10 | C9 | 111.5° | 109.5° |
| C11 | C10 | H11 | 109.0° | 109.5° |
| C11 | C10 | H12 | 109.0° | 109.4° |
| C10 | C9 | C5 | 111.2° | 109.5° |
| C10 | C9 | H6 | 109.1° | 109.5° |
| C10 | C9 | H7 | 109.1° | 109.4° |
| C9 | C10 | H11 | 108.9° | 109.5° |
| C9 | C10 | H12 | 108.9° | 109.5° |
| C9 | C5 | N4 | 108.8° | 109.5° |
| C9 | C5 | P6 | 109.3° | 109.5° |
| C9 | C5 | H1 | 110.6° | 109.4° |
| C5 | C9 | H6 | 109.0° | 109.5° |
| C5 | C9 | H7 | 109.0° | 109.5° |
| C5 | N4 | C1 | 119.7° | 120.0° |
| N4 | C5 | P6 | 109.6° | 109.5° |
| N4 | C5 | H1 | 111.3° | 109.5° |
| C5 | N4 | H16 | 120.1° | 120.0° |
| N4 | C1 | C3 | 117.9° | 120.0° |
| N4 | C1 | O2 | 120.0° | 120.0° |
| C1 | N4 | H16 | 120.2° | 120.0° |
| C3 | C1 | O2 | 122.0° | 120.0° |
| C1 | C3 | H13 | 109.5° | 109.4° |
| C1 | C3 | H14 | 109.5° | 109.5° |
| C1 | C3 | H15 | 109.5° | 109.4° |
| C5 | P6 | O8 | 110.1° | 109.5° |
| C5 | P6 | O7 | 109.7° | 109.5° |
| C5 | P6 | C14 | 113.2° | 109.4° |
| P6 | C5 | H1 | 107.2° | 109.4° |
| O26 | P24 | O7 | 106.1° | 109.5° |
| O26 | P24 | O25 | 114.5° | 109.5° |
| O26 | P24 | O27 | 113.0° | 109.5° |
| O8 | P6 | O7 | 107.6° | 109.5° |
| O8 | P6 | C14 | 109.3° | 109.5° |
| P6 | O7 | P24 | 128.8° | 133.9° |
| O7 | P6 | C14 | 106.6° | 109.4° |
| O7 | P24 | O25 | 101.9° | 109.5° |
| O7 | P24 | O27 | 111.3° | 109.5° |
| P6 | C14 | C15 | 107.7° | 109.5° |
| P6 | C14 | H8 | 109.9° | 109.5° |
| P6 | C14 | H9 | 109.9° | 109.4° |
| O25 | P24 | O27 | 109.4° | 109.5° |
| P24 | O25 | H20 | 109.5° | 114.1° |
| P24 | O27 | H21 | 109.5° | 113.9° |
| C14 | C15 | C19 | 107.0° | 109.5° |
| C14 | C15 | C16 | 112.7° | 109.5° |
| C15 | C14 | H8 | 109.9° | 109.5° |
| C15 | C14 | H9 | 109.9° | 109.4° |
| C14 | C15 | H10 | 109.7° | 109.5° |
| C19 | C15 | C16 | 107.5° | 109.5° |
| C15 | C19 | C20 | 113.5° | 109.4° |
| C15 | C19 | H4 | 108.5° | 109.4° |
| C15 | C19 | H5 | 108.4° | 109.4° |
| C19 | C15 | H10 | 109.8° | 109.5° |
| C15 | C16 | O18 | 118.6° | 120.0° |
| C15 | C16 | O17 | 118.6° | 120.0° |
| C16 | C15 | H10 | 110.0° | 109.4° |
| C19 | C20 | C21 | 106.9° | 109.4° |
| C19 | C20 | H2 | 110.1° | 109.5° |
| C19 | C20 | H3 | 110.1° | 109.5° |
| C20 | C19 | H4 | 108.4° | 109.5° |
| C20 | C19 | H5 | 108.5° | 109.5° |
| O18 | C16 | O17 | 122.8° | 120.0° |
| C16 | O17 | H18 | 109.5° | 117.0° |
| O22 | C21 | C20 | 119.7° | 120.0° |
| O22 | C21 | O23 | 122.4° | 120.0° |
