A1AD0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.41Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
| C25 | C20 | doub | 1.38Å | 1.42Å | Aromatic |
| C22 | C21 | doub | 1.38Å | 1.41Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.42Å | Aromatic |
| C20 | C17 | sing | 1.51Å | 1.52Å | |
| C19 | C17 | sing | 1.53Å | 1.53Å | |
| C19 | C18 | sing | 1.53Å | 1.50Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C17 | C16 | sing | 1.51Å | 1.51Å | |
| C5 | C4 | sing | 1.54Å | 1.53Å | |
| C5 | N1 | sing | 1.48Å | 1.47Å | |
| C4 | C2 | sing | 1.53Å | 1.52Å | |
| C4 | C7 | sing | 1.54Å | 1.50Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C16 | N1 | sing | 1.35Å | 1.35Å | |
| C16 | O4 | doub | 1.21Å | 1.23Å | |
| N1 | C6 | sing | 1.48Å | 1.48Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | C7 | sing | 1.53Å | 1.52Å | |
| C7 | C6 | sing | 1.54Å | 1.53Å | |
| C6 | C8 | sing | 1.51Å | 1.54Å | |
| O3 | C8 | doub | 1.21Å | 1.23Å | |
| C8 | N2 | sing | 1.35Å | 1.34Å | |
| C13 | C12 | sing | 1.54Å | 1.57Å | |
| C13 | N3 | sing | 1.47Å | 1.43Å | |
| C12 | C11 | sing | 1.55Å | 1.57Å | |
| N2 | C9 | sing | 1.47Å | 1.47Å | |
| C11 | C14 | sing | 1.51Å | 1.51Å | |
| C11 | C10 | sing | 1.53Å | 1.54Å | |
| N3 | C14 | sing | 1.35Å | 1.30Å | |
| C14 | O1 | doub | 1.21Å | 1.22Å | |
| C9 | C10 | sing | 1.53Å | 1.55Å | |
| C9 | C15 | sing | 1.53Å | 1.54Å | |
| C15 | O2 | sing | 1.43Å | 1.41Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| C4 | HC4 | sing | 1.09Å | 1.10Å | |
| C5 | H5_1 | sing | 1.09Å | 1.10Å | |
| C5 | H5_2 | sing | 1.09Å | 1.10Å | |
| C6 | HC6 | sing | 1.09Å | 1.10Å | |
| C7 | HC7 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C15 | HC15 | sing | 1.09Å | 1.10Å | |
| C15 | H1 | sing | 1.09Å | 1.10Å | |
| C21 | HC21 | sing | 1.08Å | 1.08Å | |
| C22 | HC22 | sing | 1.08Å | 1.08Å | |
| C24 | HC24 | sing | 1.08Å | 1.08Å | |
| C1 | H1_2 | sing | 1.09Å | 1.10Å | |
| C1 | H1_1 | sing | 1.09Å | 1.10Å | |
| C1 | H1_3 | sing | 1.09Å | 1.10Å | |
| C3 | H3_3 | sing | 1.09Å | 1.10Å | |
| C3 | H3_2 | sing | 1.09Å | 1.10Å | |
| C3 | H3_1 | sing | 1.09Å | 1.10Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| C9 | HC9 | sing | 1.09Å | 1.10Å | |
| C11 | HC11 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C23 | HC23 | sing | 1.08Å | 1.08Å | |
