UDA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N1 | sing | 1.35Å | 1.38Å | |
| C1 | C6 | sing | 1.42Å | 1.48Å | |
| C1 | O1 | doub | 1.22Å | 1.23Å | |
| N1 | C3 | sing | 1.35Å | 1.34Å | |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| C3 | N2 | sing | 1.34Å | 1.44Å | |
| C3 | O2 | doub | 1.22Å | 1.23Å | |
| N2 | C5 | sing | 1.37Å | 1.44Å | |
| N2 | C2 | sing | 1.46Å | 1.52Å | |
| C5 | C6 | doub | 1.35Å | 1.40Å | |
| C5 | H6 | sing | 1.08Å | 1.10Å | |
| C6 | H7 | sing | 1.08Å | 1.10Å | |
| C9 | C2 | sing | 1.55Å | 1.49Å | |
| C9 | C15 | sing | 1.55Å | 1.55Å | |
| C9 | O11 | sing | 1.43Å | 1.52Å | |
| C9 | H9 | sing | 1.09Å | 1.11Å | |
| C2 | O3 | sing | 1.44Å | 1.42Å | |
| C2 | H3 | sing | 1.09Å | 1.12Å | |
| O3 | C4 | sing | 1.44Å | 1.43Å | |
| C4 | C15 | sing | 1.54Å | 1.58Å | |
| C4 | C12 | sing | 1.53Å | 1.54Å | |
| C4 | H4 | sing | 1.09Å | 1.12Å | |
| C15 | O14 | sing | 1.43Å | 1.49Å | |
| C15 | H5 | sing | 1.09Å | 1.12Å | |
| C12 | O4 | sing | 1.43Å | 1.49Å | |
| C12 | H121 | sing | 1.09Å | 1.11Å | |
| C12 | H122 | sing | 1.09Å | 1.12Å | |
| O14 | H14 | sing | 0.97Å | 0.95Å | |
| O11 | H11 | sing | 0.97Å | 0.95Å | |
| O4 | P1 | sing | 1.61Å | 1.56Å | |
| P1 | O5 | doub | 1.48Å | 1.47Å | |
| P1 | O6 | sing | 1.61Å | 1.47Å | |
| P1 | O7 | sing | 1.61Å | 1.50Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| O7 | P2 | sing | 1.61Å | 1.55Å | |
| P2 | O8 | sing | 1.61Å | 1.59Å | |
| P2 | O9 | doub | 1.48Å | 1.40Å | |
| P2 | O10 | sing | 1.61Å | 1.45Å | |
| O8 | C10 | sing | 1.43Å | 1.47Å | |
| O10 | H2 | sing | 0.97Å | 0.95Å | |
| C10 | C18 | sing | 1.53Å | 1.56Å | |
| C10 | O23 | sing | 1.43Å | 1.44Å | |
| C10 | H10 | sing | 1.09Å | 1.11Å | |
| C18 | C13 | sing | 1.53Å | 1.57Å | |
| C18 | N3 | sing | 1.46Å | 1.46Å | |
| C18 | H18 | sing | 1.09Å | 1.11Å | |
| C13 | C20 | sing | 1.53Å | 1.58Å | |
| C13 | O21 | sing | 1.43Å | 1.50Å | |
| C13 | H13 | sing | 1.09Å | 1.11Å | |
| C20 | C16 | sing | 1.53Å | 1.57Å | |
| C20 | O22 | sing | 1.43Å | 1.48Å | |
| C20 | H20 | sing | 1.09Å | 1.11Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C16 | O23 | sing | 1.43Å | 1.47Å | |
| C16 | H16 | sing | 1.09Å | 1.12Å | |
| C17 | O24 | sing | 1.43Å | 1.50Å | |
| C17 | H171 | sing | 1.09Å | 1.12Å | |
| C17 | H172 | sing | 1.09Å | 1.12Å | |
| C7 | N3 | sing | 1.35Å | 1.32Å | |
| C7 | O12 | doub | 1.21Å | 1.25Å | |
| C7 | C8 | sing | 1.51Å | 1.52Å | |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| O21 | C11 | sing | 1.43Å | 1.27Å | |
| O22 | H22 | sing | 0.97Å | 0.95Å | |
| O24 | H24 | sing | 0.97Å | 0.95Å | |
