PRD_000402
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.26Å | |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.45Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.51Å | 1.55Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | O2 | doub | 1.21Å | 1.22Å | |
| C4 | O3 | sing | 1.34Å | 1.39Å | |
| O3 | C5 | sing | 1.45Å | 1.45Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| N1 | C6 | sing | 1.47Å | 1.47Å | |
| N1 | H8 | sing | 0.97Å | 1.00Å | |
| C6 | C7 | sing | 1.51Å | 1.52Å | |
| C6 | C8 | sing | 1.53Å | 1.51Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | O4 | doub | 1.21Å | 1.26Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| N2 | C9 | sing | 1.46Å | 1.47Å | |
| N2 | H13 | sing | 0.97Å | 1.00Å | |
| C9 | C10 | sing | 1.51Å | 1.55Å | |
| C9 | C11 | sing | 1.53Å | 1.52Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | O5 | doub | 1.21Å | 1.24Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| N3 | C12 | sing | 1.47Å | 1.51Å | |
| N3 | C16 | sing | 1.47Å | 1.45Å | |
| C12 | C13 | sing | 1.51Å | 1.49Å | |
| C12 | C14 | sing | 1.54Å | 1.52Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | O6 | doub | 1.21Å | 1.27Å | |
| C14 | C15 | sing | 1.55Å | 1.53Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | C16 | sing | 1.55Å | 1.50Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| O7 | C17 | sing | 1.43Å | 1.40Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C18 | N4 | sing | 1.47Å | 1.48Å | |
| N4 | H25 | sing | 0.97Å | 1.00Å | |
| O7 | H26 | sing | 0.97Å | 0.95Å | |
| C19 | C18 | sing | 1.53Å | 1.54Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| C19 | H30 | sing | 1.09Å | 1.10Å | |
| C17 | H31 | sing | 1.09Å | 1.10Å | |
| C20 | CL1 | sing | 1.80Å | 69.82Å | |
| C20 | H32 | sing | 1.09Å | 1.10Å | |
| C20 | H33 | sing | 1.09Å | 1.10Å | |
| C1 | N1 | sing | 1.35Å | 1.31Å | |
| C17 | C20 | sing | 1.53Å | 1.55Å | |
| C13 | N4 | sing | 1.35Å | 1.34Å | |
| C7 | N2 | sing | 1.35Å | 1.30Å | |
| C10 | N3 | sing | 1.35Å | 1.31Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 105.3° | 120.0° |
| O1 | C1 | N1 | 126.9° | 120.0° |
| C1 | C2 | C3 | 123.0° | 109.4° |
| C1 | C2 | H1 | 106.0° | 109.4° |
| C1 | C2 | H2 | 106.0° | 109.5° |
| C2 | C1 | N1 | 126.8° | 120.0° |
| C3 | C2 | H1 | 106.0° | 109.5° |
