A1CCP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O14 | P3 | doub | 1.48Å | 1.51Å | |
| O10 | P3 | sing | 1.61Å | 1.64Å | |
| O6 | P1 | doub | 1.48Å | 1.51Å | |
| P3 | O8 | sing | 1.61Å | 1.64Å | |
| P3 | O9 | sing | 1.61Å | 1.51Å | |
| O8 | P2 | sing | 1.61Å | 1.64Å | |
| O16 | P1 | sing | 1.61Å | 1.51Å | |
| P1 | C10 | sing | 1.82Å | 1.82Å | |
| P1 | O5 | sing | 1.61Å | 1.64Å | |
| O7 | P2 | doub | 1.48Å | 1.51Å | |
| P2 | C10 | sing | 1.82Å | 1.82Å | |
| P2 | O15 | sing | 1.61Å | 1.51Å | |
| O5 | P | sing | 1.61Å | 1.63Å | |
| P | O | doub | 1.48Å | 1.51Å | |
| P | O17 | sing | 1.61Å | 1.51Å | |
| P | O1 | sing | 1.61Å | 1.54Å | |
| O1 | C | sing | 1.43Å | 1.44Å | |
| C | C1 | sing | 1.53Å | 1.54Å | |
| C1 | C4 | sing | 1.55Å | 1.54Å | |
| C1 | O2 | sing | 1.44Å | 1.43Å | |
| C4 | O3 | sing | 1.43Å | 1.43Å | |
| C4 | C3 | sing | 1.55Å | 1.54Å | |
| O2 | C2 | sing | 1.44Å | 1.43Å | |
| C3 | C2 | sing | 1.55Å | 1.53Å | |
| C3 | O4 | sing | 1.43Å | 1.43Å | |
| C5 | N | sing | 1.36Å | 1.36Å | Aromatic |
| C5 | N1 | doub | 1.30Å | 1.33Å | Aromatic |
| C2 | N | sing | 1.46Å | 1.48Å | |
| N | C7 | sing | 1.37Å | 1.37Å | Aromatic |
| N1 | C6 | sing | 1.35Å | 1.37Å | Aromatic |
| C7 | C6 | doub | 1.41Å | 1.36Å | Aromatic |
| C7 | N2 | sing | 1.33Å | 1.35Å | Aromatic |
| C6 | C9 | sing | 1.41Å | 1.41Å | Aromatic |
| N2 | C8 | doub | 1.32Å | 1.35Å | Aromatic |
| C9 | N4 | sing | 1.38Å | 1.36Å | |
| C9 | N3 | doub | 1.33Å | 1.36Å | Aromatic |
| C8 | N3 | sing | 1.32Å | 1.36Å | Aromatic |
| C3 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C | H5 | sing | 1.09Å | 1.10Å | |
| C | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| N4 | H11 | sing | 0.97Å | 1.00Å | |
| N4 | H12 | sing | 0.97Å | 1.00Å | |
| O15 | H14 | sing | 0.97Å | 0.95Å | |
| O16 | H15 | sing | 0.97Å | 0.95Å | |
| O17 | H16 | sing | 0.97Å | 0.95Å | |
| O3 | H17 | sing | 0.97Å | 0.95Å | |
| O4 | H18 | sing | 0.97Å | 0.95Å | |
| O9 | H19 | sing | 0.97Å | 0.95Å | |
| O10 | C11 | sing | 1.43Å | 23.76Å | |
| C11 | C12 | sing | 1.53Å | 0.00Å | |
| C12 | O13 | sing | 1.44Å | 0.00Å | |
| O13 | C14 | sing | 1.44Å | 0.00Å | |
| C14 | C15 | sing | 1.54Å | 0.00Å | |
| C15 | C16 | sing | 1.55Å | 0.00Å | |
| C16 | C12 | sing | 1.55Å | 0.00Å | |
| C14 | N5 | sing | 1.46Å | 0.00Å | |
| N5 | C17 | sing | 1.37Å | 0.00Å | Aromatic |
| C17 | C18 | doub | 1.40Å | 0.00Å | Aromatic |
| C18 | N6 | sing | 1.36Å | 0.00Å | Aromatic |
| N6 | C20 | doub | 1.30Å | 0.00Å | Aromatic |
| C20 | N5 | sing | 1.36Å | 0.00Å | Aromatic |
| C17 | N7 | sing | 1.33Å | 0.00Å | Aromatic |
| N7 | C22 | doub | 1.32Å | 0.00Å | Aromatic |
