66M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | N1 | doub | 1.32Å | 1.34Å | Aromatic |
| C3 | N | sing | 1.32Å | 1.34Å | Aromatic |
| N1 | C | sing | 1.33Å | 1.34Å | Aromatic |
| O16 | C6 | sing | 1.43Å | 1.43Å | |
| N | C2 | doub | 1.33Å | 1.35Å | Aromatic |
| C6 | C5 | sing | 1.54Å | 1.52Å | |
| C6 | C7 | sing | 1.55Å | 1.52Å | |
| C | C1 | doub | 1.40Å | 1.39Å | Aromatic |
| C | N3 | sing | 1.37Å | 1.38Å | Aromatic |
| O15 | C7 | sing | 1.43Å | 1.43Å | |
| C2 | N2 | sing | 1.38Å | 1.34Å | |
| C2 | C1 | sing | 1.41Å | 1.41Å | Aromatic |
| C5 | N3 | sing | 1.46Å | 1.48Å | |
| C5 | O | sing | 1.44Å | 1.42Å | |
| C7 | C8 | sing | 1.54Å | 1.54Å | |
| C1 | N4 | sing | 1.35Å | 1.39Å | Aromatic |
| N3 | C4 | sing | 1.36Å | 1.37Å | Aromatic |
| O | C8 | sing | 1.44Å | 1.43Å | |
| C8 | C9 | sing | 1.51Å | 1.51Å | |
| C4 | N4 | doub | 1.30Å | 1.31Å | Aromatic |
| C9 | O1 | doub | 1.21Å | 1.23Å | |
| C9 | N5 | sing | 1.35Å | 1.34Å | |
| N5 | C10 | sing | 1.46Å | 1.45Å | |
| C10 | C11 | sing | 1.53Å | 1.51Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| O12 | C52 | doub | 1.21Å | 1.23Å | |
| O13 | C52 | sing | 1.34Å | 1.31Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C52 | C16 | sing | 1.51Å | 1.53Å | |
| C14 | C15 | sing | 1.51Å | 1.51Å | |
| N6 | C16 | sing | 1.46Å | 1.45Å | |
| N6 | C15 | sing | 1.35Å | 1.33Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C15 | O14 | doub | 1.21Å | 1.24Å | |
| C17 | C18 | sing | 1.51Å | 1.49Å | |
| C18 | O11 | doub | 1.21Å | 1.23Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C7 | H15 | sing | 1.09Å | 1.10Å | |
| N2 | H16 | sing | 0.97Å | 1.00Å | |
| N2 | H17 | sing | 0.97Å | 1.00Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| C10 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| N5 | H22 | sing | 0.97Å | 1.00Å | |
| O15 | H23 | sing | 0.97Å | 0.95Å | |
| O16 | H24 | sing | 0.97Å | 0.95Å | |
| C3 | H25 | sing | 1.08Å | 1.08Å | |
| N6 | H26 | sing | 0.97Å | 1.00Å | |
| O13 | H27 | sing | 0.97Å | 0.95Å | |
| C18 | O2 | sing | 1.34Å | 41.08Å | |
| O2 | H14 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C3 | N | 128.9° | 122.4° |
| C3 | N1 | C | 111.3° | 120.7° |
| N1 | C3 | H25 | 115.6° | 118.8° |