| C8 | H81 | sing | 1.09Å | 1.11Å | |
| C8 | H82 | sing | 1.09Å | 1.12Å | |
| C8 | H83 | sing | 1.09Å | 1.11Å | |
| C11 | C19 | sing | 1.53Å | 1.51Å | |
| C11 | O13 | sing | 1.43Å | 1.50Å | |
| C11 | C14 | sing | 1.51Å | 1.60Å | |
| C19 | H191 | sing | 1.09Å | 1.12Å | |
| C19 | H192 | sing | 1.09Å | 1.12Å | |
| C19 | H193 | sing | 1.09Å | 1.12Å | |
| O13 | P3 | sing | 1.61Å | 1.57Å | |
| P3 | O15 | sing | 1.61Å | 1.43Å | |
| P3 | O16 | sing | 1.61Å | 1.50Å | |
| P3 | O17 | doub | 1.48Å | 1.45Å | |
| O15 | H15 | sing | 0.97Å | 0.95Å | |
| O16 | H1 | sing | 0.97Å | 0.95Å | |
| C14 | O18 | doub | 1.21Å | 1.33Å | |
| C14 | O19 | sing | 1.34Å | 1.20Å | |
| O19 | H19 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C1 | C6 | 115.6° | 119.4° |
| N1 | C1 | O1 | 120.9° | 120.3° |
| C1 | N1 | C3 | 126.6° | 120.3° |
| C1 | N1 | HN1 | 118.4° | 119.9° |
| C6 | C1 | O1 | 123.5° | 120.3° |
| C1 | C6 | C5 | 119.8° | 119.1° |
| C1 | C6 | H7 | 122.7° | 120.4° |
| C3 | N1 | HN1 | 115.0° | 119.9° |
| N1 | C3 | N2 | 119.0° | 121.0° |
| N1 | C3 | O2 | 118.1° | 119.5° |
| N2 | C3 | O2 | 122.9° | 119.5° |
| C3 | N2 | C5 | 118.3° | 120.6° |
| C3 | N2 | C2 | 121.5° | 119.7° |
| C5 | N2 | C2 | 120.1° | 119.7° |
| N2 | C5 | C6 | 120.7° | 119.7° |
| N2 | C5 | H6 | 120.8° | 120.1° |
| N2 | C2 | C9 | 116.4° | 110.7° |
| N2 | C2 | O3 | 108.4° | 110.6° |
| N2 | C2 | H3 | 104.2° | 110.5° |
| C6 | C5 | H6 | 118.6° | 120.2° |
| C5 | C6 | H7 | 117.5° | 120.5° |
| C2 | C9 | C15 | 102.6° | 102.1° |
| C2 | C9 | O11 | 117.7° | 110.9° |
| C2 | C9 | H9 | 115.1° | 110.9° |
| C9 | C2 | O3 | 105.1° | 103.5° |
| C9 | C2 | H3 | 107.5° | 110.7° |
| C15 | C9 | O11 | 122.6° | 110.9° |
| C15 | C9 | H9 | 109.0° | 111.0° |
| C9 | C15 | C4 | 98.0° | 104.0° |
| C9 | C15 | O14 | 106.1° | 110.5° |
| C9 | C15 | H5 | 123.4° | 110.5° |
| O11 | C9 | H9 | 89.7° | 110.8° |
| C9 | O11 | H11 | 117.7° | 106.8° |
| O3 | C2 | H3 | 115.6° | 110.6° |
| C2 | O3 | C4 | 109.5° | 107.0° |
| O3 | C4 | C15 | 107.0° | 107.4° |
| O3 | C4 | C12 | 103.7° | 109.9° |
| O3 | C4 | H4 | 117.2° | 109.9° |
| C15 | C4 | C12 | 116.1° | 109.9° |
| C15 | C4 | H4 | 105.1° | 109.8° |
| C4 | C15 | O14 | 121.5° | 110.8° |
| C4 | C15 | H5 | 108.6° | 110.5° |
| C12 | C4 | H4 | 108.2° | 109.9° |
| C4 | C12 | O4 | 115.8° | 109.5° |
| C4 | C12 | H121 | 109.9° | 109.5° |
| C4 | C12 | H122 | 109.9° | 109.5° |
| O14 | C15 | H5 | 100.8° | 110.5° |
| C15 | O14 | H14 | 106.2° | 106.8° |
| O4 | C12 | H121 | 110.0° | 109.4° |
| O4 | C12 | H122 | 109.9° | 109.5° |
| C12 | O4 | P1 | 121.9° | 106.8° |
| H121 | C12 | H122 | 100.3° | 109.4° |