| C22 | N8 | sing | 1.32Å | 0.00Å | Aromatic |
| N8 | C24 | doub | 1.33Å | 0.00Å | Aromatic |
| C24 | C18 | sing | 1.41Å | 0.00Å | Aromatic |
| C16 | O11 | sing | 1.43Å | 0.00Å | |
| C15 | O12 | sing | 1.43Å | 0.00Å | |
| C24 | N9 | sing | 1.38Å | 0.00Å | |
| C11 | H13 | sing | 1.09Å | 0.00Å | |
| C11 | H20 | sing | 1.09Å | 0.00Å | |
| C12 | H21 | sing | 1.09Å | 0.00Å | |
| C14 | H22 | sing | 1.09Å | 0.00Å | |
| C15 | H23 | sing | 1.09Å | 0.00Å | |
| C16 | H24 | sing | 1.09Å | 0.00Å | |
| C20 | H25 | sing | 1.08Å | 0.00Å | |
| C22 | H26 | sing | 1.08Å | 0.00Å | |
| O11 | H27 | sing | 0.97Å | 0.00Å | |
| O12 | H28 | sing | 0.97Å | 0.00Å | |
| N9 | H29 | sing | 0.97Å | 0.00Å | |
| N9 | H30 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O14 | P3 | O10 | 107.6° | 109.5° |
| O14 | P3 | O8 | 109.9° | 109.5° |
| O14 | P3 | O9 | 109.2° | 109.5° |
| O10 | P3 | O8 | 109.1° | 109.5° |
| O10 | P3 | O9 | 109.9° | 109.5° |
| P3 | O10 | C11 | 172.6° | 123.0° |
| O6 | P1 | O16 | 109.2° | 109.5° |
| O6 | P1 | C10 | 108.0° | 109.5° |
| O6 | P1 | O5 | 109.1° | 109.5° |
| O8 | P3 | O9 | 111.1° | 109.5° |
| P3 | O8 | P2 | 128.2° | 134.0° |
| P3 | O9 | H19 | 109.5° | 114.0° |
| O8 | P2 | O7 | 108.7° | 109.4° |
| O8 | P2 | C10 | 116.4° | 109.4° |
| O8 | P2 | O15 | 107.6° | 109.5° |
| O16 | P1 | C10 | 113.1° | 109.5° |
| O16 | P1 | O5 | 109.1° | 109.4° |
| P1 | O16 | H15 | 109.5° | 114.0° |
| C10 | P1 | O5 | 108.2° | 109.5° |
| P1 | C10 | P2 | 107.6° | 109.5° |
| P1 | C10 | H8 | 110.0° | 109.5° |
| P1 | C10 | H9 | 109.9° | 109.4° |
| P1 | O5 | P | 129.3° | 134.0° |
| O7 | P2 | C10 | 109.1° | 109.4° |
| O7 | P2 | O15 | 108.3° | 109.5° |
| C10 | P2 | O15 | 106.5° | 109.5° |
| P2 | C10 | H8 | 109.9° | 109.5° |
| P2 | C10 | H9 | 109.9° | 109.5° |
| P2 | O15 | H14 | 109.5° | 114.0° |
| O5 | P | O | 109.1° | 109.5° |
| O5 | P | O17 | 108.4° | 109.5° |
| O5 | P | O1 | 110.8° | 109.4° |
| O | P | O17 | 109.8° | 109.5° |
| O | P | O1 | 109.1° | 109.5° |
| O17 | P | O1 | 109.6° | 109.4° |
| P | O17 | H16 | 109.5° | 114.0° |
| P | O1 | C | 110.6° | 123.0° |
| O1 | C | C1 | 112.5° | 109.5° |
| O1 | C | H5 | 108.7° | 109.5° |
| O1 | C | H6 | 108.7° | 109.5° |
| C | C1 | C4 | 111.7° | 110.4° |
| C | C1 | O2 | 106.8° | 110.4° |
| C1 | C | H5 | 108.7° | 109.5° |
| C1 | C | H6 | 108.7° | 109.4° |
| C | C1 | H7 | 109.4° | 110.3° |
| C4 | C1 | O2 | 108.4° | 104.8° |
| C1 | C4 | O3 | 109.0° | 110.5° |
| C1 | C4 | C3 | 103.9° | 104.1° |
| C1 | C4 | H2 | 111.3° | 110.6° |
| C4 | C1 | H7 | 109.4° | 110.4° |
| C1 | O2 | C2 | 109.0° | 105.3° |
| O2 | C1 | H7 | 111.0° | 110.5° |
| O3 | C4 | C3 | 107.8° | 110.5° |