| C3 | C2 | H2 | 106.0° | 109.5° |
| C2 | C3 | C4 | 136.0° | 109.4° |
| C2 | C3 | H3 | 102.5° | 109.5° |
| C2 | C3 | H4 | 102.5° | 109.5° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| C4 | C3 | H3 | 102.5° | 109.4° |
| C4 | C3 | H4 | 102.5° | 109.5° |
| C3 | C4 | O2 | 106.7° | 120.0° |
| C3 | C4 | O3 | 107.3° | 120.0° |
| H3 | C3 | H4 | 109.5° | 109.5° |
| O2 | C4 | O3 | 117.3° | 120.0° |
| C4 | O3 | C5 | 112.1° | 117.0° |
| O3 | C5 | H5 | 109.5° | 109.5° |
| O3 | C5 | H6 | 109.5° | 109.4° |
| O3 | C5 | H7 | 109.5° | 109.5° |
| H5 | C5 | H6 | 109.4° | 109.4° |
| H5 | C5 | H7 | 109.4° | 109.5° |
| H6 | C5 | H7 | 109.5° | 109.5° |
| C6 | N1 | H8 | 121.8° | 120.0° |
| N1 | C6 | C7 | 103.1° | 109.5° |
| N1 | C6 | C8 | 106.6° | 109.5° |
| N1 | C6 | H9 | 112.0° | 109.4° |
| C6 | N1 | C1 | 116.4° | 120.0° |
| H8 | N1 | C1 | 121.8° | 120.0° |
| C7 | C6 | C8 | 112.3° | 109.5° |
| C7 | C6 | H9 | 111.2° | 109.5° |
| C6 | C7 | O4 | 118.0° | 120.0° |
| C6 | C7 | N2 | 118.7° | 120.0° |
| C8 | C6 | H9 | 111.3° | 109.5° |
| C6 | C8 | H10 | 109.5° | 109.5° |
| C6 | C8 | H11 | 109.5° | 109.4° |
| C6 | C8 | H12 | 109.4° | 109.4° |
| O4 | C7 | N2 | 123.3° | 120.0° |
| H10 | C8 | H11 | 109.5° | 109.5° |
| H10 | C8 | H12 | 109.5° | 109.5° |
| H11 | C8 | H12 | 109.5° | 109.5° |
| C9 | N2 | H13 | 118.3° | 120.0° |
| N2 | C9 | C10 | 105.1° | 109.5° |
| N2 | C9 | C11 | 108.9° | 109.5° |
| N2 | C9 | H14 | 112.0° | 109.5° |
| C9 | N2 | C7 | 123.4° | 120.0° |
| H13 | N2 | C7 | 118.3° | 120.0° |
| C10 | C9 | C11 | 108.7° | 109.5° |
| C10 | C9 | H14 | 110.8° | 109.5° |
| C9 | C10 | O5 | 117.5° | 120.0° |
| C9 | C10 | N3 | 113.8° | 120.0° |
| C11 | C9 | H14 | 111.2° | 109.5° |
| C9 | C11 | H15 | 109.5° | 109.4° |
| C9 | C11 | H16 | 109.5° | 109.5° |
| C9 | C11 | H17 | 109.4° | 109.5° |
| O5 | C10 | N3 | 128.7° | 120.0° |
| H15 | C11 | H16 | 109.4° | 109.5° |
| H15 | C11 | H17 | 109.5° | 109.5° |
| H16 | C11 | H17 | 109.5° | 109.4° |
| C12 | N3 | C16 | 111.7° | 108.7° |
| N3 | C12 | C13 | 108.3° | 109.9° |
| N3 | C12 | C14 | 103.3° | 107.3° |
| N3 | C12 | H18 | 109.0° | 109.9° |
| C12 | N3 | C10 | 118.1° | 125.7° |
| N3 | C16 | C15 | 106.7° | 104.7° |
| N3 | C16 | H23 | 110.2° | 110.4° |
| N3 | C16 | H24 | 110.1° | 110.4° |
| C16 | N3 | C10 | 130.2° | 125.6° |
| C13 | C12 | C14 | 117.7° | 109.9° |