| O4 | P1 | O5 | 107.0° | 109.4° |
| O4 | P1 | O6 | 113.9° | 109.5° |
| O4 | P1 | O7 | 111.6° | 109.5° |
| O5 | P1 | O6 | 108.2° | 109.5° |
| O5 | P1 | O7 | 99.4° | 109.4° |
| O6 | P1 | O7 | 115.3° | 109.5° |
| P1 | O6 | HO6 | 113.9° | 106.8° |
| P1 | O7 | P2 | 128.2° | 106.8° |
| O7 | P2 | O8 | 111.1° | 109.5° |
| O7 | P2 | O9 | 109.7° | 109.5° |
| O7 | P2 | O10 | 112.5° | 109.5° |
| O8 | P2 | O9 | 106.1° | 109.5° |
| O8 | P2 | O10 | 107.8° | 109.4° |
| P2 | O8 | C10 | 126.1° | 106.9° |
| O9 | P2 | O10 | 109.5° | 109.4° |
| P2 | O10 | H2 | 112.5° | 106.8° |
| O8 | C10 | C18 | 109.2° | 109.4° |
| O8 | C10 | O23 | 112.2° | 109.4° |
| O8 | C10 | H10 | 107.1° | 109.4° |
| C18 | C10 | O23 | 107.1° | 109.8° |
| C18 | C10 | H10 | 112.2° | 109.4° |
| C10 | C18 | C13 | 110.8° | 109.1° |
| C10 | C18 | N3 | 109.0° | 109.5° |
| C10 | C18 | H18 | 108.7° | 109.5° |
| O23 | C10 | H10 | 109.1° | 109.4° |
| C10 | O23 | C16 | 117.6° | 107.6° |
| C13 | C18 | N3 | 109.1° | 109.6° |
| C13 | C18 | H18 | 108.6° | 109.6° |
| C18 | C13 | C20 | 104.2° | 108.7° |
| C18 | C13 | O21 | 112.0° | 109.9° |
| C18 | C13 | H13 | 111.5° | 109.5° |
| N3 | C18 | H18 | 110.5° | 109.5° |
| C18 | N3 | C7 | 125.1° | 120.1° |
| C18 | N3 | HN3 | 122.9° | 120.0° |
| C20 | C13 | O21 | 109.6° | 109.6° |
| C20 | C13 | H13 | 113.7° | 109.6° |
| C13 | C20 | C16 | 110.2° | 109.1° |
| C13 | C20 | O22 | 116.0° | 109.7° |
| C13 | C20 | H20 | 103.1° | 109.5° |
| O21 | C13 | H13 | 106.1° | 109.6° |
| C13 | O21 | C11 | 129.1° | 106.8° |
| C16 | C20 | O22 | 104.6° | 109.5° |
| C16 | C20 | H20 | 114.7° | 109.5° |
| C20 | C16 | C17 | 113.2° | 109.3° |
| C20 | C16 | O23 | 107.5° | 109.8° |
| C20 | C16 | H16 | 108.2° | 109.4° |
| O22 | C20 | H20 | 108.7° | 109.5° |
| C20 | O22 | H22 | 116.0° | 106.9° |
| C17 | C16 | O23 | 109.2° | 109.4° |
| C17 | C16 | H16 | 106.5° | 109.5° |
| C16 | C17 | O24 | 117.1° | 109.5° |
| C16 | C17 | H171 | 109.5° | 109.5° |
| C16 | C17 | H172 | 109.5° | 109.5° |
| O23 | C16 | H16 | 112.4° | 109.5° |
| O24 | C17 | H171 | 109.4° | 109.4° |
| O24 | C17 | H172 | 109.4° | 109.5° |
| C17 | O24 | H24 | 117.1° | 106.8° |
| H171 | C17 | H172 | 100.6° | 109.5° |
| N3 | C7 | O12 | 120.7° | 120.0° |
| N3 | C7 | C8 | 113.0° | 120.0° |
| C7 | N3 | HN3 | 112.0° | 119.9° |
| O12 | C7 | C8 | 126.3° | 120.0° |
| C7 | C8 | H81 | 113.0° | 109.4° |
| C7 | C8 | H82 | 110.9° | 109.5° |
| C7 | C8 | H83 | 110.9° | 109.4° |
| O21 | C11 | C19 | 131.0° | 109.5° |
| O21 | C11 | O13 | 101.6° | 109.5° |
| O21 | C11 | C14 | 99.4° | 109.5° |
| H81 | C8 | H82 | 110.9° | 109.5° |