| O3 | C4 | H2 | 113.0° | 110.5° |
| C4 | O3 | H17 | 109.5° | 114.0° |
| C4 | C3 | C2 | 104.5° | 104.1° |
| C4 | C3 | O4 | 110.2° | 110.5° |
| C4 | C3 | H1 | 110.0° | 110.6° |
| C3 | C4 | H2 | 111.4° | 110.5° |
| O2 | C2 | C3 | 105.7° | 104.8° |
| O2 | C2 | N | 106.9° | 110.4° |
| O2 | C2 | H10 | 111.2° | 110.4° |
| C2 | C3 | O4 | 110.2° | 110.5° |
| C3 | C2 | N | 112.7° | 110.3° |
| C2 | C3 | H1 | 110.1° | 110.5° |
| C3 | C2 | H10 | 109.8° | 110.4° |
| O4 | C3 | H1 | 111.6° | 110.5° |
| C3 | O4 | H18 | 109.5° | 114.0° |
| N | C5 | N1 | 108.5° | 110.0° |
| C5 | N | C2 | 126.7° | 126.3° |
| C5 | N | C7 | 108.1° | 107.5° |
| N | C5 | H3 | 125.8° | 125.0° |
| C5 | N1 | C6 | 108.5° | 109.4° |
| N1 | C5 | H3 | 125.7° | 125.0° |
| C2 | N | C7 | 125.2° | 126.3° |
| N | C2 | H10 | 110.5° | 110.4° |
| N | C7 | C6 | 107.2° | 106.0° |
| N | C7 | N2 | 132.1° | 135.0° |
| N1 | C6 | C7 | 107.7° | 107.2° |
| N1 | C6 | C9 | 133.2° | 134.7° |
| C6 | C7 | N2 | 120.7° | 119.0° |
| C7 | C6 | C9 | 119.1° | 118.2° |
| C7 | N2 | C8 | 120.2° | 120.7° |
| C6 | C9 | N4 | 120.9° | 120.8° |
| C6 | C9 | N3 | 118.8° | 118.4° |
| N2 | C8 | N3 | 121.2° | 122.5° |
| N2 | C8 | H4 | 119.4° | 118.7° |
| N4 | C9 | N3 | 120.3° | 120.8° |
| C9 | N4 | H11 | 109.5° | 120.0° |
| C9 | N4 | H12 | 109.4° | 120.0° |
| C9 | N3 | C8 | 120.0° | 121.2° |
| N3 | C8 | H4 | 119.4° | 118.8° |
| H5 | C | H6 | 109.5° | 109.5° |
| H8 | C10 | H9 | 109.5° | 109.5° |
| H11 | N4 | H12 | 109.5° | 120.0° |
| O10 | C11 | C12 | 90.0° | 109.4° |
| O10 | C11 | H13 | 90.0° | 109.5° |
| O10 | C11 | H20 | 90.0° | 109.5° |
| C11 | C12 | O13 | 90.0° | 110.6° |
| C11 | C12 | C16 | 90.0° | 110.6° |
| C12 | C11 | H13 | 90.0° | 109.5° |
| C12 | C11 | H20 | 90.0° | 109.5° |
| C11 | C12 | H21 | 90.0° | 110.6° |
| C12 | O13 | C14 | 90.0° | 107.0° |
| O13 | C12 | C16 | 90.0° | 103.5° |
| O13 | C12 | H21 | 90.0° | 110.7° |
| O13 | C14 | C15 | 90.0° | 107.3° |
| O13 | C14 | N5 | 90.0° | 109.9° |
| O13 | C14 | H22 | 90.0° | 109.9° |
| C14 | C15 | C16 | 90.0° | 104.2° |
| C15 | C14 | N5 | 90.0° | 109.9° |
| C14 | C15 | O12 | 90.0° | 110.5° |
| C15 | C14 | H22 | 90.0° | 109.9° |
| C14 | C15 | H23 | 90.0° | 110.5° |
| C15 | C16 | C12 | 90.0° | 102.1° |
| C15 | C16 | O11 | 90.0° | 110.9° |
| C16 | C15 | O12 | 90.0° | 110.5° |
| C16 | C15 | H23 | 90.0° | 110.5° |
| C15 | C16 | H24 | 90.0° | 110.9° |
| C12 | C16 | O11 | 90.0° | 110.9° |
| C16 | C12 | H21 | 90.0° | 110.7° |
| C12 | C16 | H24 | 90.0° | 111.0° |
| C14 | N5 | C17 | 90.0° | 126.3° |
| C14 | N5 | C20 | 90.0° | 126.3° |
| N5 | C14 | H22 | 90.0° | 110.0° |