| C13 | C12 | H18 | 109.2° | 109.9° |
| C12 | C13 | O6 | 120.3° | 120.0° |
| C12 | C13 | N4 | 117.8° | 120.0° |
| C14 | C12 | H18 | 108.9° | 110.0° |
| C12 | C14 | C15 | 106.3° | 102.9° |
| C12 | C14 | H19 | 110.3° | 110.7° |
| C12 | C14 | H20 | 110.2° | 110.7° |
| O6 | C13 | N4 | 121.9° | 120.0° |
| C15 | C14 | H19 | 110.3° | 110.8° |
| C15 | C14 | H20 | 110.3° | 110.7° |
| C14 | C15 | C16 | 105.1° | 101.5° |
| C14 | C15 | H21 | 110.6° | 111.0° |
| C14 | C15 | H22 | 110.5° | 111.0° |
| H19 | C14 | H20 | 109.5° | 110.8° |
| C16 | C15 | H21 | 110.6° | 111.2° |
| C16 | C15 | H22 | 110.6° | 110.9° |
| C15 | C16 | H23 | 110.1° | 110.5° |
| C15 | C16 | H24 | 110.2° | 110.3° |
| H21 | C15 | H22 | 109.5° | 110.9° |
| H23 | C16 | H24 | 109.5° | 110.5° |
| O7 | C17 | C18 | 112.4° | 109.5° |
| C17 | O7 | H26 | 109.5° | 114.0° |
| O7 | C17 | H31 | 106.9° | 109.5° |
| O7 | C17 | C20 | 108.5° | 109.4° |
| C17 | C18 | N4 | 110.8° | 109.4° |
| C17 | C18 | C19 | 112.3° | 109.5° |
| C17 | C18 | H27 | 108.7° | 109.5° |
| C18 | C17 | H31 | 105.6° | 109.5° |
| C18 | C17 | C20 | 117.4° | 109.5° |
| C18 | N4 | H25 | 119.7° | 120.0° |
| N4 | C18 | C19 | 107.3° | 109.5° |
| N4 | C18 | H27 | 109.3° | 109.5° |
| C18 | N4 | C13 | 120.7° | 120.0° |
| H25 | N4 | C13 | 119.7° | 120.0° |
| C19 | C18 | H27 | 108.4° | 109.5° |
| C18 | C19 | H28 | 109.5° | 109.5° |
| C18 | C19 | H29 | 109.5° | 109.5° |
| C18 | C19 | H30 | 109.5° | 109.5° |
| H28 | C19 | H29 | 109.5° | 109.5° |
| H28 | C19 | H30 | 109.5° | 109.4° |
| H29 | C19 | H30 | 109.5° | 109.4° |
| H31 | C17 | C20 | 105.2° | 109.5° |
| CL1 | C20 | H32 | 112.1° | 109.5° |
| CL1 | C20 | H33 | 112.0° | 109.5° |
| CL1 | C20 | C17 | 98.8° | 109.5° |
| H32 | C20 | H33 | 109.5° | 109.4° |
| H32 | C20 | C17 | 112.1° | 109.5° |
| H33 | C20 | C17 | 112.1° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 169.2° | 179.7° |
| O1 | C1 | C2 | C3 | 72.9° | 0.0° |
| O1 | C1 | C2 | H1 | 49.0° | 120.0° |
| O1 | C1 | C2 | H2 | 165.3° | 120.0° |
| O1 | C1 | N1 | C6 | 12.2° | 0.0° |
| O1 | C1 | N1 | H8 | 167.8° | 180.0° |
| C1 | C2 | C3 | H1 | 121.8° | 119.9° |
| C1 | C2 | C3 | H2 | 121.9° | 120.0° |
| C1 | C2 | H1 | H2 | 113.9° | 120.0° |
| C1 | C2 | C3 | C4 | 69.8° | 180.0° |
| C1 | C2 | C3 | H3 | 166.9° | 60.1° |
| C1 | C2 | C3 | H4 | 53.4° | 60.0° |