| C20 | C21 | O23 | 117.8° | 120.0° |
| C21 | C20 | H2 | 110.1° | 109.4° |
| C21 | C20 | H3 | 110.1° | 109.5° |
| C21 | O23 | H19 | 109.5° | 117.0° |
| H2 | C20 | H3 | 109.5° | 109.5° |
| H4 | C19 | H5 | 109.5° | 109.6° |
| H6 | C9 | H7 | 109.5° | 109.5° |
| H8 | C14 | H9 | 109.5° | 109.5° |
| H11 | C10 | H12 | 109.5° | 109.5° |
| H13 | C3 | H14 | 109.5° | 109.5° |
| H13 | C3 | H15 | 109.4° | 109.5° |
| H14 | C3 | H15 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O13 | C11 | O12 | C10 | 179.8° | 179.9° |
| O13 | C11 | C10 | C9 | 116.5° | 0.0° |
| O13 | C11 | C10 | H11 | 123.2° | 120.0° |
| O13 | C11 | C10 | H12 | 3.8° | 120.0° |
| O13 | C11 | O12 | H17 | 0.0° | 0.1° |
| O12 | C11 | C10 | C9 | 63.6° | 180.0° |
| O12 | C11 | C10 | H11 | 56.7° | 59.9° |
| O12 | C11 | C10 | H12 | 176.1° | 60.1° |
| C11 | C10 | C9 | H11 | 120.3° | 120.0° |
| C11 | C10 | C9 | H12 | 120.3° | 119.9° |
| C11 | C10 | C9 | C5 | 176.0° | 176.4° |
| C11 | C10 | C9 | H6 | 63.8° | 56.4° |
| C11 | C10 | C9 | H7 | 55.7° | 63.6° |
| C11 | C10 | H11 | H12 | 119.1° | 120.0° |
| C10 | C11 | O12 | H17 | 179.8° | 180.0° |
| C10 | C9 | C5 | H6 | 120.3° | 120.0° |
| C10 | C9 | C5 | H7 | 120.3° | 119.9° |
| C10 | C9 | C5 | N4 | 64.0° | 174.3° |
| C10 | C9 | C5 | P6 | 176.4° | 65.6° |
| C10 | C9 | C5 | H1 | 58.6° | 54.3° |
| C10 | C9 | H6 | H7 | 119.3° | 119.9° |
| C9 | C10 | H11 | H12 | 119.0° | 120.0° |
| C9 | C5 | N4 | P6 | 119.4° | 120.1° |
| C9 | C5 | N4 | H1 | 122.1° | 120.0° |
| C9 | C5 | N4 | C1 | 137.6° | 135.6° |
| C9 | C5 | P6 | H1 | 119.9° | 119.9° |
| C9 | C5 | P6 | O8 | 75.6° | 60.9° |
| C9 | C5 | P6 | O7 | 42.7° | 179.0° |
| C9 | C5 | P6 | C14 | 161.6° | 59.1° |
| C5 | C9 | H6 | H7 | 119.2° | 120.0° |
| C5 | C9 | C10 | H11 | 55.7° | 63.6° |
| C5 | C9 | C10 | H12 | 63.7° | 56.5° |
| C9 | C5 | N4 | H16 | 42.4° | 44.3° |
| C5 | N4 | C1 | H16 | 180.0° | 179.9° |
| C5 | N4 | C1 | C3 | 174.9° | 175.8° |
| N4 | C5 | P6 | H1 | 121.0° | 120.0° |
| C5 | N4 | C1 | O2 | 6.5° | 4.3° |
| N4 | C5 | P6 | O8 | 43.5° | 179.1° |
| N4 | C5 | P6 | O7 | 161.7° | 59.0° |
| N4 | C5 | P6 | C14 | 79.3° | 60.9° |
| N4 | C5 | C9 | H6 | 175.7° | 54.3° |
| N4 | C5 | C9 | H7 | 56.2° | 65.7° |
| N4 | C1 | C3 | O2 | 178.6° | 179.9° |
| C1 | N4 | C5 | P6 | 103.0° | 104.3° |
| C1 | N4 | C5 | H1 | 15.4° | 15.7° |
| N4 | C1 | C3 | H13 | 178.7° | 180.0° |