| H81 | C8 | H83 | 111.0° | 109.5° |
| H82 | C8 | H83 | 99.4° | 109.5° |
| C19 | C11 | O13 | 109.1° | 109.5° |
| C19 | C11 | C14 | 102.0° | 109.4° |
| C11 | C19 | H191 | 131.0° | 109.5° |
| C11 | C19 | H192 | 104.8° | 109.5° |
| C11 | C19 | H193 | 104.8° | 109.5° |
| O13 | C11 | C14 | 113.5° | 109.5° |
| C11 | O13 | P3 | 130.5° | 106.8° |
| C11 | C14 | O18 | 111.3° | 120.0° |
| C11 | C14 | O19 | 128.0° | 120.0° |
| H191 | C19 | H192 | 104.7° | 109.4° |
| H191 | C19 | H193 | 104.7° | 109.5° |
| H192 | C19 | H193 | 104.2° | 109.4° |
| O13 | P3 | O15 | 91.3° | 109.5° |
| O13 | P3 | O16 | 113.3° | 109.4° |
| O13 | P3 | O17 | 117.8° | 109.4° |
| O15 | P3 | O16 | 112.6° | 109.5° |
| O15 | P3 | O17 | 100.9° | 109.5° |
| P3 | O15 | H15 | 91.3° | 106.8° |
| O16 | P3 | O17 | 116.9° | 109.5° |
| P3 | O16 | H1 | 113.3° | 106.8° |
| O18 | C14 | O19 | 120.7° | 120.0° |
| C14 | O19 | H19 | 128.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | C6 | O1 | 179.7° | 180.0° |
| C1 | N1 | C3 | HN1 | 180.0° | 179.7° |
| C1 | N1 | C3 | N2 | 0.0° | 0.5° |
| C1 | N1 | C3 | O2 | 179.8° | 179.9° |
| N1 | C1 | C6 | C5 | 0.2° | 0.0° |
| N1 | C1 | C6 | H7 | 179.7° | 180.0° |
| C6 | C1 | N1 | C3 | 0.1° | 0.3° |
| C6 | C1 | N1 | HN1 | 179.9° | 180.0° |
| C1 | C6 | C5 | N2 | 0.3° | 0.0° |
| C1 | C6 | C5 | H7 | 180.0° | 180.0° |
| C1 | C6 | C5 | H6 | 179.7° | 180.0° |
| O1 | C1 | N1 | C3 | 179.6° | 179.8° |
| O1 | C1 | N1 | HN1 | 0.4° | 0.0° |
| O1 | C1 | C6 | C5 | 179.5° | 180.0° |
| O1 | C1 | C6 | H7 | 0.5° | 0.0° |
| N1 | C3 | N2 | O2 | 179.8° | 179.5° |
| N1 | C3 | N2 | C5 | 0.0° | 0.5° |
| N1 | C3 | N2 | C2 | 179.5° | 179.8° |
| HN1 | N1 | C3 | N2 | 180.0° | 179.8° |
| HN1 | N1 | C3 | O2 | 0.2° | 0.2° |
| C3 | N2 | C5 | C2 | 179.5° | 179.7° |
| C3 | N2 | C5 | C6 | 0.2° | 0.3° |
| C3 | N2 | C5 | H6 | 179.8° | 179.7° |
| C3 | N2 | C2 | C9 | 119.5° | 55.9° |
| C3 | N2 | C2 | O3 | 122.4° | 58.2° |
| C3 | N2 | C2 | H3 | 1.3° | 178.9° |
| O2 | C3 | N2 | C5 | 179.8° | 180.0° |
| O2 | C3 | N2 | C2 | 0.3° | 0.2° |
| N2 | C5 | C6 | H6 | 180.0° | 180.0° |
| N2 | C5 | C6 | H7 | 179.7° | 180.0° |
| C5 | N2 | C2 | C9 | 60.0° | 124.4° |
| C5 | N2 | C2 | O3 | 58.2° | 121.5° |
| C5 | N2 | C2 | H3 | 178.1° | 1.4° |
| C2 | N2 | C5 | C6 | 179.6° | 180.0° |
| C2 | N2 | C5 | H6 | 0.4° | 0.0° |
| N2 | C2 | C9 | O3 | 120.0° | 118.5° |
| N2 | C2 | C9 | H3 | 116.3° | 122.9° |
| N2 | C2 | C9 | C15 | 160.9° | 155.7° |
| N2 | C2 | C9 | O11 | 61.2° | 86.2° |
| N2 | C2 | C9 | H9 | 42.7° | 37.4° |
| N2 | C2 | O3 | H3 | 116.5° | 122.8° |
| N2 | C2 | O3 | C4 | 149.9° | 158.7° |