| C3 | N | C2 | 118.6° | 121.2° |
| N | C3 | H25 | 115.5° | 118.8° |
| N1 | C | C1 | 126.5° | 119.1° |
| N1 | C | N3 | 127.7° | 134.9° |
| O16 | C6 | C5 | 109.0° | 110.5° |
| O16 | C6 | C7 | 112.4° | 110.5° |
| O16 | C6 | H3 | 112.2° | 110.6° |
| C6 | O16 | H24 | 109.5° | 114.0° |
| N | C2 | N2 | 118.5° | 120.8° |
| N | C2 | C1 | 117.8° | 118.4° |
| C5 | C6 | C7 | 101.2° | 104.1° |
| C6 | C5 | N3 | 115.1° | 110.4° |
| C6 | C5 | O | 105.7° | 104.8° |
| C6 | C5 | H2 | 108.2° | 110.5° |
| C5 | C6 | H3 | 110.8° | 110.5° |
| C6 | C7 | O15 | 113.2° | 110.5° |
| C6 | C7 | C8 | 101.3° | 104.0° |
| C7 | C6 | H3 | 110.7° | 110.5° |
| C6 | C7 | H15 | 109.4° | 110.5° |
| C1 | C | N3 | 105.8° | 106.0° |
| C | C1 | C2 | 116.9° | 118.2° |
| C | C1 | N4 | 110.7° | 107.1° |
| C | N3 | C5 | 126.5° | 126.3° |
| C | N3 | C4 | 105.5° | 107.4° |
| O15 | C7 | C8 | 112.7° | 110.5° |
| O15 | C7 | H15 | 110.7° | 110.6° |
| C7 | O15 | H23 | 109.5° | 114.0° |
| N2 | C2 | C1 | 123.7° | 120.8° |
| C2 | N2 | H16 | 109.5° | 119.9° |
| C2 | N2 | H17 | 109.4° | 120.0° |
| C2 | C1 | N4 | 132.4° | 134.7° |
| N3 | C5 | O | 109.5° | 110.4° |
| C5 | N3 | C4 | 127.9° | 126.3° |
| N3 | C5 | H2 | 108.7° | 110.4° |
| C5 | O | C8 | 111.1° | 105.3° |
| O | C5 | H2 | 109.5° | 110.4° |
| C7 | C8 | O | 104.1° | 104.8° |
| C7 | C8 | C9 | 110.7° | 110.3° |
| C7 | C8 | H4 | 110.3° | 110.4° |
| C8 | C7 | H15 | 109.2° | 110.6° |
| C1 | N4 | C4 | 103.7° | 109.4° |
| N3 | C4 | N4 | 114.2° | 110.0° |
| N3 | C4 | H1 | 122.9° | 125.0° |
| O | C8 | C9 | 108.9° | 110.4° |
| O | C8 | H4 | 111.9° | 110.5° |
| C8 | C9 | O1 | 120.3° | 120.0° |
| C8 | C9 | N5 | 117.1° | 120.0° |
| C9 | C8 | H4 | 110.7° | 110.3° |
| N4 | C4 | H1 | 122.9° | 125.0° |
| O1 | C9 | N5 | 122.5° | 120.0° |
| C9 | N5 | C10 | 122.0° | 120.1° |
| C9 | N5 | H22 | 119.0° | 120.0° |
| N5 | C10 | C11 | 114.2° | 109.5° |
| N5 | C10 | H18 | 108.3° | 109.5° |
| N5 | C10 | H19 | 108.3° | 109.5° |
| C10 | N5 | H22 | 119.0° | 120.0° |
| C10 | C11 | C12 | 109.4° | 109.5° |
| C10 | C11 | H5 | 109.5° | 109.5° |
| C10 | C11 | H6 | 109.5° | 109.5° |
| C11 | C10 | H18 | 108.3° | 109.5° |
| C11 | C10 | H19 | 108.2° | 109.5° |
| C11 | C12 | C13 | 115.1° | 109.5° |
