PRD_000616
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.57Å | |
| C1 | C6 | sing | 1.53Å | 1.57Å | |
| C1 | C8 | sing | 1.53Å | 1.57Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | C3 | sing | 1.53Å | 1.57Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.57Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.56Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.53Å | 1.57Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| N1 | C7 | sing | 1.47Å | 1.49Å | |
| N1 | H12 | sing | 1.01Å | 1.00Å | |
| N1 | H13 | sing | 1.01Å | 1.00Å | |
| C7 | C8 | sing | 1.53Å | 1.56Å | |
| C7 | C9 | sing | 1.51Å | 1.53Å | |
| C7 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| C8 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | O1 | doub | 1.21Å | 1.26Å | |
| N2 | C10 | sing | 1.47Å | 1.47Å | |
| N2 | C14 | sing | 1.47Å | 1.45Å | |
| C10 | C11 | sing | 1.51Å | 1.54Å | |
| C10 | C12 | sing | 1.54Å | 1.54Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | O2 | doub | 1.21Å | 1.23Å | |
| C12 | C13 | sing | 1.55Å | 1.54Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.55Å | 1.55Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| N3 | C15 | sing | 1.46Å | 1.50Å | |
| N3 | C21 | sing | 1.46Å | 1.48Å | |
| C15 | C16 | sing | 1.51Å | 1.54Å | |
| C15 | C17 | sing | 1.53Å | 1.57Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | O3 | doub | 1.21Å | 1.24Å | |
| C17 | C18 | sing | 1.53Å | 1.55Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C17 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | C19 | sing | 1.53Å | 1.55Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C18 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | N4 | sing | 1.46Å | 1.48Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| C19 | H30 | sing | 1.09Å | 1.10Å | |
| N4 | C20 | sing | 1.38Å | 1.32Å | |
| C20 | N5 | sing | 1.37Å | 1.32Å | |
| C20 | N6 | doub | 1.30Å | 1.34Å | |
| N5 | H31 | sing | 0.97Å | 1.00Å | |
| N5 | H32 | sing | 0.97Å | 1.00Å | |
| N6 | H33 | sing | 0.97Å | 1.00Å | |
| C21 | H34 | sing | 1.09Å | 1.10Å | |
| C21 | H35 | sing | 1.09Å | 1.10Å | |
| C21 | H36 | sing | 1.09Å | 1.10Å | |
| C16 | O4 | sing | 1.34Å | 25.36Å | |
| O4 | H37 | sing | 0.97Å | 0.00Å | |
| N4 | H38 | sing | 0.97Å | 1.00Å | |
| C9 | N2 | sing | 1.35Å | 1.39Å | |