| H6 | C5 | C6 | H7 | 0.3° | 0.0° |
| C2 | C9 | C15 | O11 | 135.2° | 118.2° |
| C2 | C9 | C15 | H9 | 122.5° | 118.2° |
| C2 | C9 | O11 | H9 | 118.5° | 123.7° |
| C9 | C2 | O3 | H3 | 118.4° | 118.6° |
| C9 | C2 | O3 | C4 | 24.8° | 40.1° |
| C2 | C9 | C15 | C4 | 38.9° | 21.0° |
| C2 | C9 | C15 | O14 | 87.3° | 97.9° |
| C2 | C9 | C15 | H5 | 157.5° | 139.6° |
| C2 | C9 | O11 | H11 | 179.9° | 179.9° |
| C15 | C9 | O11 | H9 | 112.5° | 123.7° |
| C15 | C9 | C2 | O3 | 41.0° | 37.2° |
| C15 | C9 | C2 | H3 | 82.7° | 81.4° |
| C9 | C15 | C4 | O3 | 25.2° | 1.9° |
| C9 | C15 | C4 | O14 | 114.6° | 118.7° |
| C9 | C15 | C4 | H5 | 129.4° | 118.6° |
| C9 | C15 | C4 | C12 | 90.1° | 121.4° |
| C9 | C15 | C4 | H4 | 150.4° | 117.6° |
| C9 | C15 | O14 | H5 | 129.7° | 122.6° |
| C9 | C15 | O14 | H14 | 180.0° | 61.5° |
| C15 | C9 | O11 | H11 | 50.9° | 67.3° |
| O11 | C9 | C2 | O3 | 178.8° | 155.3° |
| O11 | C9 | C2 | H3 | 55.1° | 36.7° |
| O11 | C9 | C15 | C4 | 174.0° | 139.2° |
| O11 | C9 | C15 | O14 | 47.9° | 20.2° |
| O11 | C9 | C15 | H5 | 67.3° | 102.3° |
| H9 | C9 | C2 | O3 | 77.3° | 81.1° |
| H9 | C9 | C2 | H3 | 159.0° | 160.4° |
| H9 | C9 | C15 | C4 | 83.6° | 97.2° |
| H9 | C9 | C15 | O14 | 150.2° | 143.9° |
| H9 | C9 | C15 | H5 | 35.0° | 21.3° |
| H9 | C9 | O11 | H11 | 61.6° | 56.4° |
| C2 | O3 | C4 | C15 | 1.4° | 26.5° |
| C2 | O3 | C4 | C12 | 121.9° | 146.0° |
| C2 | O3 | C4 | H4 | 118.9° | 93.0° |
| H3 | C2 | O3 | C4 | 93.6° | 78.5° |
| O3 | C4 | C15 | C12 | 115.2° | 119.5° |
| O3 | C4 | C15 | H4 | 125.2° | 119.5° |
| O3 | C4 | C12 | H4 | 125.1° | 121.1° |
| O3 | C4 | C15 | O14 | 89.4° | 120.6° |
| O3 | C4 | C15 | H5 | 154.6° | 116.6° |
| O3 | C4 | C12 | O4 | 59.1° | 61.7° |
| O3 | C4 | C12 | H121 | 66.2° | 58.3° |
| O3 | C4 | C12 | H122 | 175.6° | 178.3° |
| C15 | C4 | C12 | H4 | 117.8° | 121.0° |
| C4 | C15 | O14 | H5 | 119.9° | 122.7° |
| C15 | C4 | C12 | O4 | 57.9° | 179.7° |
| C15 | C4 | C12 | H121 | 176.7° | 59.7° |
| C15 | C4 | C12 | H122 | 67.3° | 60.3° |
| C4 | C15 | O14 | H14 | 69.7° | 176.2° |
| C12 | C4 | C15 | O14 | 155.4° | 119.9° |
| C12 | C4 | C15 | H5 | 39.3° | 2.9° |
| C4 | C12 | O4 | H121 | 125.3° | 120.0° |
| C4 | C12 | O4 | H122 | 125.2° | 120.1° |
| C4 | C12 | H121 | H122 | 115.6° | 120.0° |
| C4 | C12 | O4 | P1 | 151.6° | 180.0° |
| H4 | C4 | C15 | O14 | 35.8° | 1.1° |
| H4 | C4 | C15 | H5 | 80.2° | 123.8° |
| H4 | C4 | C12 | O4 | 175.8° | 59.4° |
| H4 | C4 | C12 | H121 | 58.9° | 179.3° |
| H4 | C4 | C12 | H122 | 50.5° | 60.7° |
| H5 | C15 | O14 | H14 | 50.2° | 61.1° |
| O4 | C12 | H121 | H122 | 115.8° | 120.0° |