| C25 | HC25 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C24 | C25 | 120.2° | 120.0° |
| C24 | C23 | C22 | 120.1° | 120.0° |
| C23 | C24 | HC24 | 119.9° | 120.0° |
| C24 | C23 | HC23 | 119.9° | 120.0° |
| C24 | C25 | C20 | 120.4° | 120.0° |
| C25 | C24 | HC24 | 119.9° | 120.0° |
| C24 | C25 | HC25 | 119.8° | 119.9° |
| C23 | C22 | C21 | 120.0° | 120.0° |
| C23 | C22 | HC22 | 120.0° | 120.0° |
| C22 | C23 | HC23 | 120.0° | 120.0° |
| C25 | C20 | C21 | 118.8° | 120.0° |
| C25 | C20 | C17 | 120.6° | 120.0° |
| C20 | C25 | HC25 | 119.8° | 120.0° |
| C22 | C21 | C20 | 120.4° | 120.0° |
| C22 | C21 | HC21 | 119.8° | 120.0° |
| C21 | C22 | HC22 | 120.0° | 120.0° |
| C21 | C20 | C17 | 120.6° | 120.0° |
| C20 | C21 | HC21 | 119.8° | 120.0° |
| C20 | C17 | C19 | 123.1° | 117.5° |
| C20 | C17 | C18 | 114.1° | 117.5° |
| C20 | C17 | C16 | 119.2° | 115.6° |
| C17 | C19 | C18 | 60.5° | 60.0° |
| C19 | C17 | C18 | 58.9° | 60.0° |
| C19 | C17 | C16 | 112.9° | 117.5° |
| C17 | C19 | H191 | 119.9° | 117.5° |
| C17 | C19 | H192 | 119.9° | 117.5° |
| C19 | C18 | C17 | 60.6° | 60.0° |
| C19 | C18 | H182 | 119.9° | 117.5° |
| C19 | C18 | H181 | 119.9° | 117.5° |
| C18 | C19 | H191 | 119.9° | 117.5° |
| C18 | C19 | H192 | 119.9° | 117.5° |
| C18 | C17 | C16 | 113.5° | 117.5° |
| C17 | C18 | H182 | 119.9° | 117.5° |
| C17 | C18 | H181 | 119.9° | 117.5° |
| C17 | C16 | N1 | 115.4° | 120.0° |
| C17 | C16 | O4 | 122.2° | 120.0° |
| C4 | C5 | N1 | 105.4° | 104.6° |
| C5 | C4 | C2 | 122.0° | 118.1° |
| C5 | C4 | C7 | 108.5° | 105.0° |
| C5 | C4 | HC4 | 117.1° | 118.1° |
| C4 | C5 | H5_1 | 110.5° | 110.4° |
| C4 | C5 | H5_2 | 110.5° | 110.4° |
| C5 | N1 | C16 | 126.3° | 127.8° |
| C5 | N1 | C6 | 112.6° | 104.3° |
| N1 | C5 | H5_1 | 110.5° | 110.4° |
| N1 | C5 | H5_2 | 110.5° | 110.4° |
| C2 | C4 | C7 | 60.5° | 59.7° |
| C4 | C2 | C1 | 120.8° | 117.5° |
| C4 | C2 | C3 | 119.4° | 117.4° |
| C4 | C2 | C7 | 59.0° | 60.6° |
| C2 | C4 | HC4 | 117.2° | 119.6° |
| C4 | C7 | C2 | 60.5° | 59.7° |
| C4 | C7 | C6 | 108.0° | 105.0° |
| C7 | C4 | HC4 | 117.6° | 121.8° |
| C4 | C7 | HC7 | 117.3° | 121.8° |
| C1 | C2 | C3 | 110.0° | 115.5° |
| C1 | C2 | C7 | 120.7° | 117.5° |
| C2 | C1 | H1_2 | 109.5° | 109.5° |
| C2 | C1 | H1_1 | 109.4° | 109.5° |
| C2 | C1 | H1_3 | 109.5° | 109.4° |
| N1 | C16 | O4 | 122.4° | 120.0° |
| C16 | N1 | C6 | 121.1° | 127.8° |