| C12 | C11 | H5 | 109.5° | 109.4° |
| C12 | C11 | H6 | 109.5° | 109.5° |
| C11 | C12 | H7 | 108.1° | 109.4° |
| C11 | C12 | H8 | 108.1° | 109.4° |
| C12 | C13 | C14 | 114.2° | 109.4° |
| C13 | C12 | H7 | 108.1° | 109.5° |
| C13 | C12 | H8 | 108.1° | 109.5° |
| C12 | C13 | H20 | 108.3° | 109.5° |
| C12 | C13 | H21 | 108.3° | 109.4° |
| O12 | C52 | O13 | 123.1° | 120.0° |
| O12 | C52 | C16 | 121.7° | 120.0° |
| O13 | C52 | C16 | 115.2° | 120.0° |
| C52 | O13 | H27 | 109.5° | 117.0° |
| C13 | C14 | C15 | 113.0° | 109.4° |
| C13 | C14 | H9 | 108.6° | 109.5° |
| C13 | C14 | H10 | 108.6° | 109.5° |
| C14 | C13 | H20 | 108.3° | 109.5° |
| C14 | C13 | H21 | 108.3° | 109.5° |
| C52 | C16 | N6 | 112.4° | 109.5° |
| C52 | C16 | C17 | 110.5° | 109.4° |
| C52 | C16 | H11 | 108.5° | 109.5° |
| C14 | C15 | N6 | 115.6° | 120.0° |
| C14 | C15 | O14 | 121.6° | 120.0° |
| C15 | C14 | H9 | 108.6° | 109.5° |
| C15 | C14 | H10 | 108.6° | 109.4° |
| C16 | N6 | C15 | 125.0° | 120.0° |
| N6 | C16 | C17 | 107.2° | 109.4° |
| N6 | C16 | H11 | 109.5° | 109.6° |
| C16 | N6 | H26 | 117.5° | 120.1° |
| N6 | C15 | O14 | 122.7° | 120.0° |
| C15 | N6 | H26 | 117.5° | 120.0° |
| C16 | C17 | C18 | 114.5° | 109.4° |
| C17 | C16 | H11 | 108.5° | 109.5° |
| C16 | C17 | H12 | 108.2° | 109.5° |
| C16 | C17 | H13 | 108.2° | 109.5° |
| C17 | C18 | O11 | 121.1° | 120.0° |
| C18 | C17 | H12 | 108.2° | 109.4° |
| C18 | C17 | H13 | 108.2° | 109.5° |
| C17 | C18 | O2 | 121.6° | 120.0° |
| O11 | C18 | O2 | 116.7° | 120.0° |
| H5 | C11 | H6 | 109.5° | 109.5° |
| H7 | C12 | H8 | 109.4° | 109.4° |
| H9 | C14 | H10 | 109.5° | 109.5° |
| H12 | C17 | H13 | 109.5° | 109.5° |
| H16 | N2 | H17 | 109.5° | 120.1° |
| H18 | C10 | H19 | 109.5° | 109.4° |
| H20 | C13 | H21 | 109.4° | 109.5° |
| C18 | O2 | H14 | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C3 | N | H25 | 180.0° | 180.0° |
| N1 | C3 | N | C2 | 0.7° | 0.0° |
| C3 | N1 | C | C1 | 0.1° | 0.0° |
| C3 | N1 | C | N3 | 179.9° | 180.0° |
| N | C3 | N1 | C | 0.7° | 0.0° |
| C3 | N | C2 | N2 | 177.4° | 180.0° |
| C3 | N | C2 | C1 | 0.0° | 0.0° |
| N1 | C | C1 | N3 | 180.0° | 180.0° |
| N1 | C | C1 | C2 | 0.5° | 0.0° |
| N1 | C | N3 | C5 | 0.9° | 0.0° |