| C12 | O4 | P1 | O5 | 1.4° | 60.1° |
| C12 | O4 | P1 | O6 | 120.9° | 59.9° |
| C12 | O4 | P1 | O7 | 106.3° | 180.0° |
| H121 | C12 | O4 | P1 | 26.4° | 60.0° |
| H122 | C12 | O4 | P1 | 83.1° | 59.9° |
| O4 | P1 | O5 | O6 | 123.1° | 120.0° |
| O4 | P1 | O5 | O7 | 116.1° | 120.0° |
| O4 | P1 | O6 | O7 | 130.9° | 120.1° |
| O4 | P1 | O6 | HO6 | 180.0° | 60.1° |
| O4 | P1 | O7 | P2 | 107.0° | 180.0° |
| O5 | P1 | O6 | O7 | 110.3° | 120.0° |
| O5 | P1 | O6 | HO6 | 61.1° | 179.9° |
| O5 | P1 | O7 | P2 | 140.3° | 60.1° |
| O6 | P1 | O7 | P2 | 24.9° | 60.0° |
| O7 | P1 | O6 | HO6 | 49.1° | 60.0° |
| P1 | O7 | P2 | O8 | 178.2° | 180.0° |
| P1 | O7 | P2 | O9 | 61.2° | 60.0° |
| P1 | O7 | P2 | O10 | 60.9° | 60.0° |
| O7 | P2 | O8 | O9 | 119.2° | 120.0° |
| O7 | P2 | O8 | O10 | 123.6° | 120.1° |
| O7 | P2 | O9 | O10 | 123.8° | 120.0° |
| O7 | P2 | O8 | C10 | 58.3° | 180.0° |
| O7 | P2 | O10 | H2 | 179.9° | 60.0° |
| O8 | P2 | O9 | O10 | 116.1° | 119.9° |
| O8 | P2 | O10 | H2 | 57.1° | 60.1° |
| P2 | O8 | C10 | C18 | 179.5° | 150.0° |
| P2 | O8 | C10 | O23 | 62.0° | 89.7° |
| P2 | O8 | C10 | H10 | 57.8° | 30.1° |
| O9 | P2 | O8 | C10 | 60.9° | 60.0° |
| O9 | P2 | O10 | H2 | 57.9° | 180.0° |
| O10 | P2 | O8 | C10 | 178.1° | 60.0° |
| O8 | C10 | C18 | O23 | 121.7° | 120.1° |
| O8 | C10 | C18 | H10 | 118.6° | 119.8° |
| O8 | C10 | O23 | H10 | 118.5° | 119.8° |
| O8 | C10 | C18 | C13 | 61.7° | 58.9° |
| O8 | C10 | C18 | N3 | 58.4° | 61.1° |
| O8 | C10 | C18 | H18 | 179.0° | 178.8° |
| O8 | C10 | O23 | C16 | 60.6° | 52.5° |
| C18 | C10 | O23 | H10 | 121.7° | 120.1° |
| C10 | C18 | C13 | N3 | 120.1° | 119.9° |
| C10 | C18 | C13 | H18 | 119.4° | 119.9° |
| C10 | C18 | N3 | H18 | 119.4° | 120.1° |
| C10 | C18 | C13 | C20 | 61.9° | 53.6° |
| C10 | C18 | C13 | O21 | 179.7° | 173.4° |
| C10 | C18 | C13 | H13 | 61.0° | 66.1° |
| C18 | C10 | O23 | C16 | 59.2° | 67.6° |
| C10 | C18 | N3 | C7 | 64.7° | 90.2° |
| C10 | C18 | N3 | HN3 | 115.3° | 89.9° |
| O23 | C10 | C18 | C13 | 60.0° | 61.2° |
| O23 | C10 | C18 | N3 | 179.9° | 178.8° |
| O23 | C10 | C18 | H18 | 59.3° | 58.7° |
| C10 | O23 | C16 | C20 | 58.8° | 67.6° |
| C10 | O23 | C16 | C17 | 178.1° | 172.4° |
| C10 | O23 | C16 | H16 | 60.2° | 52.5° |
| H10 | C10 | C18 | C13 | 179.7° | 178.7° |
| H10 | C10 | C18 | N3 | 60.1° | 58.7° |
| H10 | C10 | C18 | H18 | 60.4° | 61.4° |
| H10 | C10 | O23 | C16 | 179.1° | 172.3° |
| C13 | C18 | N3 | H18 | 119.4° | 120.2° |
| C18 | C13 | C20 | O21 | 120.0° | 120.0° |
| C18 | C13 | C20 | H13 | 121.5° | 119.6° |
| C18 | C13 | O21 | H13 | 121.8° | 120.4° |