| N1 | C6 | C7 | 105.1° | 104.6° |
| N1 | C6 | C8 | 109.0° | 110.4° |
| N1 | C6 | HC6 | 111.0° | 110.4° |
| C3 | C2 | C7 | 118.8° | 117.4° |
| C2 | C3 | H3_3 | 109.5° | 109.5° |
| C2 | C3 | H3_2 | 109.4° | 109.5° |
| C2 | C3 | H3_1 | 109.5° | 109.5° |
| C2 | C7 | C6 | 123.6° | 118.1° |
| C2 | C7 | HC7 | 116.8° | 120.3° |
| C7 | C6 | C8 | 111.1° | 110.4° |
| C7 | C6 | HC6 | 110.3° | 110.5° |
| C6 | C7 | HC7 | 116.5° | 117.6° |
| C6 | C8 | O3 | 119.4° | 120.0° |
| C6 | C8 | N2 | 118.0° | 120.0° |
| C8 | C6 | HC6 | 110.1° | 110.4° |
| O3 | C8 | N2 | 122.6° | 120.0° |
| C8 | N2 | C9 | 122.7° | 120.0° |
| C8 | N2 | HN2 | 118.6° | 120.0° |
| C12 | C13 | N3 | 100.3° | 105.5° |
| C13 | C12 | C11 | 109.5° | 101.7° |
| C12 | C13 | H131 | 111.7° | 110.3° |
| C12 | C13 | H132 | 111.7° | 110.3° |
| C13 | C12 | H122 | 109.5° | 111.0° |
| C13 | C12 | H121 | 109.4° | 111.0° |
| C13 | N3 | C14 | 117.1° | 111.3° |
| C13 | N3 | HN3 | 121.5° | 124.4° |
| N3 | C13 | H131 | 111.7° | 110.2° |
| N3 | C13 | H132 | 111.7° | 110.2° |
| C12 | C11 | C14 | 99.0° | 104.3° |
| C12 | C11 | C10 | 116.3° | 110.5° |
| C12 | C11 | HC11 | 109.0° | 110.6° |
| C11 | C12 | H122 | 109.5° | 111.0° |
| C11 | C12 | H121 | 109.5° | 110.9° |
| N2 | C9 | C10 | 110.7° | 109.5° |
| N2 | C9 | C15 | 108.7° | 109.4° |
| C9 | N2 | HN2 | 118.7° | 120.0° |
| N2 | C9 | HC9 | 108.9° | 109.5° |
| C14 | C11 | C10 | 112.7° | 110.5° |
| C11 | C14 | N3 | 113.7° | 110.1° |
| C11 | C14 | O1 | 122.0° | 124.9° |
| C14 | C11 | HC11 | 109.9° | 110.5° |
| C11 | C10 | C9 | 115.3° | 109.5° |
| C11 | C10 | H102 | 108.0° | 109.4° |
| C11 | C10 | H101 | 108.0° | 109.4° |
| C10 | C11 | HC11 | 109.4° | 110.4° |
| N3 | C14 | O1 | 124.3° | 125.0° |
| C14 | N3 | HN3 | 121.5° | 124.3° |
| C10 | C9 | C15 | 112.6° | 109.4° |
| C9 | C10 | H102 | 108.0° | 109.5° |
| C9 | C10 | H101 | 108.0° | 109.5° |
| C10 | C9 | HC9 | 107.8° | 109.5° |
| C9 | C15 | O2 | 110.5° | 109.5° |
| C9 | C15 | HC15 | 109.2° | 109.4° |
| C9 | C15 | H1 | 109.2° | 109.4° |
| C15 | C9 | HC9 | 108.0° | 109.5° |
| O2 | C15 | HC15 | 109.2° | 109.5° |
| O2 | C15 | H1 | 109.2° | 109.5° |
| C15 | O2 | HO2 | 109.5° | 114.0° |
| H5_1 | C5 | H5_2 | 109.5° | 110.5° |
| H102 | C10 | H101 | 109.4° | 109.5° |
| H131 | C13 | H132 | 109.4° | 110.3° |
| HC15 | C15 | H1 | 109.5° | 109.5° |