| N4 | C1 | C3 | H14 | 58.6° | 59.9° |
| N4 | C1 | C3 | H15 | 61.4° | 60.1° |
| C1 | C3 | H13 | H14 | 120.0° | 120.0° |
| C1 | C3 | H13 | H15 | 120.0° | 119.9° |
| C1 | C3 | H14 | H15 | 120.0° | 120.0° |
| C3 | C1 | N4 | H16 | 5.1° | 4.1° |
| C5 | P6 | O8 | O7 | 119.5° | 120.1° |
| C5 | P6 | O8 | C14 | 125.0° | 120.0° |
| C5 | P6 | O7 | C14 | 123.0° | 119.9° |
| C5 | P6 | O7 | P24 | 66.0° | 68.1° |
| C5 | P6 | C14 | C15 | 177.2° | 173.8° |
| P6 | C5 | C9 | H6 | 56.1° | 174.4° |
| P6 | C5 | C9 | H7 | 63.4° | 54.3° |
| C5 | P6 | C14 | H8 | 63.0° | 66.1° |
| C5 | P6 | C14 | H9 | 57.5° | 53.9° |
| P6 | C5 | N4 | H16 | 77.0° | 75.8° |
| O26 | P24 | O7 | P6 | 84.1° | 45.1° |
| O26 | P24 | O7 | O25 | 120.2° | 120.0° |
| O26 | P24 | O7 | O27 | 123.3° | 120.0° |
| O26 | P24 | O25 | O27 | 128.0° | 120.0° |
| O26 | P24 | O25 | H20 | 0.0° | 175.0° |
| O26 | P24 | O27 | H21 | 0.0° | 60.0° |
| O2 | C1 | C3 | H13 | 0.0° | 0.1° |
| O2 | C1 | C3 | H14 | 120.0° | 120.0° |
| O2 | C1 | C3 | H15 | 120.0° | 120.0° |
| O2 | C1 | N4 | H16 | 173.5° | 175.8° |
| O8 | P6 | O7 | C14 | 117.2° | 120.0° |
| O8 | P6 | O7 | P24 | 174.2° | 52.0° |
| O8 | P6 | C14 | C15 | 59.6° | 53.8° |
| O8 | P6 | C5 | H1 | 164.5° | 59.0° |
| O8 | P6 | C14 | H8 | 60.2° | 173.9° |
| O8 | P6 | C14 | H9 | 179.3° | 66.1° |
| P6 | O7 | P24 | O25 | 155.7° | 75.0° |
| P6 | O7 | P24 | O27 | 39.1° | 165.1° |
| O7 | P6 | C14 | C15 | 56.5° | 66.2° |
| O7 | P6 | C5 | H1 | 77.3° | 61.1° |
| O7 | P6 | C14 | H8 | 176.2° | 53.8° |
| O7 | P6 | C14 | H9 | 63.2° | 173.9° |
| P24 | O7 | P6 | C14 | 57.0° | 172.0° |
| O7 | P24 | O25 | O27 | 117.9° | 120.0° |
| O7 | P24 | O25 | H20 | 114.1° | 65.0° |
| O7 | P24 | O27 | H21 | 119.2° | 180.0° |
| P6 | C14 | C15 | H8 | 119.8° | 120.1° |
| P6 | C14 | C15 | H9 | 119.7° | 119.9° |
| P6 | C14 | C15 | C19 | 97.2° | 164.6° |
| P6 | C14 | C15 | C16 | 144.8° | 75.4° |
| C14 | P6 | C5 | H1 | 41.7° | 179.0° |
| P6 | C14 | H8 | H9 | 120.8° | 120.0° |
| P6 | C14 | C15 | H10 | 21.9° | 44.5° |
| O25 | P24 | O27 | H21 | 128.9° | 60.0° |
| O27 | P24 | O25 | H20 | 128.0° | 55.0° |
| C14 | C15 | C19 | C16 | 121.3° | 120.0° |
| C14 | C15 | C19 | H10 | 119.1° | 120.0° |
| C14 | C15 | C16 | H10 | 122.8° | 120.0° |
| C14 | C15 | C19 | C20 | 177.8° | 175.0° |
| C14 | C15 | C16 | O18 | 36.7° | 24.1° |
| C14 | C15 | C16 | O17 | 145.0° | 155.9° |
| C14 | C15 | C19 | H4 | 57.2° | 65.0° |