| N1 | C | C1 | N4 | 180.0° | 180.0° |
| N1 | C | N3 | C4 | 179.4° | 180.0° |
| C | N1 | C3 | H25 | 179.3° | 180.0° |
| O16 | C6 | C5 | C7 | 118.6° | 118.6° |
| O16 | C6 | C5 | H3 | 123.9° | 122.7° |
| O16 | C6 | C7 | H3 | 126.4° | 122.7° |
| O16 | C6 | C7 | O15 | 44.6° | 0.0° |
| O16 | C6 | C5 | N3 | 152.8° | 98.6° |
| O16 | C6 | C5 | O | 86.2° | 142.6° |
| O16 | C6 | C7 | C8 | 76.3° | 118.6° |
| O16 | C6 | C5 | H2 | 31.0° | 23.8° |
| O16 | C6 | C7 | H15 | 168.5° | 122.7° |
| N | C2 | C1 | C | 0.5° | 0.0° |
| N | C2 | N2 | C1 | 177.2° | 180.0° |
| N | C2 | C1 | N4 | 179.9° | 180.0° |
| N | C2 | N2 | H16 | 0.0° | 180.0° |
| N | C2 | N2 | H17 | 120.0° | 0.0° |
| C2 | N | C3 | H25 | 179.3° | 180.0° |
| C5 | C6 | C7 | H3 | 117.5° | 118.7° |
| C6 | C5 | N3 | C | 81.8° | 88.2° |
| C5 | C6 | C7 | O15 | 160.7° | 118.6° |
| C6 | C5 | N3 | O | 118.9° | 115.3° |
| C6 | C5 | N3 | H2 | 121.5° | 122.4° |
| C6 | C5 | O | H2 | 116.3° | 118.9° |
| C5 | C6 | C7 | C8 | 39.9° | 0.0° |
| C6 | C5 | N3 | C4 | 100.0° | 91.9° |
| C6 | C5 | O | C8 | 11.5° | 40.6° |
| C5 | C6 | C7 | H15 | 75.3° | 118.7° |
| C5 | C6 | O16 | H24 | 180.0° | 180.0° |
| C6 | C7 | O15 | C8 | 114.2° | 114.6° |
| C6 | C7 | O15 | H15 | 123.2° | 122.6° |
| C7 | C6 | C5 | N3 | 88.6° | 142.8° |
| C7 | C6 | C5 | O | 32.5° | 24.0° |
| C6 | C7 | C8 | H15 | 115.4° | 118.7° |
| C6 | C7 | C8 | O | 34.0° | 24.0° |
| C6 | C7 | C8 | C9 | 150.9° | 142.8° |
| C7 | C6 | C5 | H2 | 149.7° | 94.9° |
| C6 | C7 | C8 | H4 | 86.2° | 95.0° |
| C6 | C7 | O15 | H23 | 180.0° | 179.9° |
| C7 | C6 | O16 | H24 | 68.7° | 65.4° |
| C | C1 | C2 | N2 | 176.7° | 180.0° |
| C | C1 | C2 | N4 | 179.4° | 180.0° |
| C1 | C | N3 | C5 | 179.1° | 180.0° |
| C1 | C | N3 | C4 | 0.6° | 0.0° |
| C | C1 | N4 | C4 | 0.5° | 0.0° |
| N3 | C | C1 | C2 | 179.5° | 180.0° |
| C | N3 | C5 | C4 | 178.2° | 179.9° |
| C | N3 | C5 | O | 159.3° | 156.5° |
| N3 | C | C1 | N4 | 0.1° | 0.0° |
| C | N3 | C4 | N4 | 1.0° | 0.0° |
| C | N3 | C4 | H1 | 179.0° | 180.0° |
| C | N3 | C5 | H2 | 39.7° | 34.2° |
| O15 | C7 | C8 | H15 | 123.4° | 122.8° |
| O15 | C7 | C8 | O | 155.3° | 142.6° |
| O15 | C7 | C8 | C9 | 87.9° | 98.6° |
| O15 | C7 | C6 | H3 | 81.8° | 122.7° |
| O15 | C7 | C8 | H4 | 35.0° | 23.6° |