| H1_2 | C1 | H1_1 | 109.5° | 109.5° |
| H1_2 | C1 | H1_3 | 109.4° | 109.5° |
| H1_1 | C1 | H1_3 | 109.5° | 109.4° |
| H3_3 | C3 | H3_2 | 109.5° | 109.5° |
| H3_3 | C3 | H3_1 | 109.5° | 109.5° |
| H3_2 | C3 | H3_1 | 109.5° | 109.4° |
| H122 | C12 | H121 | 109.5° | 110.9° |
| H182 | C18 | H181 | 109.4° | 115.6° |
| H191 | C19 | H192 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C24 | C25 | HC24 | 180.0° | 179.7° |
| C24 | C23 | C22 | HC23 | 180.0° | 179.8° |
| C23 | C24 | C25 | C20 | 0.0° | 0.5° |
| C24 | C23 | C22 | C21 | 0.9° | 0.1° |
| C24 | C23 | C22 | HC22 | 179.1° | 180.0° |
| C23 | C24 | C25 | HC25 | 180.0° | 180.0° |
| C25 | C24 | C23 | C22 | 0.8° | 0.2° |
| C24 | C25 | C20 | HC25 | 180.0° | 179.5° |
| C24 | C25 | C20 | C21 | 0.7° | 0.5° |
| C24 | C25 | C20 | C17 | 178.2° | 179.7° |
| C25 | C24 | C23 | HC23 | 179.2° | 180.0° |
| C23 | C22 | C21 | HC22 | 180.0° | 179.9° |
| C23 | C22 | C21 | C20 | 0.1° | 0.1° |
| C23 | C22 | C21 | HC21 | 179.9° | 180.0° |
| C22 | C23 | C24 | HC24 | 179.2° | 180.0° |
| C25 | C20 | C21 | C22 | 0.6° | 0.2° |
| C25 | C20 | C21 | C17 | 178.8° | 179.8° |
| C25 | C20 | C17 | C19 | 1.4° | 64.1° |
| C25 | C20 | C17 | C18 | 66.1° | 4.5° |
| C25 | C20 | C17 | C16 | 155.2° | 150.2° |
| C25 | C20 | C21 | HC21 | 179.4° | 179.7° |
| C20 | C25 | C24 | HC24 | 179.9° | 179.7° |
| C22 | C21 | C20 | HC21 | 180.0° | 179.9° |
| C22 | C21 | C20 | C17 | 178.2° | 180.0° |
| C21 | C22 | C23 | HC23 | 179.2° | 179.7° |
| C21 | C20 | C17 | C19 | 179.8° | 116.1° |
| C21 | C20 | C17 | C18 | 112.7° | 175.3° |
| C21 | C20 | C17 | C16 | 26.0° | 29.6° |
| C20 | C21 | C22 | HC22 | 179.8° | 180.0° |
| C21 | C20 | C25 | HC25 | 179.3° | 180.0° |
| C20 | C17 | C19 | C18 | 100.2° | 107.5° |
| C20 | C17 | C19 | C16 | 155.3° | 145.0° |
| C20 | C17 | C18 | C16 | 141.1° | 145.0° |
| C20 | C17 | C16 | N1 | 76.3° | 87.9° |
| C20 | C17 | C16 | O4 | 104.2° | 92.0° |
| C17 | C20 | C21 | HC21 | 1.8° | 0.1° |
| C20 | C17 | C18 | H182 | 134.9° | 0.0° |
| C20 | C17 | C18 | H181 | 5.7° | 144.9° |
| C20 | C17 | C19 | H191 | 150.2° | 145.1° |
| C20 | C17 | C19 | H192 | 9.4° | 0.0° |
| C17 | C20 | C25 | HC25 | 1.8° | 0.2° |
| C17 | C19 | C18 | H191 | 109.6° | 107.6° |
| C17 | C19 | C18 | H192 | 109.6° | 107.5° |
| C19 | C17 | C18 | C16 | 103.5° | 107.4° |
| C19 | C17 | C16 | N1 | 80.1° | 126.4° |