| N5 | C17 | C18 | 90.0° | 106.0° |
| C17 | N5 | C20 | 90.0° | 107.4° |
| N5 | C17 | N7 | 90.0° | 134.9° |
| C17 | C18 | N6 | 90.0° | 107.1° |
| C18 | C17 | N7 | 90.0° | 119.1° |
| C17 | C18 | C24 | 90.0° | 118.2° |
| C18 | N6 | C20 | 90.0° | 109.4° |
| N6 | C18 | C24 | 90.0° | 134.7° |
| N6 | C20 | N5 | 90.0° | 110.0° |
| N6 | C20 | H25 | 90.0° | 125.0° |
| N5 | C20 | H25 | 90.0° | 125.0° |
| C17 | N7 | C22 | 90.0° | 120.7° |
| N7 | C22 | N8 | 90.0° | 122.4° |
| N7 | C22 | H26 | 90.0° | 118.8° |
| C22 | N8 | C24 | 90.0° | 121.2° |
| N8 | C22 | H26 | 90.0° | 118.7° |
| N8 | C24 | C18 | 90.0° | 118.4° |
| N8 | C24 | N9 | 90.0° | 120.8° |
| C18 | C24 | N9 | 90.0° | 120.7° |
| O11 | C16 | H24 | 90.0° | 110.8° |
| C16 | O11 | H27 | 90.0° | 114.0° |
| O12 | C15 | H23 | 90.0° | 110.5° |
| C15 | O12 | H28 | 90.0° | 114.0° |
| C24 | N9 | H29 | 90.0° | 120.0° |
| C24 | N9 | H30 | 90.0° | 120.0° |
| H13 | C11 | H20 | 90.0° | 109.5° |
| H29 | N9 | H30 | 90.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O14 | P3 | O10 | O8 | 119.2° | 120.0° |
| O14 | P3 | O10 | O9 | 118.8° | 120.0° |
| O14 | P3 | O8 | O9 | 121.0° | 120.0° |
| O14 | P3 | O8 | P2 | 159.6° | 40.0° |
| O14 | P3 | O9 | H19 | 0.0° | 179.9° |
| O14 | P3 | O10 | C11 | 62.0° | 55.0° |
| O10 | P3 | O8 | O9 | 121.3° | 120.0° |
| O10 | P3 | O8 | P2 | 41.9° | 160.0° |
| O10 | P3 | O9 | H19 | 117.7° | 60.1° |
| P3 | O10 | C11 | C12 | 90.0° | 180.0° |
| P3 | O10 | C11 | H13 | 90.0° | 60.1° |
| P3 | O10 | C11 | H20 | 90.0° | 60.0° |
| O6 | P1 | O16 | C10 | 120.3° | 120.0° |
| O6 | P1 | O16 | O5 | 119.2° | 120.0° |
| O6 | P1 | C10 | O5 | 118.0° | 120.1° |
| O6 | P1 | C10 | P2 | 58.4° | 60.0° |
| O6 | P1 | O5 | P | 165.5° | 59.9° |
| O6 | P1 | C10 | H8 | 178.1° | 60.0° |
| O6 | P1 | C10 | H9 | 61.3° | 180.0° |
| O6 | P1 | O16 | H15 | 0.0° | 180.0° |
| P3 | O8 | P2 | O7 | 34.3° | 60.0° |
| P3 | O8 | P2 | C10 | 157.9° | 180.0° |
| P3 | O8 | P2 | O15 | 82.8° | 60.0° |
| O8 | P3 | O9 | H19 | 121.4° | 60.0° |
| O8 | P3 | O10 | C11 | 57.1° | 175.0° |
| O9 | P3 | O8 | P2 | 79.4° | 80.0° |
| O9 | P3 | O10 | C11 | 179.2° | 65.0° |
| O8 | P2 | C10 | P1 | 32.4° | 180.0° |
| O8 | P2 | O7 | C10 | 127.9° | 119.9° |
| O8 | P2 | O7 | O15 | 116.6° | 120.0° |
| O8 | P2 | C10 | O15 | 119.9° | 120.0° |
| O8 | P2 | C10 | H8 | 152.1° | 60.0° |
| O8 | P2 | C10 | H9 | 87.3° | 60.1° |
| O8 | P2 | O15 | H14 | 117.4° | 60.1° |
| O16 | P1 | C10 | O5 | 121.0° | 120.0° |
| O16 | P1 | C10 | P2 | 179.3° | 60.0° |
| O16 | P1 | O5 | P | 46.3° | 60.0° |
| O16 | P1 | C10 | H8 | 60.9° | 180.0° |
| O16 | P1 | C10 | H9 | 59.7° | 60.0° |
| P1 | C10 | P2 | O7 | 155.9° | 60.1° |