| C11 | N3 | sing | 1.35Å | 1.38Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 110.1° | 109.5° |
| C2 | C1 | C8 | 110.2° | 109.5° |
| C2 | C1 | H1 | 108.8° | 109.5° |
| C1 | C2 | C3 | 111.1° | 109.5° |
| C1 | C2 | H2 | 109.0° | 109.5° |
| C1 | C2 | H3 | 109.1° | 109.5° |
| C6 | C1 | C8 | 110.1° | 109.5° |
| C6 | C1 | H1 | 108.8° | 109.4° |
| C1 | C6 | C5 | 116.1° | 109.5° |
| C1 | C6 | H10 | 107.8° | 109.5° |
| C1 | C6 | H11 | 107.8° | 109.5° |
| C8 | C1 | H1 | 108.8° | 109.5° |
| C1 | C8 | C7 | 113.0° | 109.5° |
| C1 | C8 | H15 | 108.6° | 109.5° |
| C1 | C8 | H16 | 108.6° | 109.5° |
| C3 | C2 | H2 | 109.1° | 109.4° |
| C3 | C2 | H3 | 109.1° | 109.4° |
| C2 | C3 | C4 | 114.6° | 109.5° |
| C2 | C3 | H4 | 108.2° | 109.5° |
| C2 | C3 | H5 | 108.2° | 109.5° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| C4 | C3 | H4 | 108.2° | 109.5° |
| C4 | C3 | H5 | 108.2° | 109.4° |
| C3 | C4 | C5 | 113.5° | 109.5° |
| C3 | C4 | H6 | 108.5° | 109.5° |
| C3 | C4 | H7 | 108.5° | 109.5° |
| H4 | C3 | H5 | 109.4° | 109.5° |
| C5 | C4 | H6 | 108.4° | 109.5° |
| C5 | C4 | H7 | 108.4° | 109.5° |
| C4 | C5 | C6 | 113.2° | 109.5° |
| C4 | C5 | H8 | 108.5° | 109.5° |
| C4 | C5 | H9 | 108.5° | 109.5° |
| H6 | C4 | H7 | 109.5° | 109.4° |
| C6 | C5 | H8 | 108.5° | 109.5° |
| C6 | C5 | H9 | 108.5° | 109.5° |
| C5 | C6 | H10 | 107.8° | 109.4° |
| C5 | C6 | H11 | 107.8° | 109.4° |
| H8 | C5 | H9 | 109.5° | 109.5° |
| H10 | C6 | H11 | 109.5° | 109.5° |
| C7 | N1 | H12 | 109.5° | 111.0° |
| C7 | N1 | H13 | 109.5° | 111.0° |
| N1 | C7 | C8 | 111.1° | 109.4° |
| N1 | C7 | C9 | 106.6° | 109.5° |
| N1 | C7 | H14 | 109.7° | 109.4° |
| H12 | N1 | H13 | 109.4° | 110.9° |
| C8 | C7 | C9 | 111.5° | 109.5° |
| C8 | C7 | H14 | 108.7° | 109.5° |
| C7 | C8 | H15 | 108.6° | 109.5° |
| C7 | C8 | H16 | 108.6° | 109.4° |
| C9 | C7 | H14 | 109.1° | 109.5° |
| C7 | C9 | O1 | 114.7° | 120.0° |
| C7 | C9 | N2 | 124.6° | 120.0° |
| H15 | C8 | H16 | 109.5° | 109.5° |
| O1 | C9 | N2 | 120.6° | 120.0° |
| C10 | N2 | C14 | 115.6° | 108.7° |
| N2 | C10 | C11 | 108.6° | 109.9° |
| N2 | C10 | C12 | 103.2° | 107.3° |
| N2 | C10 | H17 | 112.0° | 109.9° |
| C10 | N2 | C9 | 119.9° | 125.7° |
| N2 | C14 | C13 | 100.4° | 104.7° |
| N2 | C14 | H22 | 111.7° | 110.3° |
| N2 | C14 | H23 | 111.7° | 110.4° |
| C14 | N2 | C9 | 124.5° | 125.6° |