| C19 | C17 | C16 | O4 | 99.4° | 53.7° |
| C17 | C19 | C18 | H182 | 109.6° | 107.4° |
| C17 | C19 | C18 | H181 | 109.7° | 107.4° |
| C17 | C19 | H191 | H192 | 144.5° | 145.8° |
| C19 | C18 | H182 | H181 | 144.4° | 145.8° |
| C18 | C19 | H191 | H192 | 144.4° | 145.6° |
| C18 | C17 | C16 | N1 | 144.7° | 57.8° |
| C18 | C17 | C16 | O4 | 34.7° | 122.3° |
| C17 | C18 | H182 | H181 | 144.4° | 145.6° |
| C17 | C16 | N1 | C5 | 9.2° | 4.5° |
| C17 | C16 | N1 | O4 | 179.5° | 180.0° |
| C17 | C16 | N1 | C6 | 170.0° | 175.1° |
| C16 | C17 | C18 | H182 | 6.1° | 145.0° |
| C16 | C17 | C18 | H181 | 146.8° | 0.1° |
| C16 | C17 | C19 | H191 | 5.1° | 0.0° |
| C16 | C17 | C19 | H192 | 145.9° | 145.1° |
| C4 | C5 | N1 | H5_1 | 119.3° | 118.8° |
| C4 | C5 | N1 | H5_2 | 119.4° | 118.8° |
| C5 | C4 | C2 | C7 | 94.4° | 91.5° |
| C5 | C4 | C2 | HC4 | 157.6° | 156.7° |
| C5 | C4 | C7 | HC4 | 135.8° | 137.8° |
| C5 | C4 | C2 | C1 | 15.2° | 16.1° |
| C4 | C5 | N1 | C16 | 177.1° | 140.7° |
| C4 | C5 | N1 | C6 | 3.7° | 39.6° |
| C5 | C4 | C2 | C3 | 157.7° | 160.8° |
| C5 | C4 | C7 | C6 | 2.0° | 0.0° |
| C4 | C5 | H5_1 | H5_2 | 121.9° | 122.4° |
| C5 | C4 | C7 | HC7 | 136.2° | 136.9° |
| N1 | C5 | C4 | C2 | 65.4° | 39.4° |
| N1 | C5 | C4 | C7 | 0.9° | 23.9° |
| C5 | N1 | C16 | C6 | 179.2° | 179.6° |
| C5 | N1 | C16 | O4 | 171.3° | 175.5° |
| C5 | N1 | C6 | C7 | 4.9° | 39.6° |
| C5 | N1 | C6 | C8 | 114.3° | 79.2° |
| N1 | C5 | C4 | HC4 | 137.0° | 163.5° |
| N1 | C5 | H5_1 | H5_2 | 121.9° | 122.4° |
| C5 | N1 | C6 | HC6 | 124.2° | 158.5° |
| C2 | C4 | C7 | HC4 | 107.3° | 108.1° |
| C4 | C2 | C1 | C3 | 145.6° | 145.4° |
| C4 | C2 | C1 | C7 | 70.0° | 69.3° |
| C4 | C2 | C3 | C7 | 68.6° | 69.3° |
| C2 | C4 | C7 | C6 | 118.9° | 114.1° |
| C2 | C4 | C5 | H5_1 | 175.3° | 79.3° |
| C2 | C4 | C5 | H5_2 | 54.0° | 158.2° |
| C2 | C4 | C7 | HC7 | 106.9° | 109.0° |
| C4 | C2 | C1 | H1_2 | 180.0° | 111.3° |
| C4 | C2 | C1 | H1_1 | 60.0° | 128.6° |
| C4 | C2 | C1 | H1_3 | 60.0° | 8.7° |
| C4 | C2 | C3 | H3_3 | 180.0° | 8.6° |
| C4 | C2 | C3 | H3_2 | 60.0° | 128.6° |
| C4 | C2 | C3 | H3_1 | 60.0° | 111.4° |
| C4 | C7 | C6 | N1 | 4.1° | 23.9° |
| C4 | C7 | C6 | HC7 | 134.5° | 139.1° |
| C4 | C7 | C6 | C8 | 113.7° | 94.9° |
| C7 | C4 | C5 | H5_1 | 118.5° | 142.7° |
| C7 | C4 | C5 | H5_2 | 120.3° | 94.9° |
| C4 | C7 | C6 | HC6 | 123.9° | 142.7° |