| P1 | C10 | P2 | H8 | 119.7° | 120.0° |
| P1 | C10 | P2 | H9 | 119.7° | 119.9° |
| P1 | C10 | P2 | O15 | 87.5° | 60.0° |
| C10 | P1 | O5 | P | 77.2° | 180.0° |
| P1 | C10 | H8 | H9 | 120.9° | 120.0° |
| C10 | P1 | O16 | H15 | 120.3° | 60.0° |
| O5 | P1 | C10 | P2 | 59.6° | 179.9° |
| P1 | O5 | P | O | 49.5° | 45.1° |
| P1 | O5 | P | O17 | 169.1° | 75.0° |
| P1 | O5 | P | O1 | 70.7° | 165.1° |
| O5 | P1 | C10 | H8 | 60.1° | 60.0° |
| O5 | P1 | C10 | H9 | 179.3° | 60.0° |
| O5 | P1 | O16 | H15 | 119.1° | 60.0° |
| O7 | P2 | C10 | O15 | 116.7° | 120.0° |
| O7 | P2 | C10 | H8 | 84.4° | 59.9° |
| O7 | P2 | C10 | H9 | 36.1° | 180.0° |
| O7 | P2 | O15 | H14 | 0.0° | 180.0° |
| P2 | C10 | H8 | H9 | 120.8° | 120.0° |
| C10 | P2 | O15 | H14 | 117.2° | 59.9° |
| O15 | P2 | C10 | H8 | 32.3° | 180.0° |
| O15 | P2 | C10 | H9 | 152.8° | 59.9° |
| O5 | P | O | O17 | 118.7° | 120.0° |
| O5 | P | O | O1 | 121.2° | 120.0° |
| O5 | P | O17 | O1 | 121.0° | 119.9° |
| O5 | P | O1 | C | 81.9° | 175.0° |
| O5 | P | O17 | H16 | 119.2° | 60.0° |
| O | P | O17 | O1 | 119.9° | 120.0° |
| O | P | O1 | C | 158.0° | 55.0° |
| O | P | O17 | H16 | 0.0° | 180.0° |
| O17 | P | O1 | C | 37.7° | 65.1° |
| P | O1 | C | C1 | 142.3° | 180.0° |
| P | O1 | C | H5 | 97.2° | 59.9° |
| P | O1 | C | H6 | 21.9° | 60.1° |
| O1 | P | O17 | H16 | 119.9° | 60.0° |
| O1 | C | C1 | H5 | 120.5° | 120.1° |
| O1 | C | C1 | H6 | 120.4° | 120.0° |
| O1 | C | C1 | C4 | 31.2° | 175.0° |
| O1 | C | C1 | O2 | 87.2° | 69.6° |
| O1 | C | H5 | H6 | 118.6° | 120.0° |
| O1 | C | C1 | H7 | 152.5° | 52.8° |
| C | C1 | C4 | O2 | 117.4° | 118.9° |
| C | C1 | C4 | H7 | 121.3° | 122.2° |
| C | C1 | O2 | H7 | 119.2° | 122.3° |
| C | C1 | C4 | O3 | 127.2° | 98.6° |
| C | C1 | C4 | C3 | 118.2° | 142.8° |
| C | C1 | O2 | C2 | 139.6° | 159.4° |
| C | C1 | C4 | H2 | 1.8° | 24.1° |
| C1 | C | H5 | H6 | 118.6° | 119.9° |
| C4 | C1 | O2 | H7 | 120.3° | 118.8° |
| C1 | C4 | O3 | C3 | 112.2° | 114.6° |
| C1 | C4 | O3 | H2 | 124.3° | 122.7° |
| C1 | C4 | C3 | H2 | 120.0° | 118.7° |
| C4 | C1 | O2 | C2 | 19.0° | 40.5° |
| C1 | C4 | C3 | C2 | 16.1° | 0.0° |
| C1 | C4 | C3 | O4 | 134.5° | 118.6° |
| C1 | C4 | C3 | H1 | 102.0° | 118.7° |
| C4 | C1 | C | H5 | 89.3° | 54.9° |
| C4 | C1 | C | H6 | 151.6° | 65.0° |
| C1 | C4 | O3 | H17 | 180.0° | 176.1° |
| O2 | C1 | C4 | O3 | 115.4° | 142.6° |
| O2 | C1 | C4 | C3 | 0.7° | 23.9° |
| C1 | O2 | C2 | C3 | 29.4° | 40.5° |
| C1 | O2 | C2 | N | 149.6° | 159.3° |
| O2 | C1 | C4 | H2 | 119.3° | 94.7° |
| O2 | C1 | C | H5 | 152.3° | 170.3° |
| O2 | C1 | C | H6 | 33.2° | 50.4° |
| C1 | O2 | C2 | H10 | 89.7° | 78.3° |