| C11 | C10 | C12 | 111.0° | 109.9° |
| C11 | C10 | H17 | 110.9° | 109.9° |
| C10 | C11 | O2 | 114.0° | 120.0° |
| C10 | C11 | N3 | 124.3° | 120.0° |
| C12 | C10 | H17 | 110.9° | 110.0° |
| C10 | C12 | C13 | 104.2° | 102.9° |
| C10 | C12 | H18 | 110.8° | 110.8° |
| C10 | C12 | H19 | 110.8° | 110.7° |
| O2 | C11 | N3 | 121.7° | 120.0° |
| C13 | C12 | H18 | 110.8° | 110.7° |
| C13 | C12 | H19 | 110.8° | 110.7° |
| C12 | C13 | C14 | 105.2° | 101.5° |
| C12 | C13 | H20 | 110.5° | 111.0° |
| C12 | C13 | H21 | 110.5° | 111.0° |
| H18 | C12 | H19 | 109.5° | 110.8° |
| C14 | C13 | H20 | 110.6° | 111.2° |
| C14 | C13 | H21 | 110.6° | 110.9° |
| C13 | C14 | H22 | 111.7° | 110.5° |
| C13 | C14 | H23 | 111.7° | 110.4° |
| H20 | C13 | H21 | 109.5° | 110.9° |
| H22 | C14 | H23 | 109.5° | 110.4° |
| C15 | N3 | C21 | 122.0° | 120.0° |
| N3 | C15 | C16 | 109.2° | 109.4° |
| N3 | C15 | C17 | 111.1° | 109.5° |
| N3 | C15 | H24 | 108.4° | 109.5° |
| C15 | N3 | C11 | 118.5° | 120.0° |
| N3 | C21 | H34 | 109.5° | 109.4° |
| N3 | C21 | H35 | 109.5° | 109.5° |
| N3 | C21 | H36 | 109.5° | 109.5° |
| C21 | N3 | C11 | 119.4° | 120.0° |
| C16 | C15 | C17 | 112.6° | 109.5° |
| C16 | C15 | H24 | 107.9° | 109.5° |
| C15 | C16 | O3 | 120.9° | 120.0° |
| C15 | C16 | O4 | 68.7° | 120.0° |
| C17 | C15 | H24 | 107.5° | 109.5° |
| C15 | C17 | C18 | 111.1° | 109.5° |
| C15 | C17 | H25 | 109.1° | 109.5° |
| C15 | C17 | H26 | 109.1° | 109.5° |
| O3 | C16 | O4 | 94.8° | 120.0° |
| C18 | C17 | H25 | 109.1° | 109.5° |
| C18 | C17 | H26 | 109.1° | 109.5° |
| C17 | C18 | C19 | 112.1° | 109.5° |
| C17 | C18 | H27 | 108.8° | 109.4° |
| C17 | C18 | H28 | 108.8° | 109.5° |
| H25 | C17 | H26 | 109.5° | 109.5° |
| C19 | C18 | H27 | 108.8° | 109.5° |
| C19 | C18 | H28 | 108.8° | 109.5° |
| C18 | C19 | N4 | 112.3° | 109.4° |
| C18 | C19 | H29 | 108.8° | 109.5° |
| C18 | C19 | H30 | 108.8° | 109.5° |
| H27 | C18 | H28 | 109.5° | 109.5° |
| N4 | C19 | H29 | 108.8° | 109.5° |
| N4 | C19 | H30 | 108.8° | 109.5° |
| C19 | N4 | C20 | 122.4° | 120.0° |
| C19 | N4 | H38 | 118.8° | 120.0° |
| H29 | C19 | H30 | 109.4° | 109.5° |
| N4 | C20 | N5 | 122.9° | 119.9° |
| N4 | C20 | N6 | 118.9° | 120.0° |
| C20 | N4 | H38 | 118.8° | 120.0° |
| N5 | C20 | N6 | 118.1° | 120.0° |
| C20 | N5 | H31 | 120.0° | 120.1° |
| C20 | N5 | H32 | 120.0° | 119.9° |