| C1 | C2 | C3 | C7 | 145.2° | 145.3° |
| C1 | C2 | C7 | C6 | 16.8° | 16.2° |
| C1 | C2 | C4 | HC4 | 142.4° | 140.6° |
| C1 | C2 | C7 | HC7 | 142.6° | 140.8° |
| C2 | C1 | H1_2 | H1_1 | 120.0° | 120.1° |
| C2 | C1 | H1_2 | H1_3 | 120.0° | 120.0° |
| C2 | C1 | H1_1 | H1_3 | 120.0° | 119.9° |
| C1 | C2 | C3 | H3_3 | 33.8° | 154.0° |
| C1 | C2 | C3 | H3_2 | 86.2° | 86.0° |
| C1 | C2 | C3 | H3_1 | 153.8° | 34.0° |
| C16 | N1 | C6 | C7 | 175.8° | 140.7° |
| C16 | N1 | C6 | C8 | 64.9° | 100.5° |
| C16 | N1 | C5 | H5_1 | 63.6° | 21.9° |
| C16 | N1 | C5 | H5_2 | 57.7° | 100.5° |
| C16 | N1 | C6 | HC6 | 56.6° | 21.8° |
| O4 | C16 | N1 | C6 | 9.5° | 4.8° |
| N1 | C6 | C7 | C2 | 61.9° | 39.4° |
| N1 | C6 | C7 | C8 | 117.8° | 118.8° |
| N1 | C6 | C7 | HC6 | 119.7° | 118.8° |
| N1 | C6 | C8 | HC6 | 122.0° | 122.4° |
| N1 | C6 | C8 | O3 | 43.1° | 18.5° |
| N1 | C6 | C8 | N2 | 134.2° | 161.4° |
| C6 | N1 | C5 | H5_1 | 115.7° | 158.4° |
| C6 | N1 | C5 | H5_2 | 123.1° | 79.2° |
| N1 | C6 | C7 | HC7 | 138.6° | 163.0° |
| C3 | C2 | C7 | C6 | 158.2° | 160.8° |
| C3 | C2 | C4 | HC4 | 0.1° | 4.1° |
| C3 | C2 | C7 | HC7 | 1.2° | 3.8° |
| C3 | C2 | C1 | H1_2 | 34.3° | 34.1° |
| C3 | C2 | C1 | H1_1 | 154.4° | 86.0° |
| C3 | C2 | C1 | H1_3 | 85.6° | 154.1° |
| C2 | C3 | H3_3 | H3_2 | 120.0° | 120.0° |
| C2 | C3 | H3_3 | H3_1 | 120.0° | 120.0° |
| C2 | C3 | H3_2 | H3_1 | 120.0° | 120.0° |
| C2 | C7 | C6 | HC7 | 159.5° | 157.6° |
| C2 | C7 | C6 | C8 | 179.7° | 158.2° |
| C2 | C7 | C6 | HC6 | 57.8° | 79.4° |
| C7 | C2 | C1 | H1_2 | 110.0° | 179.4° |
| C7 | C2 | C1 | H1_1 | 10.0° | 59.2° |
| C7 | C2 | C1 | H1_3 | 130.0° | 60.7° |
| C7 | C2 | C3 | H3_3 | 111.4° | 60.6° |
| C7 | C2 | C3 | H3_2 | 128.6° | 59.4° |
| C7 | C2 | C3 | H3_1 | 8.6° | 179.3° |
| C7 | C6 | C8 | HC6 | 122.5° | 122.5° |
| C7 | C6 | C8 | O3 | 72.4° | 96.7° |
| C7 | C6 | C8 | N2 | 110.4° | 83.4° |
| C6 | C7 | C4 | HC4 | 133.8° | 137.8° |
| C6 | C8 | O3 | N2 | 177.1° | 180.0° |
| C6 | C8 | N2 | C9 | 173.1° | 180.0° |
| C8 | C6 | C7 | HC7 | 20.8° | 44.1° |
| C6 | C8 | N2 | HN2 | 6.9° | 0.0° |
| O3 | C8 | N2 | C9 | 4.1° | 0.0° |
| O3 | C8 | C6 | HC6 | 165.1° | 140.9° |
| O3 | C8 | N2 | HN2 | 175.9° | 180.0° |
| C8 | N2 | C9 | HN2 | 180.0° | 180.0° |
| C8 | N2 | C9 | C10 | 113.8° | 158.9° |
| C8 | N2 | C9 | C15 | 122.0° | 81.1° |