| C18 | C13 | C20 | C16 | 60.8° | 53.6° |
| C18 | C13 | C20 | O22 | 179.3° | 173.5° |
| C18 | C13 | C20 | H20 | 62.1° | 66.3° |
| C13 | C18 | N3 | C7 | 174.2° | 150.1° |
| C13 | C18 | N3 | HN3 | 5.9° | 29.8° |
| C18 | C13 | O21 | C11 | 130.8° | 145.5° |
| N3 | C18 | C13 | C20 | 178.0° | 173.5° |
| N3 | C18 | C13 | O21 | 59.6° | 66.6° |
| N3 | C18 | C13 | H13 | 59.1° | 53.8° |
| C18 | N3 | C7 | HN3 | 180.0° | 179.9° |
| C18 | N3 | C7 | O12 | 0.2° | 0.1° |
| C18 | N3 | C7 | C8 | 179.7° | 180.0° |
| H18 | C18 | C13 | C20 | 57.4° | 66.3° |
| H18 | C18 | C13 | O21 | 60.9° | 53.6° |
| H18 | C18 | C13 | H13 | 179.6° | 174.0° |
| H18 | C18 | N3 | C7 | 54.8° | 29.9° |
| H18 | C18 | N3 | HN3 | 125.2° | 150.0° |
| C20 | C13 | O21 | H13 | 123.1° | 120.3° |
| C13 | C20 | C16 | O22 | 125.3° | 120.0° |
| C13 | C20 | C16 | H20 | 115.7° | 119.8° |
| C13 | C20 | O22 | H20 | 115.5° | 120.2° |
| C13 | C20 | C16 | C17 | 178.6° | 178.7° |
| C13 | C20 | C16 | O23 | 58.0° | 61.3° |
| C13 | C20 | C16 | H16 | 63.6° | 58.9° |
| C20 | C13 | O21 | C11 | 114.1° | 95.2° |
| C13 | C20 | O22 | H22 | 180.0° | 179.7° |
| O21 | C13 | C20 | C16 | 179.2° | 173.6° |
| O21 | C13 | C20 | O22 | 60.7° | 66.4° |
| O21 | C13 | C20 | H20 | 57.9° | 53.8° |
| C13 | O21 | C11 | C19 | 41.6° | 177.1° |
| C13 | O21 | C11 | O13 | 86.9° | 62.9° |
| C13 | O21 | C11 | C14 | 156.6° | 57.2° |
| H13 | C13 | C20 | C16 | 60.7° | 66.0° |
| H13 | C13 | C20 | O22 | 57.8° | 53.9° |
| H13 | C13 | C20 | H20 | 176.5° | 174.1° |
| H13 | C13 | O21 | C11 | 9.0° | 25.1° |
| C16 | C20 | O22 | H20 | 123.0° | 120.2° |
| C20 | C16 | C17 | O23 | 119.7° | 120.2° |
| C20 | C16 | C17 | H16 | 118.8° | 119.8° |
| C20 | C16 | O23 | H16 | 119.0° | 120.1° |
| C20 | C16 | C17 | O24 | 59.7° | 179.7° |
| C20 | C16 | C17 | H171 | 175.0° | 59.8° |
| C20 | C16 | C17 | H172 | 65.6° | 60.3° |
| C16 | C20 | O22 | H22 | 58.5° | 60.0° |
| O22 | C20 | C16 | C17 | 56.1° | 58.7° |
| O22 | C20 | C16 | O23 | 176.7° | 178.7° |
| O22 | C20 | C16 | H16 | 61.7° | 61.1° |
| H20 | C20 | C16 | C17 | 62.9° | 61.4° |
| H20 | C20 | C16 | O23 | 57.7° | 58.6° |
| H20 | C20 | C16 | H16 | 179.3° | 178.7° |
| H20 | C20 | O22 | H22 | 64.5° | 60.1° |
| C17 | C16 | O23 | H16 | 117.9° | 119.9° |
| C16 | C17 | O24 | H171 | 125.3° | 120.0° |
| C16 | C17 | O24 | H172 | 125.3° | 120.0° |
| C16 | C17 | H171 | H172 | 115.2° | 120.0° |
| C16 | C17 | O24 | H24 | 180.0° | 180.0° |
| O23 | C16 | C17 | O24 | 60.0° | 60.1° |
| O23 | C16 | C17 | H171 | 65.3° | 180.0° |
| O23 | C16 | C17 | H172 | 174.8° | 59.9° |
| H16 | C16 | C17 | O24 | 178.5° | 59.9° |