| C20 | N6 | H33 | 112.0° | 120.0° |
| H31 | N5 | H32 | 120.0° | 120.0° |
| H34 | C21 | H35 | 109.5° | 109.5° |
| H34 | C21 | H36 | 109.4° | 109.4° |
| H35 | C21 | H36 | 109.5° | 109.5° |
| C16 | O4 | H37 | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | C8 | 121.7° | 120.0° |
| C2 | C1 | C6 | H1 | 119.1° | 120.0° |
| C2 | C1 | C8 | H1 | 119.3° | 120.0° |
| C1 | C2 | C3 | H2 | 120.2° | 120.0° |
| C1 | C2 | C3 | H3 | 120.2° | 120.0° |
| C1 | C2 | H2 | H3 | 119.2° | 120.1° |
| C1 | C2 | C3 | C4 | 42.1° | 60.0° |
| C1 | C2 | C3 | H4 | 162.9° | 180.0° |
| C1 | C2 | C3 | H5 | 78.7° | 60.0° |
| C2 | C1 | C6 | C5 | 24.1° | 60.0° |
| C2 | C1 | C6 | H10 | 145.1° | 180.0° |
| C2 | C1 | C6 | H11 | 96.9° | 60.0° |
| C2 | C1 | C8 | C7 | 73.3° | 175.0° |
| C2 | C1 | C8 | H15 | 47.2° | 55.0° |
| C2 | C1 | C8 | H16 | 166.2° | 65.0° |
| C6 | C1 | C8 | H1 | 119.1° | 120.0° |
| C6 | C1 | C2 | C3 | 61.2° | 60.0° |
| C6 | C1 | C2 | H2 | 59.0° | 59.9° |
| C6 | C1 | C2 | H3 | 178.5° | 180.0° |
| C1 | C6 | C5 | C4 | 30.6° | 60.0° |
| C1 | C6 | C5 | H10 | 121.0° | 120.0° |
| C1 | C6 | C5 | H11 | 121.0° | 120.0° |
| C1 | C6 | C5 | H8 | 90.0° | 180.0° |
| C1 | C6 | C5 | H9 | 151.1° | 60.0° |
| C1 | C6 | H10 | H11 | 116.9° | 120.1° |
| C6 | C1 | C8 | C7 | 165.1° | 65.0° |
| C6 | C1 | C8 | H15 | 74.4° | 175.0° |
| C6 | C1 | C8 | H16 | 44.6° | 55.0° |
| C8 | C1 | C2 | C3 | 177.1° | NaN° |
| C8 | C1 | C2 | H2 | 62.6° | 60.0° |
| C8 | C1 | C2 | H3 | 56.9° | 60.0° |
| C8 | C1 | C6 | C5 | 145.8° | 180.0° |
| C8 | C1 | C6 | H10 | 93.2° | 60.0° |
| C8 | C1 | C6 | H11 | 24.8° | 60.0° |
| C1 | C8 | C7 | N1 | 178.3° | 65.0° |
| C1 | C8 | C7 | H15 | 120.5° | 120.0° |
| C1 | C8 | C7 | H16 | 120.5° | 120.0° |
| C1 | C8 | C7 | C9 | 62.9° | 175.0° |
| C1 | C8 | C7 | H14 | 57.4° | 54.9° |
| C1 | C8 | H15 | H16 | 118.4° | 120.0° |
| H1 | C1 | C2 | C3 | 57.9° | 60.0° |
| H1 | C1 | C2 | H2 | 178.1° | 179.9° |
| H1 | C1 | C2 | H3 | 62.4° | 60.0° |
| H1 | C1 | C6 | C5 | 95.0° | 60.0° |
| H1 | C1 | C6 | H10 | 25.9° | 60.0° |
| H1 | C1 | C6 | H11 | 144.0° | 180.0° |
| H1 | C1 | C8 | C7 | 46.0° | 55.0° |
| H1 | C1 | C8 | H15 | 166.5° | 65.0° |
| H1 | C1 | C8 | H16 | 74.5° | 174.9° |
| C3 | C2 | H2 | H3 | 119.3° | 120.0° |
| C2 | C3 | C4 | H4 | 120.8° | 120.0° |
| C2 | C3 | C4 | H5 | 120.8° | 120.0° |
| C2 | C3 | H4 | H5 | 117.6° | 120.0° |