| N2 | C2 | C1 | N4 | 2.7° | 0.0° |
| C2 | N2 | H16 | H17 | 120.0° | 180.0° |
| C2 | C1 | N4 | C4 | 180.0° | 180.0° |
| C1 | C2 | N2 | H16 | 177.2° | 0.0° |
| C1 | C2 | N2 | H17 | 62.8° | 180.0° |
| N3 | C5 | O | H2 | 119.1° | 122.3° |
| N3 | C5 | O | C8 | 113.1° | 159.4° |
| C5 | N3 | C4 | N4 | 179.5° | 180.0° |
| C5 | N3 | C4 | H1 | 0.5° | 0.0° |
| N3 | C5 | C6 | H3 | 28.9° | 24.2° |
| C5 | O | C8 | C7 | 14.5° | 40.6° |
| O | C5 | N3 | C4 | 18.9° | 23.5° |
| C5 | O | C8 | C9 | 132.6° | 159.3° |
| O | C5 | C6 | H3 | 149.9° | 94.7° |
| C5 | O | C8 | H4 | 104.7° | 78.3° |
| C7 | C8 | O | C9 | 118.2° | 118.8° |
| C7 | C8 | O | H4 | 119.2° | 118.9° |
| C7 | C8 | C9 | H4 | 122.7° | 122.2° |
| C7 | C8 | C9 | O1 | 54.2° | 113.4° |
| C7 | C8 | C9 | N5 | 130.7° | 66.5° |
| C8 | C7 | C6 | H3 | 157.4° | 118.7° |
| C8 | C7 | O15 | H23 | 65.8° | 65.5° |
| C1 | N4 | C4 | N3 | 0.9° | 0.0° |
| C1 | N4 | C4 | H1 | 179.1° | 180.0° |
| N3 | C4 | N4 | H1 | 180.0° | 180.0° |
| C4 | N3 | C5 | H2 | 138.5° | 145.7° |
| O | C8 | C9 | H4 | 123.4° | 122.5° |
| O | C8 | C9 | O1 | 59.7° | 1.9° |
| O | C8 | C9 | N5 | 115.4° | 178.1° |
| C8 | O | C5 | H2 | 127.8° | 78.4° |
| O | C8 | C7 | H15 | 81.3° | 94.6° |
| C8 | C9 | O1 | N5 | 174.8° | 180.0° |
| C8 | C9 | N5 | C10 | 178.7° | 180.0° |
| C9 | C8 | C7 | H15 | 35.5° | 24.2° |
| C8 | C9 | N5 | H22 | 1.3° | 0.0° |
| O1 | C9 | N5 | C10 | 3.7° | 0.1° |
| O1 | C9 | C8 | H4 | 176.9° | 124.4° |
| O1 | C9 | N5 | H22 | 176.3° | 180.0° |
| C9 | N5 | C10 | H22 | 180.0° | 180.0° |
| C9 | N5 | C10 | C11 | 78.8° | 180.0° |
| N5 | C9 | C8 | H4 | 8.0° | 55.7° |
| C9 | N5 | C10 | H18 | 160.5° | 59.9° |
| C9 | N5 | C10 | H19 | 41.9° | 60.0° |
| N5 | C10 | C11 | H18 | 120.7° | 120.1° |
| N5 | C10 | C11 | H19 | 120.7° | 120.0° |
| N5 | C10 | C11 | C12 | 171.5° | 180.0° |
| N5 | C10 | C11 | H5 | 51.5° | 60.0° |
| N5 | C10 | C11 | H6 | 68.5° | 60.0° |
| N5 | C10 | H18 | H19 | 117.9° | 119.9° |
| C10 | C11 | C12 | H5 | 120.0° | 120.0° |
| C10 | C11 | C12 | H6 | 120.0° | 120.0° |
| C10 | C11 | C12 | C13 | 165.1° | 180.0° |
| C10 | C11 | H5 | H6 | 120.0° | 120.0° |
| C10 | C11 | C12 | H7 | 44.3° | 59.9° |
| C10 | C11 | C12 | H8 | 74.0° | 60.0° |