| H16 | C16 | C17 | H171 | 56.2° | 60.1° |
| H16 | C16 | C17 | H172 | 53.2° | 179.9° |
| O24 | C17 | H171 | H172 | 115.2° | 120.0° |
| H171 | C17 | O24 | H24 | 54.7° | 60.0° |
| H172 | C17 | O24 | H24 | 54.7° | 60.0° |
| N3 | C7 | O12 | C8 | 179.9° | 180.0° |
| N3 | C7 | C8 | H81 | 180.0° | 180.0° |
| N3 | C7 | C8 | H82 | 54.7° | 60.0° |
| N3 | C7 | C8 | H83 | 54.7° | 60.0° |
| O12 | C7 | N3 | HN3 | 179.8° | 180.0° |
| O12 | C7 | C8 | H81 | 0.1° | 0.0° |
| O12 | C7 | C8 | H82 | 125.2° | 120.1° |
| O12 | C7 | C8 | H83 | 125.4° | 120.0° |
| C8 | C7 | N3 | HN3 | 0.3° | 0.1° |
| C7 | C8 | H81 | H82 | 125.3° | 120.0° |
| C7 | C8 | H81 | H83 | 125.2° | 119.9° |
| C7 | C8 | H82 | H83 | 116.7° | 119.9° |
| O21 | C11 | C19 | O13 | 125.7° | 120.0° |
| O21 | C11 | C19 | C14 | 113.9° | 120.0° |
| O21 | C11 | O13 | C14 | 105.7° | 120.1° |
| O21 | C11 | C19 | H191 | 180.0° | 50.1° |
| O21 | C11 | C19 | H192 | 54.7° | 170.1° |
| O21 | C11 | C19 | H193 | 54.7° | 69.9° |
| O21 | C11 | O13 | P3 | 126.1° | 66.1° |
| O21 | C11 | C14 | O18 | 89.7° | 7.6° |
| O21 | C11 | C14 | O19 | 89.7° | 172.3° |
| H81 | C8 | H82 | H83 | 116.8° | 120.1° |
| C19 | C11 | O13 | C14 | 113.0° | 120.0° |
| C11 | C19 | H191 | H192 | 125.3° | 120.0° |
| C11 | C19 | H191 | H193 | 125.3° | 120.1° |
| C11 | C19 | H192 | H193 | 109.8° | 120.0° |
| C19 | C11 | O13 | P3 | 15.2° | 53.9° |
| C19 | C11 | C14 | O18 | 134.6° | 112.4° |
| C19 | C11 | C14 | O19 | 45.9° | 67.7° |
| O13 | C11 | C19 | H191 | 54.3° | 69.8° |
| O13 | C11 | C19 | H192 | 179.5° | 50.1° |
| O13 | C11 | C19 | H193 | 71.0° | 170.1° |
| C11 | O13 | P3 | O15 | 154.8° | 162.7° |
| C11 | O13 | P3 | O16 | 89.8° | 77.3° |
| C11 | O13 | P3 | O17 | 51.8° | 42.7° |
| O13 | C11 | C14 | O18 | 17.4° | 127.6° |
| O13 | C11 | C14 | O19 | 163.1° | 52.3° |
| C14 | C11 | C19 | H191 | 66.1° | 170.2° |
| C14 | C11 | C19 | H192 | 59.2° | 69.9° |
| C14 | C11 | C19 | H193 | 168.6° | 50.1° |
| C14 | C11 | O13 | P3 | 128.1° | 173.9° |
| C11 | C14 | O18 | O19 | 179.5° | 179.9° |
| C11 | C14 | O19 | H19 | 180.0° | 179.9° |
| H191 | C19 | H192 | H193 | 109.7° | 119.9° |
| O13 | P3 | O15 | O16 | 116.0° | 119.9° |
| O13 | P3 | O15 | O17 | 118.6° | 120.0° |
| O13 | P3 | O16 | O17 | 141.9° | 120.0° |
| O13 | P3 | O15 | H15 | 180.0° | 180.0° |
| O13 | P3 | O16 | H1 | 180.0° | 60.0° |
| O15 | P3 | O16 | O17 | 116.2° | 120.1° |
| O15 | P3 | O16 | H1 | 78.1° | 60.0° |
| O16 | P3 | O15 | H15 | 64.0° | 60.0° |
| O17 | P3 | O15 | H15 | 61.4° | 60.1° |
| O17 | P3 | O16 | H1 | 38.1° | 180.0° |
| O18 | C14 | O19 | H19 | 0.6° | 0.0° |