| O3 | C4 | C3 | H2 | 124.5° | 122.6° |
| O3 | C4 | C3 | C2 | 99.5° | 118.6° |
| O3 | C4 | C3 | O4 | 18.9° | 0.0° |
| O3 | C4 | C3 | H1 | 142.4° | 122.7° |
| O3 | C4 | C1 | H7 | 5.8° | 23.7° |
| C4 | C3 | C2 | O2 | 27.8° | 24.0° |
| C4 | C3 | C2 | O4 | 118.4° | 118.6° |
| C4 | C3 | C2 | H1 | 118.1° | 118.8° |
| C4 | C3 | O4 | H1 | 122.6° | 122.8° |
| C4 | C3 | C2 | N | 144.2° | 142.8° |
| C3 | C4 | C1 | H7 | 120.5° | 95.0° |
| C4 | C3 | C2 | H10 | 92.2° | 94.9° |
| C3 | C4 | O3 | H17 | 67.8° | 61.5° |
| C4 | C3 | O4 | H18 | 180.0° | 65.4° |
| O2 | C2 | C3 | N | 116.4° | 118.8° |
| O2 | C2 | C3 | H10 | 120.0° | 118.9° |
| O2 | C2 | C3 | O4 | 146.2° | 142.6° |
| O2 | C2 | N | C5 | 84.9° | 20.4° |
| O2 | C2 | N | H10 | 121.1° | 122.4° |
| O2 | C2 | N | C7 | 93.3° | 159.6° |
| O2 | C2 | C3 | H1 | 90.3° | 94.8° |
| C2 | O2 | C1 | H7 | 101.3° | 78.3° |
| C2 | C3 | O4 | H1 | 122.6° | 122.6° |
| C3 | C2 | N | C5 | 30.8° | 95.0° |
| C3 | C2 | N | H10 | 123.2° | 122.3° |
| C3 | C2 | N | C7 | 151.1° | 85.1° |
| C2 | C3 | C4 | H2 | 136.1° | 118.8° |
| C2 | C3 | O4 | H18 | 65.2° | 180.0° |
| O4 | C3 | C2 | N | 97.4° | 98.6° |
| O4 | C3 | C4 | H2 | 105.6° | 122.6° |
| O4 | C3 | C2 | H10 | 26.2° | 23.7° |
| N | C5 | N1 | H3 | 180.0° | 180.0° |
| C5 | N | C2 | C7 | 178.1° | 179.9° |
| N | C5 | N1 | C6 | 0.7° | 0.0° |
| C5 | N | C7 | C6 | 0.6° | 0.0° |
| C5 | N | C7 | N2 | 179.7° | 180.0° |
| C5 | N | C2 | H10 | 154.0° | 142.7° |
| N1 | C5 | N | C2 | 179.2° | 180.0° |
| N1 | C5 | N | C7 | 0.8° | 0.0° |
| C5 | N1 | C6 | C7 | 0.3° | 0.0° |
| C5 | N1 | C6 | C9 | 179.8° | 180.0° |
| C2 | N | C7 | C6 | 179.0° | 180.0° |
| C2 | N | C7 | N2 | 1.3° | 0.1° |
| N | C2 | C3 | H1 | 26.1° | 24.0° |
| C2 | N | C5 | H3 | 0.8° | 0.0° |
| N | C7 | C6 | N1 | 0.2° | 0.0° |
| N | C7 | C6 | N2 | 179.7° | 180.0° |
| N | C7 | C6 | C9 | 179.4° | 180.0° |
| N | C7 | N2 | C8 | 179.5° | 180.0° |
| C7 | N | C5 | H3 | 179.2° | 180.0° |
| C7 | N | C2 | H10 | 27.9° | 37.2° |
| N1 | C6 | C7 | C9 | 179.6° | 180.0° |
| N1 | C6 | C7 | N2 | 179.9° | 180.0° |
| N1 | C6 | C9 | N4 | 0.4° | 0.0° |
| N1 | C6 | C9 | N3 | 179.8° | 180.0° |
| C6 | N1 | C5 | H3 | 179.3° | 180.0° |
| C6 | C7 | N2 | C8 | 0.1° | 0.1° |
| C7 | C6 | C9 | N4 | 179.9° | 180.0° |
| C7 | C6 | C9 | N3 | 0.4° | 0.0° |
| N2 | C7 | C6 | C9 | 0.3° | 0.0° |
| C7 | N2 | C8 | N3 | 0.1° | 0.1° |
| C7 | N2 | C8 | H4 | 179.9° | 180.0° |
| C6 | C9 | N4 | N3 | 179.8° | 180.0° |
| C6 | C9 | N3 | C8 | 0.2° | 0.0° |
| C6 | C9 | N4 | H11 | 179.8° | 0.0° |
| C6 | C9 | N4 | H12 | 59.8° | 180.0° |
| N2 | C8 | N3 | C9 | 0.0° | 0.1° |