| C2 | C3 | C4 | C5 | 13.4° | 60.0° |
| C2 | C3 | C4 | H6 | 134.0° | 60.0° |
| C2 | C3 | C4 | H7 | 107.2° | 180.0° |
| H2 | C2 | C3 | C4 | 78.1° | 60.0° |
| H2 | C2 | C3 | H4 | 42.7° | 60.0° |
| H2 | C2 | C3 | H5 | 161.1° | 180.0° |
| H3 | C2 | C3 | C4 | 162.4° | 180.0° |
| H3 | C2 | C3 | H4 | 76.9° | 60.0° |
| H3 | C2 | C3 | H5 | 41.6° | 60.1° |
| C4 | C3 | H4 | H5 | 117.7° | 120.0° |
| C3 | C4 | C5 | H6 | 120.6° | 120.1° |
| C3 | C4 | C5 | H7 | 120.6° | 120.0° |
| C3 | C4 | H6 | H7 | 118.2° | 119.9° |
| C3 | C4 | C5 | C6 | 50.3° | 60.0° |
| C3 | C4 | C5 | H8 | 70.2° | 180.0° |
| C3 | C4 | C5 | H9 | 170.8° | 60.0° |
| H4 | C3 | C4 | C5 | 107.4° | 180.0° |
| H4 | C3 | C4 | H6 | 13.2° | 60.0° |
| H4 | C3 | C4 | H7 | 132.0° | 59.9° |
| H5 | C3 | C4 | C5 | 134.1° | 60.0° |
| H5 | C3 | C4 | H6 | 105.3° | 180.0° |
| H5 | C3 | C4 | H7 | 13.6° | 60.1° |
| C5 | C4 | H6 | H7 | 118.2° | 120.0° |
| C4 | C5 | C6 | H8 | 120.5° | 120.0° |
| C4 | C5 | C6 | H9 | 120.6° | 120.0° |
| C4 | C5 | H8 | H9 | 118.3° | 120.0° |
| C4 | C5 | C6 | H10 | 90.4° | 180.0° |
| C4 | C5 | C6 | H11 | 151.5° | 60.0° |
| H6 | C4 | C5 | C6 | 170.9° | 60.0° |
| H6 | C4 | C5 | H8 | 50.4° | 60.0° |
| H6 | C4 | C5 | H9 | 68.6° | 180.0° |
| H7 | C4 | C5 | C6 | 70.3° | 180.0° |
| H7 | C4 | C5 | H8 | 169.2° | 60.0° |
| H7 | C4 | C5 | H9 | 50.3° | 60.0° |
| C6 | C5 | H8 | H9 | 118.3° | 120.0° |
| C5 | C6 | H10 | H11 | 117.0° | 119.9° |
| H8 | C5 | C6 | H10 | 149.1° | 60.0° |
| H8 | C5 | C6 | H11 | 31.0° | 60.0° |
| H9 | C5 | C6 | H10 | 30.1° | 60.0° |
| H9 | C5 | C6 | H11 | 87.9° | 180.0° |
| C7 | N1 | H12 | H13 | 120.0° | 123.9° |
| N1 | C7 | C8 | C9 | 118.8° | 120.0° |
| N1 | C7 | C8 | H14 | 120.8° | 120.0° |
| N1 | C7 | C9 | H14 | 118.4° | 119.9° |
| N1 | C7 | C8 | H15 | 57.8° | 55.0° |
| N1 | C7 | C8 | H16 | 61.2° | 175.0° |
| N1 | C7 | C9 | O1 | 48.9° | 20.0° |
| N1 | C7 | C9 | N2 | 130.3° | 160.0° |
| H12 | N1 | C7 | C8 | 180.0° | 60.0° |
| H12 | N1 | C7 | C9 | 58.3° | 60.0° |
| H12 | N1 | C7 | H14 | 59.7° | 180.0° |
| H13 | N1 | C7 | C8 | 60.0° | 176.1° |
| H13 | N1 | C7 | C9 | 178.3° | 63.9° |
| H13 | N1 | C7 | H14 | 60.3° | 56.1° |
| C8 | C7 | C9 | H14 | 120.1° | 120.1° |
| C7 | C8 | H15 | H16 | 118.4° | 120.0° |
| C8 | C7 | C9 | O1 | 72.6° | 99.9° |
| C8 | C7 | C9 | N2 | 108.3° | 80.0° |
| C9 | C7 | C8 | H15 | 176.6° | 65.0° |