| C11 | C10 | H18 | H19 | 117.8° | 120.0° |
| C11 | C10 | N5 | H22 | 101.3° | 0.0° |
| C11 | C12 | C13 | H7 | 120.8° | 120.0° |
| C11 | C12 | C13 | H8 | 120.8° | 120.0° |
| C11 | C12 | C13 | C14 | 171.5° | 180.0° |
| C12 | C11 | H5 | H6 | 120.0° | 120.0° |
| C11 | C12 | H7 | H8 | 117.4° | 119.9° |
| C12 | C11 | C10 | H18 | 67.8° | 60.0° |
| C12 | C11 | C10 | H19 | 50.8° | 60.0° |
| C11 | C12 | C13 | H20 | 50.8° | 60.0° |
| C11 | C12 | C13 | H21 | 67.8° | 60.0° |
| C12 | C13 | C14 | H20 | 120.7° | 120.0° |
| C12 | C13 | C14 | H21 | 120.7° | 119.9° |
| C12 | C13 | C14 | C15 | 51.0° | 179.9° |
| C13 | C12 | C11 | H5 | 74.9° | 60.0° |
| C13 | C12 | C11 | H6 | 45.1° | 59.9° |
| C13 | C12 | H7 | H8 | 117.5° | 120.0° |
| C12 | C13 | C14 | H9 | 69.5° | 60.0° |
| C12 | C13 | C14 | H10 | 171.5° | 60.0° |
| C12 | C13 | H20 | H21 | 117.8° | 120.0° |
| O12 | C52 | O13 | C16 | 178.5° | 179.9° |
| O12 | C52 | C16 | N6 | 100.9° | 0.1° |
| O12 | C52 | C16 | C17 | 18.9° | 120.0° |
| O12 | C52 | C16 | H11 | 137.8° | 120.0° |
| O12 | C52 | O13 | H27 | 0.0° | 0.1° |
| O13 | C52 | C16 | N6 | 77.6° | 180.0° |
| O13 | C52 | C16 | C17 | 162.6° | 60.1° |
| O13 | C52 | C16 | H11 | 43.7° | 59.9° |
| C13 | C14 | C15 | H9 | 120.5° | 120.0° |
| C13 | C14 | C15 | H10 | 120.5° | 120.0° |
| C13 | C14 | C15 | N6 | 104.5° | 180.0° |
| C13 | C14 | C15 | O14 | 71.9° | 0.1° |
| C14 | C13 | C12 | H7 | 67.7° | 60.0° |
| C14 | C13 | C12 | H8 | 50.6° | 60.0° |
| C13 | C14 | H9 | H10 | 118.4° | 120.0° |
| C14 | C13 | H20 | H21 | 117.8° | 120.1° |
| C52 | C16 | N6 | C17 | 121.7° | 119.9° |
| C52 | C16 | N6 | H11 | 120.7° | 120.1° |
| C52 | C16 | N6 | C15 | 96.6° | 85.0° |
| C52 | C16 | C17 | H11 | 118.9° | 120.0° |
| C52 | C16 | C17 | C18 | 71.4° | 175.0° |
| C52 | C16 | C17 | H12 | 49.3° | 55.1° |
| C52 | C16 | C17 | H13 | 167.8° | 65.0° |
| C52 | C16 | N6 | H26 | 83.4° | 95.0° |
| C16 | C52 | O13 | H27 | 178.5° | 180.0° |
| C14 | C15 | N6 | C16 | 171.0° | 179.9° |
| C14 | C15 | N6 | O14 | 176.4° | 179.9° |
| C15 | C14 | H9 | H10 | 118.4° | 120.0° |
| C15 | C14 | C13 | H20 | 171.7° | 60.1° |
| C15 | C14 | C13 | H21 | 69.7° | 60.0° |
| C14 | C15 | N6 | H26 | 9.0° | 0.0° |
| C16 | N6 | C15 | H26 | 180.0° | 180.0° |