| N2 | C8 | N3 | H4 | 180.0° | 179.9° |
| N4 | C9 | N3 | C8 | 179.9° | 180.0° |
| C9 | N4 | H11 | H12 | 120.0° | 180.0° |
| C9 | N3 | C8 | H4 | 180.0° | 180.0° |
| N3 | C9 | N4 | H11 | 0.0° | 180.0° |
| N3 | C9 | N4 | H12 | 120.0° | 0.0° |
| H1 | C3 | C4 | H2 | 17.9° | 0.0° |
| H1 | C3 | C2 | H10 | 149.7° | 146.3° |
| H1 | C3 | O4 | H18 | 57.4° | 57.4° |
| H2 | C4 | C1 | H7 | 119.5° | 146.4° |
| H2 | C4 | O3 | H17 | 55.7° | 61.2° |
| H5 | C | C1 | H7 | 32.1° | 67.3° |
| H6 | C | C1 | H7 | 87.0° | 172.8° |
| O10 | C11 | C12 | H13 | 90.0° | 119.9° |
| O10 | C11 | C12 | H20 | 90.0° | 120.0° |
| O10 | C11 | C12 | O13 | 90.0° | 66.5° |
| O10 | C11 | C12 | C16 | 90.0° | 179.5° |
| O10 | C11 | H13 | H20 | 90.0° | 120.0° |
| O10 | C11 | C12 | H21 | 90.0° | 56.5° |
| C11 | C12 | O13 | C16 | 90.0° | 118.5° |
| C11 | C12 | O13 | H21 | 90.0° | 122.9° |
| C11 | C12 | O13 | C14 | 90.0° | 158.5° |
| C11 | C12 | C16 | C15 | 90.0° | 155.5° |
| C11 | C12 | C16 | H21 | 90.0° | 122.9° |
| C11 | C12 | C16 | O11 | 90.0° | 37.4° |
| C12 | C11 | H13 | H20 | 90.0° | 120.1° |
| C11 | C12 | C16 | H24 | 90.0° | 86.3° |
| C12 | O13 | C14 | C15 | 90.0° | 26.5° |
| O13 | C12 | C16 | C15 | 90.0° | 37.0° |
| O13 | C12 | C16 | H21 | 90.0° | 118.6° |
| C12 | O13 | C14 | N5 | 90.0° | 92.9° |
| O13 | C12 | C16 | O11 | 90.0° | 81.1° |
| O13 | C12 | C11 | H13 | 90.0° | 53.4° |
| O13 | C12 | C11 | H20 | 90.0° | 173.5° |
| C12 | O13 | C14 | H22 | 90.0° | 145.9° |
| O13 | C12 | C16 | H24 | 90.0° | 155.2° |
| O13 | C14 | C15 | N5 | 90.0° | 119.4° |
| O13 | C14 | C15 | H22 | 90.0° | 119.4° |
| O13 | C14 | C15 | C16 | 90.0° | 2.0° |
| C14 | O13 | C12 | C16 | 90.0° | 40.1° |
| O13 | C14 | N5 | H22 | 90.0° | 121.1° |
| O13 | C14 | N5 | C17 | 90.0° | 156.4° |
| O13 | C14 | N5 | C20 | 90.0° | 23.8° |
| O13 | C14 | C15 | O12 | 90.0° | 120.7° |
| C14 | O13 | C12 | H21 | 90.0° | 78.6° |
| O13 | C14 | C15 | H23 | 90.0° | 116.7° |
| C14 | C15 | C16 | O12 | 90.0° | 118.7° |
| C14 | C15 | C16 | H23 | 90.0° | 118.7° |
| C14 | C15 | C16 | C12 | 90.0° | 20.9° |
| C15 | C14 | N5 | H22 | 90.0° | 121.1° |
| C15 | C14 | N5 | C17 | 90.0° | 85.8° |
| C15 | C14 | N5 | C20 | 90.0° | 94.0° |
| C14 | C15 | C16 | O11 | 90.0° | 97.3° |
| C14 | C15 | O12 | H23 | 90.0° | 122.6° |
| C14 | C15 | C16 | H24 | 90.0° | 139.1° |
| C14 | C15 | O12 | H28 | 90.0° | 180.0° |
| C15 | C16 | C12 | O11 | 90.0° | 118.2° |
| C15 | C16 | C12 | H24 | 90.0° | 118.2° |
| C16 | C15 | C14 | N5 | 90.0° | 117.4° |
| C15 | C16 | O11 | H24 | 90.0° | 123.6° |
| C16 | C15 | O12 | H23 | 90.0° | 122.6° |
| C15 | C16 | C12 | H21 | 90.0° | 81.6° |
| C16 | C15 | C14 | H22 | 90.0° | 121.4° |