| C9 | C7 | C8 | H16 | 57.6° | 55.0° |
| C7 | C9 | O1 | N2 | 179.2° | 179.9° |
| C7 | C9 | N2 | C10 | 177.9° | 180.0° |
| C7 | C9 | N2 | C14 | 1.0° | 0.2° |
| H14 | C7 | C8 | H15 | 63.1° | 174.9° |
| H14 | C7 | C8 | H16 | 178.0° | 65.0° |
| H14 | C7 | C9 | O1 | 167.3° | 140.0° |
| H14 | C7 | C9 | N2 | 11.8° | 40.1° |
| O1 | C9 | N2 | C10 | 1.2° | 0.1° |
| O1 | C9 | N2 | C14 | 179.9° | 179.7° |
| C10 | N2 | C14 | C9 | 178.9° | 179.8° |
| N2 | C10 | C11 | C12 | 112.9° | 117.8° |
| N2 | C10 | C11 | H17 | 123.4° | 121.0° |
| N2 | C10 | C12 | H17 | 120.1° | 119.5° |
| N2 | C10 | C11 | O2 | 37.3° | 0.0° |
| N2 | C10 | C12 | C13 | 19.4° | 22.2° |
| N2 | C10 | C12 | H18 | 99.7° | 140.5° |
| N2 | C10 | C12 | H19 | 138.5° | 96.1° |
| C10 | N2 | C14 | C13 | 21.1° | 24.4° |
| C10 | N2 | C14 | H22 | 139.6° | 94.5° |
| C10 | N2 | C14 | H23 | 97.5° | 143.2° |
| N2 | C10 | C11 | N3 | 142.1° | 180.0° |
| C14 | N2 | C10 | C11 | 116.5° | 120.7° |
| C14 | N2 | C10 | C12 | 1.4° | 1.3° |
| C14 | N2 | C10 | H17 | 120.7° | 118.3° |
| N2 | C14 | C13 | C12 | 32.1° | 37.2° |
| N2 | C14 | C13 | H22 | 118.5° | 118.8° |
| N2 | C14 | C13 | H23 | 118.5° | 118.8° |
| N2 | C14 | C13 | H20 | 151.4° | 80.9° |
| N2 | C14 | C13 | H21 | 87.3° | 155.3° |
| N2 | C14 | H22 | H23 | 124.2° | 122.2° |
| C11 | C10 | C12 | H17 | 123.7° | 121.1° |
| C10 | C11 | O2 | N3 | 179.5° | 179.9° |
| C11 | C10 | C12 | C13 | 135.6° | 97.2° |
| C11 | C10 | C12 | H18 | 16.5° | 21.1° |
| C11 | C10 | C12 | H19 | 105.2° | 144.5° |
| C10 | C11 | N3 | C15 | 179.7° | 180.0° |
| C10 | C11 | N3 | C21 | 0.1° | 0.0° |
| C11 | C10 | N2 | C9 | 62.5° | 59.5° |
| C12 | C10 | C11 | O2 | 75.5° | 117.8° |
| C10 | C12 | C13 | H18 | 119.2° | 118.4° |
| C10 | C12 | C13 | H19 | 119.1° | 118.3° |
| C10 | C12 | H18 | H19 | 122.5° | 123.3° |
| C10 | C12 | C13 | C14 | 32.6° | 35.6° |
| C10 | C12 | C13 | H20 | 151.9° | 82.6° |
| C10 | C12 | C13 | H21 | 86.8° | 153.6° |
| C12 | C10 | N2 | C9 | 179.6° | 178.9° |
| C12 | C10 | C11 | N3 | 105.0° | 62.2° |
| H17 | C10 | C11 | O2 | 160.8° | 121.1° |
| H17 | C10 | C12 | C13 | 100.7° | 141.7° |
| H17 | C10 | C12 | H18 | 140.2° | 100.0° |
| H17 | C10 | C12 | H19 | 18.4° | 23.4° |
| H17 | C10 | N2 | C9 | 60.3° | 61.5° |
| H17 | C10 | C11 | N3 | 18.7° | 59.0° |
| O2 | C11 | N3 | C15 | 0.9° | 0.1° |