| C2 | C1 | N1 | C6 | 179.2° | 179.8° |
| C2 | C1 | N1 | H8 | 0.9° | 0.2° |
| C3 | C2 | H1 | H2 | 113.9° | 120.1° |
| C2 | C3 | C4 | H3 | 123.3° | 120.0° |
| C2 | C3 | C4 | H4 | 123.2° | 120.0° |
| C2 | C3 | H3 | H4 | 108.3° | 120.1° |
| C2 | C3 | C4 | O2 | 9.6° | 0.1° |
| C2 | C3 | C4 | O3 | 116.9° | 180.0° |
| C3 | C2 | C1 | N1 | 96.3° | 179.7° |
| H1 | C2 | C3 | C4 | 52.0° | 60.1° |
| H1 | C2 | C3 | H3 | 71.2° | 180.0° |
| H1 | C2 | C3 | H4 | 175.3° | 59.9° |
| H1 | C2 | C1 | N1 | 141.8° | 59.7° |
| H2 | C2 | C3 | C4 | 168.3° | 60.0° |
| H2 | C2 | C3 | H3 | 45.1° | 59.9° |
| H2 | C2 | C3 | H4 | 68.4° | 180.0° |
| H2 | C2 | C1 | N1 | 25.6° | 60.3° |
| C4 | C3 | H3 | H4 | 108.3° | 120.0° |
| C3 | C4 | O2 | O3 | 120.2° | 180.0° |
| C3 | C4 | O3 | C5 | 175.9° | 180.0° |
| H3 | C3 | C4 | O2 | 113.7° | 120.0° |
| H3 | C3 | C4 | O3 | 119.8° | 60.0° |
| H4 | C3 | C4 | O2 | 132.8° | 120.0° |
| H4 | C3 | C4 | O3 | 6.3° | 60.0° |
| O2 | C4 | O3 | C5 | 56.0° | 0.0° |
| C4 | O3 | C5 | H5 | 180.0° | 180.0° |
| C4 | O3 | C5 | H6 | 60.0° | 60.0° |
| C4 | O3 | C5 | H7 | 60.0° | 60.0° |
| O3 | C5 | H5 | H6 | 120.0° | 120.0° |
| O3 | C5 | H5 | H7 | 120.0° | 120.1° |
| O3 | C5 | H6 | H7 | 120.0° | 120.0° |
| H5 | C5 | H6 | H7 | 119.9° | 120.0° |
| C6 | N1 | H8 | C1 | 180.0° | 180.0° |
| N1 | C6 | C7 | C8 | 114.4° | 120.0° |
| N1 | C6 | C7 | H9 | 120.1° | 119.9° |
| N1 | C6 | C8 | H9 | 122.4° | 120.0° |
| N1 | C6 | C7 | O4 | 38.3° | 0.0° |
| N1 | C6 | C8 | H10 | 180.0° | 60.0° |
| N1 | C6 | C8 | H11 | 60.0° | 180.0° |
| N1 | C6 | C8 | H12 | 60.0° | 60.0° |
| N1 | C6 | C7 | N2 | 142.0° | 180.0° |
| H8 | N1 | C6 | C7 | 105.7° | 25.0° |
| H8 | N1 | C6 | C8 | 12.7° | 95.0° |
| H8 | N1 | C6 | H9 | 134.7° | 145.0° |
| C7 | C6 | C8 | H9 | 125.4° | 120.1° |
| C6 | C7 | O4 | N2 | 179.6° | 180.0° |
| C7 | C6 | C8 | H10 | 67.8° | 60.0° |
| C7 | C6 | C8 | H11 | 172.2° | 60.0° |
| C7 | C6 | C8 | H12 | 52.2° | 180.0° |
| C6 | C7 | N2 | C9 | 179.8° | 180.0° |
| C6 | C7 | N2 | H13 | 0.2° | 0.1° |
| C7 | C6 | N1 | C1 | 74.3° | 155.0° |
| C8 | C6 | C7 | O4 | 76.1° | 120.0° |
| C6 | C8 | H10 | H11 | 120.0° | 120.0° |
| C6 | C8 | H10 | H12 | 120.0° | 120.0° |
| C6 | C8 | H11 | H12 | 120.0° | 119.9° |
| C8 | C6 | N1 | C1 | 167.3° | 85.0° |
| C8 | C6 | C7 | N2 | 103.6° | 60.0° |