| N2 | C8 | C6 | HC6 | 12.2° | 39.1° |
| C8 | N2 | C9 | HC9 | 4.6° | 38.9° |
| C12 | C13 | N3 | H131 | 118.5° | 119.0° |
| C12 | C13 | N3 | H132 | 118.5° | 119.0° |
| C13 | C12 | C11 | H122 | 120.0° | 118.1° |
| C13 | C12 | C11 | H121 | 120.0° | 118.1° |
| C13 | C12 | C11 | C14 | 5.5° | 24.8° |
| C13 | C12 | C11 | C10 | 126.4° | 143.5° |
| C12 | C13 | N3 | C14 | 3.6° | 17.1° |
| C12 | C13 | N3 | HN3 | 176.4° | 162.7° |
| C12 | C13 | H131 | H132 | 124.3° | 122.0° |
| C13 | C12 | C11 | HC11 | 109.3° | 94.0° |
| C13 | C12 | H122 | H121 | 120.0° | 123.8° |
| N3 | C13 | C12 | C11 | 5.6° | 25.4° |
| C13 | N3 | C14 | C11 | 0.0° | 0.4° |
| C13 | N3 | C14 | HN3 | 180.0° | 179.8° |
| C13 | N3 | C14 | O1 | 179.9° | 179.9° |
| N3 | C13 | H131 | H132 | 124.3° | 121.9° |
| N3 | C13 | C12 | H122 | 125.6° | 143.6° |
| N3 | C13 | C12 | H121 | 114.4° | 92.6° |
| C12 | C11 | C14 | C10 | 123.6° | 118.7° |
| C12 | C11 | C14 | HC11 | 114.1° | 118.8° |
| C12 | C11 | C10 | HC11 | 124.0° | 122.6° |
| C12 | C11 | C14 | N3 | 3.5° | 16.2° |
| C12 | C11 | C14 | O1 | 176.6° | 163.4° |
| C12 | C11 | C10 | C9 | 63.0° | 71.2° |
| C12 | C11 | C10 | H102 | 57.9° | 168.8° |
| C12 | C11 | C10 | H101 | 176.1° | 48.8° |
| C11 | C12 | C13 | H131 | 124.1° | 93.6° |
| C11 | C12 | C13 | H132 | 113.0° | 144.4° |
| C11 | C12 | H122 | H121 | 120.0° | 123.8° |
| N2 | C9 | C10 | C11 | 59.9° | 63.7° |
| N2 | C9 | C10 | C15 | 121.9° | 120.0° |
| N2 | C9 | C10 | HC9 | 119.1° | 120.1° |
| N2 | C9 | C15 | HC9 | 118.0° | 120.0° |
| N2 | C9 | C15 | O2 | 177.1° | 65.0° |
| N2 | C9 | C10 | H102 | 179.2° | 56.3° |
| N2 | C9 | C10 | H101 | 61.0° | 176.3° |
| N2 | C9 | C15 | HC15 | 62.8° | 55.0° |
| N2 | C9 | C15 | H1 | 56.9° | 175.0° |
| C14 | C11 | C10 | HC11 | 122.6° | 122.5° |
| C11 | C14 | N3 | O1 | 179.9° | 179.7° |
| C14 | C11 | C10 | C9 | 176.4° | 173.9° |
| C11 | C14 | N3 | HN3 | 179.9° | 179.3° |
| C14 | C11 | C10 | H102 | 55.5° | 53.9° |
| C14 | C11 | C10 | H101 | 62.8° | 66.1° |
| C14 | C11 | C12 | H122 | 125.5° | 142.9° |
| C14 | C11 | C12 | H121 | 114.5° | 93.3° |
| C10 | C11 | C14 | N3 | 127.1° | 134.9° |
| C10 | C11 | C14 | O1 | 53.0° | 44.8° |
| C11 | C10 | C9 | H102 | 120.9° | 120.0° |
| C11 | C10 | C9 | H101 | 120.9° | 120.0° |
| C11 | C10 | C9 | C15 | 178.2° | 176.4° |
| C11 | C10 | H102 | H101 | 117.3° | 120.0° |