| O2 | C11 | N3 | C21 | 179.5° | 180.0° |
| C13 | C12 | H18 | H19 | 122.4° | 123.2° |
| C12 | C13 | C14 | H20 | 119.3° | 118.1° |
| C12 | C13 | C14 | H21 | 119.3° | 118.0° |
| C12 | C13 | H20 | H21 | 122.0° | 123.9° |
| C12 | C13 | C14 | H22 | 150.6° | 81.5° |
| C12 | C13 | C14 | H23 | 86.5° | 156.0° |
| H18 | C12 | C13 | C14 | 86.6° | 154.0° |
| H18 | C12 | C13 | H20 | 32.8° | 35.8° |
| H18 | C12 | C13 | H21 | 154.1° | 88.0° |
| H19 | C12 | C13 | C14 | 151.7° | 82.7° |
| H19 | C12 | C13 | H20 | 88.9° | 159.0° |
| H19 | C12 | C13 | H21 | 32.4° | 35.2° |
| C14 | C13 | H20 | H21 | 122.0° | 123.9° |
| C13 | C14 | H22 | H23 | 124.2° | 122.4° |
| C13 | C14 | N2 | C9 | 160.0° | 155.8° |
| H20 | C13 | C14 | H22 | 90.1° | 160.3° |
| H20 | C13 | C14 | H23 | 32.8° | 37.9° |
| H21 | C13 | C14 | H22 | 31.3° | 36.5° |
| H21 | C13 | C14 | H23 | 154.2° | 85.9° |
| H22 | C14 | N2 | C9 | 41.5° | 85.3° |
| H23 | C14 | N2 | C9 | 81.5° | 37.0° |
| C15 | N3 | C21 | C11 | 179.6° | 180.0° |
| N3 | C15 | C16 | C17 | 123.9° | 120.0° |
| N3 | C15 | C16 | H24 | 117.6° | 120.0° |
| N3 | C15 | C17 | H24 | 118.4° | 120.0° |
| N3 | C15 | C16 | O3 | 111.6° | 0.0° |
| N3 | C15 | C17 | C18 | 58.1° | 65.0° |
| N3 | C15 | C17 | H25 | 62.2° | 55.0° |
| N3 | C15 | C17 | H26 | 178.3° | 175.0° |
| C15 | N3 | C21 | H34 | 180.0° | 90.0° |
| C15 | N3 | C21 | H35 | 60.0° | 30.0° |
| C15 | N3 | C21 | H36 | 60.0° | 150.0° |
| N3 | C15 | C16 | O4 | 28.9° | 180.0° |
| C21 | N3 | C15 | C16 | 55.7° | 60.0° |
| C21 | N3 | C15 | C17 | 69.0° | 60.0° |
| C21 | N3 | C15 | H24 | 173.1° | 180.0° |
| N3 | C21 | H34 | H35 | 120.0° | 120.0° |
| N3 | C21 | H34 | H36 | 120.0° | 120.0° |
| N3 | C21 | H35 | H36 | 120.0° | 120.0° |
| C16 | C15 | C17 | H24 | 118.8° | 120.0° |
| C15 | C16 | O3 | O4 | 68.0° | 180.0° |
| C16 | C15 | C17 | C18 | 179.1° | 175.0° |
| C16 | C15 | C17 | H25 | 60.6° | 65.0° |
| C16 | C15 | C17 | H26 | 58.9° | 55.0° |
| C15 | C16 | O4 | H37 | 90.0° | 180.0° |
| C16 | C15 | N3 | C11 | 123.8° | 120.0° |
| C17 | C15 | C16 | O3 | 12.3° | 120.0° |
| C15 | C17 | C18 | H25 | 120.2° | 120.0° |
| C15 | C17 | C18 | H26 | 120.2° | 120.0° |
| C15 | C17 | H25 | H26 | 119.3° | 120.0° |
| C15 | C17 | C18 | C19 | 177.8° | 180.0° |
| C15 | C17 | C18 | H27 | 57.4° | 60.0° |
| C15 | C17 | C18 | H28 | 61.8° | 60.0° |
| C17 | C15 | C16 | O4 | 95.0° | 60.0° |