| H9 | C6 | C7 | O4 | 158.5° | 120.0° |
| H9 | C6 | C8 | H10 | 57.6° | 179.9° |
| H9 | C6 | C8 | H11 | 62.4° | 60.0° |
| H9 | C6 | C8 | H12 | 177.6° | 59.9° |
| H9 | C6 | N1 | C1 | 45.4° | 35.0° |
| H9 | C6 | C7 | N2 | 21.9° | 60.1° |
| O4 | C7 | N2 | C9 | 0.2° | 0.0° |
| O4 | C7 | N2 | H13 | 179.8° | 179.9° |
| H10 | C8 | H11 | H12 | 120.0° | 120.0° |
| C9 | N2 | H13 | C7 | 180.0° | 179.9° |
| N2 | C9 | C10 | C11 | 116.5° | 120.0° |
| N2 | C9 | C10 | H14 | 121.1° | 120.0° |
| N2 | C9 | C11 | H14 | 123.9° | 120.0° |
| N2 | C9 | C10 | O5 | 58.4° | 25.4° |
| N2 | C9 | C11 | H15 | 180.0° | 65.0° |
| N2 | C9 | C11 | H16 | 60.0° | 175.0° |
| N2 | C9 | C11 | H17 | 60.0° | 55.0° |
| N2 | C9 | C10 | N3 | 119.6° | 154.7° |
| H13 | N2 | C9 | C10 | 54.3° | 25.1° |
| H13 | N2 | C9 | C11 | 62.0° | 94.9° |
| H13 | N2 | C9 | H14 | 174.6° | 145.1° |
| C10 | C9 | C11 | H14 | 122.1° | 120.0° |
| C9 | C10 | O5 | N3 | 177.6° | 180.0° |
| C10 | C9 | C11 | H15 | 66.0° | 55.0° |
| C10 | C9 | C11 | H16 | 174.0° | 65.0° |
| C10 | C9 | C11 | H17 | 54.0° | 175.0° |
| C9 | C10 | N3 | C12 | 179.3° | 175.4° |
| C9 | C10 | N3 | C16 | 1.5° | 4.3° |
| C10 | C9 | N2 | C7 | 125.7° | 155.0° |
| C11 | C9 | C10 | O5 | 58.1° | 94.7° |
| C9 | C11 | H15 | H16 | 120.0° | 120.0° |
| C9 | C11 | H15 | H17 | 120.0° | 120.0° |
| C9 | C11 | H16 | H17 | 120.0° | 120.0° |
| C11 | C9 | N2 | C7 | 118.0° | 84.9° |
| C11 | C9 | C10 | N3 | 124.0° | 85.3° |
| H14 | C9 | C10 | O5 | 179.5° | 145.4° |
| H14 | C9 | C11 | H15 | 56.1° | 175.0° |
| H14 | C9 | C11 | H16 | 63.9° | 55.0° |
| H14 | C9 | C11 | H17 | 176.2° | 65.0° |
| H14 | C9 | N2 | C7 | 5.4° | 35.0° |
| H14 | C9 | C10 | N3 | 1.6° | 34.7° |
| O5 | C10 | N3 | C12 | 3.0° | 4.6° |
| O5 | C10 | N3 | C16 | 179.1° | 175.7° |
| H15 | C11 | H16 | H17 | 120.0° | 120.0° |
| C12 | N3 | C16 | C10 | 177.9° | 179.7° |
| N3 | C12 | C13 | C14 | 116.6° | 117.8° |
| N3 | C12 | C13 | H18 | 118.6° | 121.0° |
| N3 | C12 | C14 | H18 | 115.8° | 119.5° |
| N3 | C12 | C13 | O6 | 48.4° | 0.0° |
| N3 | C12 | C14 | C15 | 22.7° | 22.2° |
| N3 | C12 | C14 | H19 | 142.2° | 140.6° |
| N3 | C12 | C14 | H20 | 96.8° | 96.2° |
| C12 | N3 | C16 | C15 | 5.8° | 24.4° |
| C12 | N3 | C16 | H23 | 113.7° | 94.5° |
| C12 | N3 | C16 | H24 | 125.4° | 143.1° |
| N3 | C12 | C13 | N4 | 132.0° | 180.0° |