| C11 | C10 | C9 | HC9 | 59.2° | 56.4° |
| C10 | C11 | C12 | H122 | 113.5° | 98.4° |
| C10 | C11 | C12 | H121 | 6.5° | 25.5° |
| C14 | N3 | C13 | H131 | 122.1° | 102.0° |
| C14 | N3 | C13 | H132 | 115.0° | 136.1° |
| N3 | C14 | C11 | HC11 | 110.6° | 102.6° |
| O1 | C14 | N3 | HN3 | 0.1° | 0.3° |
| O1 | C14 | C11 | HC11 | 69.3° | 77.7° |
| C10 | C9 | C15 | HC9 | 118.9° | 120.0° |
| C10 | C9 | C15 | O2 | 59.9° | 55.0° |
| C9 | C10 | H102 | H101 | 117.3° | 120.1° |
| C10 | C9 | C15 | HC15 | 60.3° | 175.0° |
| C10 | C9 | C15 | H1 | 180.0° | 65.0° |
| C10 | C9 | N2 | HN2 | 66.2° | 21.0° |
| C9 | C10 | C11 | HC11 | 61.1° | 51.4° |
| C9 | C15 | O2 | HC15 | 120.1° | 120.0° |
| C9 | C15 | O2 | H1 | 120.1° | 120.0° |
| C15 | C9 | C10 | H102 | 57.3° | 63.7° |
| C15 | C9 | C10 | H101 | 61.0° | 56.4° |
| C9 | C15 | HC15 | H1 | 119.5° | 119.9° |
| C15 | C9 | N2 | HN2 | 58.0° | 98.9° |
| C9 | C15 | O2 | HO2 | 180.0° | 180.0° |
| O2 | C15 | HC15 | H1 | 119.6° | 120.1° |
| O2 | C15 | C9 | HC9 | 59.1° | 175.0° |
| HN3 | N3 | C13 | H131 | 57.9° | 78.2° |
| HN3 | N3 | C13 | H132 | 65.0° | 43.7° |
| HC4 | C4 | C5 | H5_1 | 17.6° | 77.7° |
| HC4 | C4 | C5 | H5_2 | 103.6° | 44.7° |
| HC4 | C4 | C7 | HC7 | 0.3° | 0.9° |
| HC6 | C6 | C7 | HC7 | 101.6° | 78.2° |
| H102 | C10 | C9 | HC9 | 61.7° | 176.3° |
| H102 | C10 | C11 | HC11 | 178.1° | 68.6° |
| H101 | C10 | C9 | HC9 | 180.0° | 63.6° |
| H101 | C10 | C11 | HC11 | 59.8° | 171.4° |
| H131 | C13 | C12 | H122 | 115.9° | 24.5° |
| H131 | C13 | C12 | H121 | 4.1° | 148.4° |
| H132 | C13 | C12 | H122 | 7.0° | 97.4° |
| H132 | C13 | C12 | H121 | 127.1° | 26.4° |
| HC15 | C15 | C9 | HC9 | 179.2° | 65.0° |
| HC15 | C15 | O2 | HO2 | 59.9° | 60.0° |
| H1 | C15 | C9 | HC9 | 61.1° | 55.0° |
| H1 | C15 | O2 | HO2 | 59.8° | 60.0° |
| HC21 | C21 | C22 | HC22 | 0.2° | 0.1° |
| HC22 | C22 | C23 | HC23 | 0.9° | 0.2° |
| HC24 | C24 | C23 | HC23 | 0.8° | 0.2° |
| HC24 | C24 | C25 | HC25 | 0.1° | 0.3° |
| H1_2 | C1 | H1_1 | H1_3 | 120.0° | 120.0° |
| H3_3 | C3 | H3_2 | H3_1 | 120.0° | 120.0° |
| HN2 | N2 | C9 | HC9 | 175.4° | 141.1° |
| HC11 | C11 | C12 | H122 | 10.7° | 24.2° |
| HC11 | C11 | C12 | H121 | 130.7° | 148.0° |
| H182 | C18 | C19 | H191 | 0.0° | 145.0° |
| H182 | C18 | C19 | H192 | 140.8° | 0.1° |
| H181 | C18 | C19 | H191 | 140.7° | 0.1° |
| H181 | C18 | C19 | H192 | 0.1° | 145.0° |