| N6 | C16 | C17 | H11 | 118.2° | 120.1° |
| C16 | N6 | C15 | O14 | 5.4° | 0.0° |
| N6 | C16 | C17 | C18 | 165.7° | 65.0° |
| N6 | C16 | C17 | H12 | 73.6° | 175.0° |
| N6 | C16 | C17 | H13 | 44.9° | 55.0° |
| C15 | N6 | C16 | C17 | 141.7° | 155.0° |
| N6 | C15 | C14 | H9 | 16.0° | 60.0° |
| N6 | C15 | C14 | H10 | 135.0° | 60.1° |
| C15 | N6 | C16 | H11 | 24.1° | 35.0° |
| C16 | C17 | C18 | H12 | 120.7° | 120.0° |
| C16 | C17 | C18 | H13 | 120.7° | 120.0° |
| C16 | C17 | C18 | O11 | 56.3° | 0.0° |
| C16 | C17 | H12 | H13 | 117.7° | 120.0° |
| C17 | C16 | N6 | H26 | 38.3° | 24.9° |
| C16 | C17 | C18 | O2 | 115.0° | 179.9° |
| O14 | C15 | C14 | H9 | 167.6° | 119.9° |
| O14 | C15 | C14 | H10 | 48.6° | 120.0° |
| O14 | C15 | N6 | H26 | 174.7° | 180.0° |
| C17 | C18 | O11 | O2 | 171.8° | 179.9° |
| C18 | C17 | C16 | H11 | 47.5° | 55.0° |
| C18 | C17 | H12 | H13 | 117.7° | 120.0° |
| C17 | C18 | O2 | H14 | 90.0° | 180.0° |
| O11 | C18 | C17 | H12 | 177.0° | 120.0° |
| O11 | C18 | C17 | H13 | 64.4° | 120.0° |
| O11 | C18 | O2 | H14 | 90.0° | 0.1° |
| H2 | C5 | C6 | H3 | 92.9° | 146.5° |
| H3 | C6 | C7 | H15 | 42.2° | 0.0° |
| H3 | C6 | O16 | H24 | 56.9° | 57.3° |
| H4 | C8 | C7 | H15 | 158.4° | 146.4° |
| H5 | C11 | C12 | H7 | 164.3° | 60.1° |
| H5 | C11 | C12 | H8 | 45.9° | 180.0° |
| H5 | C11 | C10 | H18 | 172.2° | 179.9° |
| H5 | C11 | C10 | H19 | 69.2° | 60.0° |
| H6 | C11 | C12 | H7 | 75.7° | 180.0° |
| H6 | C11 | C12 | H8 | 166.0° | 60.0° |
| H6 | C11 | C10 | H18 | 52.2° | 60.1° |
| H6 | C11 | C10 | H19 | 170.8° | 180.0° |
| H7 | C12 | C13 | H20 | 171.6° | 180.0° |
| H7 | C12 | C13 | H21 | 53.0° | 60.0° |
| H8 | C12 | C13 | H20 | 70.1° | 60.0° |
| H8 | C12 | C13 | H21 | 171.4° | 180.0° |
| H9 | C14 | C13 | H20 | 51.2° | 60.0° |
| H9 | C14 | C13 | H21 | 169.8° | 180.0° |
| H10 | C14 | C13 | H20 | 67.8° | 180.0° |
| H10 | C14 | C13 | H21 | 50.8° | 59.9° |
| H11 | C16 | C17 | H12 | 168.2° | 64.9° |
| H11 | C16 | C17 | H13 | 73.3° | 175.1° |
| H11 | C16 | N6 | H26 | 155.9° | 145.0° |
| H12 | C17 | C18 | O2 | 5.7° | 60.0° |
| H13 | C17 | C18 | O2 | 124.2° | 60.0° |
| H15 | C7 | O15 | H23 | 56.8° | 57.3° |
| H18 | C10 | N5 | H22 | 19.5° | 120.1° |
| H19 | C10 | N5 | H22 | 138.1° | 120.0° |