| C16 | N3 | C12 | C13 | 114.8° | 120.7° |
| C16 | N3 | C12 | C14 | 10.8° | 1.3° |
| C16 | N3 | C12 | H18 | 126.5° | 118.3° |
| N3 | C16 | C15 | C14 | 19.9° | 37.3° |
| N3 | C16 | C15 | H23 | 119.6° | 118.8° |
| N3 | C16 | C15 | H24 | 119.6° | 118.7° |
| N3 | C16 | C15 | H21 | 99.4° | 80.9° |
| N3 | C16 | C15 | H22 | 139.1° | 155.3° |
| N3 | C16 | H23 | H24 | 121.3° | 122.3° |
| C13 | C12 | C14 | H18 | 125.0° | 121.1° |
| C12 | C13 | O6 | N4 | 179.5° | 180.0° |
| C13 | C12 | C14 | C15 | 96.6° | 97.2° |
| C13 | C12 | C14 | H19 | 23.0° | 21.2° |
| C13 | C12 | C14 | H20 | 143.9° | 144.4° |
| C12 | C13 | N4 | C18 | 178.9° | 180.0° |
| C12 | C13 | N4 | H25 | 1.1° | 0.0° |
| C13 | C12 | N3 | C10 | 63.4° | 59.5° |
| C14 | C12 | C13 | O6 | 68.2° | 117.8° |
| C12 | C14 | C15 | H19 | 119.5° | 118.3° |
| C12 | C14 | C15 | H20 | 119.5° | 118.4° |
| C12 | C14 | H19 | H20 | 121.5° | 123.2° |
| C12 | C14 | C15 | C16 | 26.7° | 35.7° |
| C12 | C14 | C15 | H21 | 92.6° | 82.6° |
| C12 | C14 | C15 | H22 | 146.0° | 153.6° |
| C14 | C12 | C13 | N4 | 111.4° | 62.2° |
| C14 | C12 | N3 | C10 | 171.0° | 179.0° |
| H18 | C12 | C13 | O6 | 167.0° | 121.0° |
| H18 | C12 | C14 | C15 | 138.5° | 141.7° |
| H18 | C12 | C14 | H19 | 102.0° | 99.9° |
| H18 | C12 | C14 | H20 | 19.0° | 23.3° |
| H18 | C12 | C13 | N4 | 13.4° | 59.0° |
| H18 | C12 | N3 | C10 | 55.3° | 61.5° |
| O6 | C13 | N4 | C18 | 0.6° | 0.0° |
| O6 | C13 | N4 | H25 | 179.4° | 180.0° |
| C15 | C14 | H19 | H20 | 121.5° | 123.3° |
| C14 | C15 | C16 | H21 | 119.3° | 118.2° |
| C14 | C15 | C16 | H22 | 119.3° | 118.0° |
| C14 | C15 | H21 | H22 | 122.0° | 123.9° |
| C14 | C15 | C16 | H23 | 99.7° | 81.5° |
| C14 | C15 | C16 | H24 | 139.4° | 156.0° |
| H19 | C14 | C15 | C16 | 146.3° | 154.0° |
| H19 | C14 | C15 | H21 | 26.9° | 35.7° |
| H19 | C14 | C15 | H22 | 94.4° | 88.1° |
| H20 | C14 | C15 | C16 | 92.7° | 82.7° |
| H20 | C14 | C15 | H21 | 147.9° | 159.0° |
| H20 | C14 | C15 | H22 | 26.6° | 35.2° |
| C16 | C15 | H21 | H22 | 122.0° | 123.9° |
| C15 | C16 | H23 | H24 | 121.3° | 122.4° |
| C15 | C16 | N3 | C10 | 172.1° | 155.8° |
| H21 | C15 | C16 | H23 | 141.0° | 160.3° |
| H21 | C15 | C16 | H24 | 20.1° | 37.9° |
| H22 | C15 | C16 | H23 | 19.6° | 36.5° |
| H22 | C15 | C16 | H24 | 101.3° | 86.0° |
| H23 | C16 | N3 | C10 | 68.3° | 85.3° |