| C15 | C16 | O11 | H27 | 90.0° | 61.5° |
| C16 | C15 | O12 | H28 | 90.0° | 65.3° |
| C12 | C16 | O11 | H24 | 90.0° | 123.7° |
| C12 | C16 | C15 | O12 | 90.0° | 97.8° |
| C16 | C12 | C11 | H13 | 90.0° | 60.6° |
| C16 | C12 | C11 | H20 | 90.0° | 59.5° |
| C12 | C16 | C15 | H23 | 90.0° | 139.6° |
| C12 | C16 | O11 | H27 | 90.0° | 174.1° |
| C14 | N5 | C17 | C20 | 90.0° | 179.8° |
| C14 | N5 | C17 | C18 | 90.0° | 180.0° |
| C14 | N5 | C20 | N6 | 90.0° | 179.9° |
| C14 | N5 | C17 | N7 | 90.0° | 0.1° |
| N5 | C14 | C15 | O12 | 90.0° | 1.3° |
| N5 | C14 | C15 | H23 | 90.0° | 123.9° |
| C14 | N5 | C20 | H25 | 90.0° | 0.2° |
| N5 | C17 | C18 | N7 | 90.0° | 179.9° |
| N5 | C17 | C18 | N6 | 90.0° | 0.1° |
| C17 | N5 | C20 | N6 | 90.0° | 0.3° |
| N5 | C17 | N7 | C22 | 90.0° | 179.9° |
| N5 | C17 | C18 | C24 | 90.0° | 180.0° |
| C17 | N5 | C14 | H22 | 90.0° | 35.3° |
| C17 | N5 | C20 | H25 | 90.0° | 180.0° |
| C17 | C18 | N6 | C24 | 90.0° | 179.9° |
| C17 | C18 | N6 | C20 | 90.0° | 0.3° |
| C18 | C17 | N5 | C20 | 90.0° | 0.2° |
| C18 | C17 | N7 | C22 | 90.0° | 0.1° |
| C17 | C18 | C24 | N8 | 90.0° | 0.1° |
| C17 | C18 | C24 | N9 | 90.0° | 180.0° |
| C18 | N6 | C20 | N5 | 90.0° | 0.4° |
| N6 | C18 | C17 | N7 | 90.0° | 180.0° |
| N6 | C18 | C24 | N8 | 90.0° | 179.9° |
| N6 | C18 | C24 | N9 | 90.0° | 0.1° |
| C18 | N6 | C20 | H25 | 90.0° | 179.9° |
| N6 | C20 | N5 | H25 | 90.0° | 179.7° |
| C20 | N6 | C18 | C24 | 90.0° | 179.8° |
| C20 | N5 | C17 | N7 | 90.0° | 179.7° |
| C20 | N5 | C14 | H22 | 90.0° | 144.9° |
| C17 | N7 | C22 | N8 | 90.0° | 0.0° |
| N7 | C17 | C18 | C24 | 90.0° | 0.1° |
| C17 | N7 | C22 | H26 | 90.0° | 179.9° |
| N7 | C22 | N8 | H26 | 90.0° | 179.9° |
| N7 | C22 | N8 | C24 | 90.0° | 0.1° |
| C22 | N8 | C24 | C18 | 90.0° | 0.0° |
| C22 | N8 | C24 | N9 | 90.0° | 179.9° |
| N8 | C24 | C18 | N9 | 90.0° | 179.9° |
| C24 | N8 | C22 | H26 | 90.0° | 180.0° |
| N8 | C24 | N9 | H29 | 90.0° | 0.1° |
| N8 | C24 | N9 | H30 | 90.0° | 180.0° |
| C18 | C24 | N9 | H29 | 90.0° | 180.0° |
| C18 | C24 | N9 | H30 | 90.0° | 0.1° |
| O11 | C16 | C15 | O12 | 90.0° | 144.0° |
| O11 | C16 | C12 | H21 | 90.0° | 160.2° |
| O11 | C16 | C15 | H23 | 90.0° | 21.4° |
| O12 | C15 | C14 | H22 | 90.0° | 119.9° |
| O12 | C15 | C16 | H24 | 90.0° | 20.4° |
| C24 | N9 | H29 | H30 | 90.0° | 179.9° |
| H13 | C11 | C12 | H21 | 90.0° | 176.4° |
| H20 | C11 | C12 | H21 | 90.0° | 63.5° |
| H21 | C12 | C16 | H24 | 90.0° | 36.6° |
| H22 | C14 | C15 | H23 | 90.0° | 2.7° |
| H23 | C15 | C16 | H24 | 90.0° | 102.2° |
| H23 | C15 | O12 | H28 | 90.0° | 57.4° |
| H24 | C16 | O11 | H27 | 90.0° | 62.2° |