| C17 | C15 | N3 | C11 | 111.4° | 120.0° |
| H24 | C15 | C16 | O3 | 130.8° | 120.0° |
| H24 | C15 | C17 | C18 | 60.4° | 55.0° |
| H24 | C15 | C17 | H25 | 179.4° | 175.0° |
| H24 | C15 | C17 | H26 | 59.9° | 65.0° |
| H24 | C15 | C16 | O4 | 146.5° | 60.0° |
| H24 | C15 | N3 | C11 | 6.5° | 0.0° |
| O3 | C16 | O4 | H37 | 90.0° | 0.1° |
| C18 | C17 | H25 | H26 | 119.3° | 120.0° |
| C17 | C18 | C19 | H27 | 120.4° | 120.0° |
| C17 | C18 | C19 | H28 | 120.4° | 120.0° |
| C17 | C18 | H27 | H28 | 118.8° | 120.0° |
| C17 | C18 | C19 | N4 | 59.1° | 180.0° |
| C17 | C18 | C19 | H29 | 61.3° | 60.0° |
| C17 | C18 | C19 | H30 | 179.5° | 60.0° |
| H25 | C17 | C18 | C19 | 62.0° | 60.0° |
| H25 | C17 | C18 | H27 | 177.6° | 180.0° |
| H25 | C17 | C18 | H28 | 58.4° | 60.0° |
| H26 | C17 | C18 | C19 | 57.6° | 60.0° |
| H26 | C17 | C18 | H27 | 62.9° | 60.0° |
| H26 | C17 | C18 | H28 | 177.9° | NaN° |
| C19 | C18 | H27 | H28 | 118.8° | 120.0° |
| C18 | C19 | N4 | H29 | 120.4° | 120.0° |
| C18 | C19 | N4 | H30 | 120.5° | 120.0° |
| C18 | C19 | H29 | H30 | 118.7° | 120.0° |
| C18 | C19 | N4 | C20 | 173.6° | 180.0° |
| C18 | C19 | N4 | H38 | 6.4° | 0.0° |
| H27 | C18 | C19 | N4 | 179.5° | 60.0° |
| H27 | C18 | C19 | H29 | 59.1° | 180.0° |
| H27 | C18 | C19 | H30 | 60.0° | 60.0° |
| H28 | C18 | C19 | N4 | 61.3° | 60.0° |
| H28 | C18 | C19 | H29 | 178.3° | 60.0° |
| H28 | C18 | C19 | H30 | 59.1° | 180.0° |
| N4 | C19 | H29 | H30 | 118.7° | 120.0° |
| C19 | N4 | C20 | H38 | 180.0° | 180.0° |
| C19 | N4 | C20 | N5 | 0.1° | 180.0° |
| C19 | N4 | C20 | N6 | 179.5° | 0.0° |
| H29 | C19 | N4 | C20 | 53.2° | 60.0° |
| H29 | C19 | N4 | H38 | 126.8° | 120.0° |
| H30 | C19 | N4 | C20 | 65.9° | 60.0° |
| H30 | C19 | N4 | H38 | 114.1° | 120.0° |
| N4 | C20 | N5 | N6 | 179.4° | 180.0° |
| N4 | C20 | N5 | H31 | 179.4° | 0.0° |
| N4 | C20 | N5 | H32 | 0.6° | 180.0° |
| N4 | C20 | N6 | H33 | 179.5° | 180.0° |
| C20 | N5 | H31 | H32 | 180.0° | 180.0° |
| N5 | C20 | N6 | H33 | 0.0° | 0.0° |
| N5 | C20 | N4 | H38 | 179.9° | 0.0° |
| N6 | C20 | N5 | H31 | 0.0° | 180.0° |
| N6 | C20 | N5 | H32 | 180.0° | 0.0° |
| N6 | C20 | N4 | H38 | 0.5° | 180.0° |
| H34 | C21 | H35 | H36 | 120.0° | 120.0° |
| H34 | C21 | N3 | C11 | 0.4° | 90.0° |
| H35 | C21 | N3 | C11 | 119.6° | 150.0° |
| H36 | C21 | N3 | C11 | 120.4° | 30.0° |