| C14 | C15 | C19 | H5 | 61.6° | 55.0° |
| C15 | C14 | H8 | H9 | 120.8° | 119.9° |
| C19 | C15 | C16 | H10 | 119.5° | 120.0° |
| C15 | C19 | C20 | H4 | 120.6° | 119.9° |
| C15 | C19 | C20 | H5 | 120.6° | 120.0° |
| C19 | C15 | C16 | O18 | 81.0° | 96.0° |
| C19 | C15 | C16 | O17 | 97.3° | 84.1° |
| C15 | C19 | C20 | C21 | 176.3° | 180.0° |
| C15 | C19 | C20 | H2 | 56.7° | 60.1° |
| C15 | C19 | C20 | H3 | 64.1° | 60.0° |
| C15 | C19 | H4 | H5 | 118.1° | 120.0° |
| C19 | C15 | C14 | H8 | 22.5° | 75.3° |
| C19 | C15 | C14 | H9 | 143.0° | 44.6° |
| C16 | C15 | C19 | C20 | 61.0° | 65.0° |
| C15 | C16 | O18 | O17 | 178.3° | 180.0° |
| C16 | C15 | C19 | H4 | 178.4° | 55.0° |
| C16 | C15 | C19 | H5 | 59.6° | 175.1° |
| C16 | C15 | C14 | H8 | 95.4° | 44.7° |
| C16 | C15 | C14 | H9 | 25.1° | 164.6° |
| C15 | C16 | O17 | H18 | 178.2° | 180.0° |
| C19 | C20 | C21 | O22 | 72.2° | 0.0° |
| C19 | C20 | C21 | H2 | 119.6° | 120.0° |
| C19 | C20 | C21 | H3 | 119.6° | 120.0° |
| C19 | C20 | C21 | O23 | 107.2° | 180.0° |
| C19 | C20 | H2 | H3 | 121.2° | 120.1° |
| C20 | C19 | H4 | H5 | 118.2° | 120.1° |
| C20 | C19 | C15 | H10 | 58.7° | 55.0° |
| O18 | C16 | C15 | H10 | 159.4° | 144.0° |
| O18 | C16 | O17 | H18 | 0.0° | 0.0° |
| O17 | C16 | C15 | H10 | 22.2° | 35.9° |
| O22 | C21 | C20 | O23 | 179.4° | 180.0° |
| O22 | C21 | C20 | H2 | 168.2° | 120.0° |
| O22 | C21 | C20 | H3 | 47.4° | 120.0° |
| O22 | C21 | O23 | H19 | 0.0° | 0.0° |
| C21 | C20 | H2 | H3 | 121.2° | 120.0° |
| C21 | C20 | C19 | H4 | 63.1° | 60.1° |
| C21 | C20 | C19 | H5 | 55.7° | 60.0° |
| C20 | C21 | O23 | H19 | 179.5° | 180.0° |
| O23 | C21 | C20 | H2 | 12.4° | 60.0° |
| O23 | C21 | C20 | H3 | 133.2° | 60.0° |
| H1 | C5 | C9 | H6 | 61.7° | 65.7° |
| H1 | C5 | C9 | H7 | 178.8° | 174.3° |
| H1 | C5 | N4 | H16 | 164.6° | 164.2° |
| H2 | C20 | C19 | H4 | 177.3° | 180.0° |
| H2 | C20 | C19 | H5 | 63.9° | 59.9° |
| H3 | C20 | C19 | H4 | 56.5° | 59.9° |
| H3 | C20 | C19 | H5 | 175.3° | 180.0° |
| H4 | C19 | C15 | H10 | 61.9° | 175.0° |
| H5 | C19 | C15 | H10 | 179.3° | 65.0° |
| H6 | C9 | C10 | H11 | 175.9° | 176.4° |
| H6 | C9 | C10 | H12 | 56.5° | 63.5° |
| H7 | C9 | C10 | H11 | 64.6° | 56.4° |
| H7 | C9 | C10 | H12 | 176.0° | 176.4° |
| H8 | C14 | C15 | H10 | 141.6° | 164.6° |
| H9 | C14 | C15 | H10 | 97.9° | 75.4° |
| H13 | C3 | H14 | H15 | 120.0° | 120.0° |