| H24 | C16 | N3 | C10 | 52.5° | 37.1° |
| O7 | C17 | C18 | H31 | 116.2° | 120.0° |
| O7 | C17 | C18 | C20 | 126.9° | 119.9° |
| O7 | C17 | C18 | N4 | 178.6° | 65.0° |
| O7 | C17 | C18 | C19 | 61.5° | 55.0° |
| O7 | C17 | C18 | H27 | 58.5° | 175.0° |
| O7 | C17 | H31 | C20 | 115.3° | 120.0° |
| O7 | C17 | C20 | CL1 | 161.9° | 65.0° |
| O7 | C17 | C20 | H32 | 43.7° | 174.9° |
| O7 | C17 | C20 | H33 | 79.9° | 55.0° |
| C17 | C18 | N4 | C19 | 122.9° | 120.0° |
| C17 | C18 | N4 | H27 | 119.8° | 120.0° |
| C17 | C18 | N4 | H25 | 76.8° | 25.0° |
| C18 | C17 | O7 | H26 | 180.0° | 59.9° |
| C17 | C18 | C19 | H27 | 120.1° | 120.0° |
| C17 | C18 | C19 | H28 | 180.0° | 60.0° |
| C17 | C18 | C19 | H29 | 60.0° | 180.0° |
| C17 | C18 | C19 | H30 | 60.0° | 60.0° |
| C18 | C17 | H31 | C20 | 124.9° | 120.0° |
| C18 | C17 | C20 | CL1 | 69.3° | 175.0° |
| C18 | C17 | C20 | H32 | 172.5° | 55.0° |
| C18 | C17 | C20 | H33 | 48.9° | 65.0° |
| C17 | C18 | N4 | C13 | 103.2° | 155.0° |
| C18 | N4 | H25 | C13 | 180.0° | 180.0° |
| N4 | C18 | C19 | H27 | 117.9° | 120.0° |
| N4 | C18 | C19 | H28 | 58.1° | 180.0° |
| N4 | C18 | C19 | H29 | 61.9° | 60.0° |
| N4 | C18 | C19 | H30 | 178.1° | 60.0° |
| N4 | C18 | C17 | H31 | 65.2° | 55.0° |
| N4 | C18 | C17 | C20 | 51.6° | 175.0° |
| H25 | N4 | C18 | C19 | 46.0° | 95.0° |
| H25 | N4 | C18 | H27 | 163.4° | 145.0° |
| H26 | O7 | C17 | H31 | 64.6° | 180.0° |
| H26 | O7 | C17 | C20 | 48.4° | 60.0° |
| C18 | C19 | H28 | H29 | 120.0° | 120.1° |
| C18 | C19 | H28 | H30 | 120.0° | 120.0° |
| C18 | C19 | H29 | H30 | 120.0° | 120.0° |
| C19 | C18 | C17 | H31 | 54.7° | 175.0° |
| C19 | C18 | C17 | C20 | 171.5° | 65.0° |
| C19 | C18 | N4 | C13 | 134.0° | 85.0° |
| H27 | C18 | C19 | H28 | 59.8° | 60.0° |
| H27 | C18 | C19 | H29 | 179.8° | 60.0° |
| H27 | C18 | C19 | H30 | 60.2° | 180.0° |
| H27 | C18 | C17 | H31 | 174.7° | 65.0° |
| H27 | C18 | C17 | C20 | 68.5° | 55.1° |
| H27 | C18 | N4 | C13 | 16.6° | 35.1° |
| H28 | C19 | H29 | H30 | 120.0° | 119.9° |
| H31 | C17 | C20 | CL1 | 47.8° | 54.9° |
| H31 | C17 | C20 | H32 | 70.5° | 65.1° |
| H31 | C17 | C20 | H33 | 166.0° | 175.0° |
| CL1 | C20 | H32 | H33 | 124.9° | 120.0° |
| CL1 | C20 | H32 | C17 | 110.1° | 120.0° |
| CL1 | C20 | H33 | C17 | 110.0° | 120.1° |
| H32 | C20 | H33 | C17 | 125.0° | 120.0° |
