PRD_002391
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.22Å | |
| C1 | C2 | sing | 1.51Å | 1.57Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| N1 | C3 | sing | 1.46Å | 1.42Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | C4 | sing | 1.51Å | 1.57Å | |
| C3 | C5 | sing | 1.53Å | 1.57Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | O2 | doub | 1.21Å | 1.20Å | |
| C5 | C6 | sing | 1.53Å | 1.57Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | C7 | sing | 1.53Å | 1.56Å | |
| C6 | C8 | sing | 1.53Å | 1.55Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| N2 | C9 | sing | 1.46Å | 1.45Å | |
| N2 | H15 | sing | 0.97Å | 1.00Å | |
| C9 | C10 | sing | 1.51Å | 1.58Å | |
| C9 | C11 | sing | 1.53Å | 1.47Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | O3 | doub | 1.21Å | 1.22Å | |
| C11 | C12 | sing | 1.53Å | 1.51Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C12 | C14 | sing | 1.53Å | 1.56Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| S1 | C19 | sing | 1.81Å | 1.82Å | |
| S1 | C18 | sing | 1.81Å | 1.86Å | |
| C17 | C18 | sing | 1.53Å | 1.46Å | |
| C17 | C16 | sing | 1.53Å | 1.56Å | |
| O4 | C15 | sing | 1.43Å | 1.21Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C16 | N3 | sing | 1.47Å | 1.50Å | |
| O4 | H26 | sing | 0.97Å | 0.95Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| C17 | H28 | sing | 1.09Å | 1.10Å | |
| C17 | H29 | sing | 1.09Å | 1.10Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| C18 | H31 | sing | 1.09Å | 1.10Å | |
| C19 | H32 | sing | 1.09Å | 1.10Å | |
| C19 | H33 | sing | 1.09Å | 1.10Å | |
| C19 | H34 | sing | 1.09Å | 1.10Å | |
| N3 | H35 | sing | 0.97Å | 1.00Å | |
| C15 | H36 | sing | 1.09Å | 1.10Å | |
| C15 | H37 | sing | 1.09Å | 1.10Å | |
| C1 | N1 | sing | 1.35Å | 1.39Å | |
| C4 | N2 | sing | 1.35Å | 1.34Å | |
| C10 | N3 | sing | 1.35Å | 1.39Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 120.5° | 120.0° |
| O1 | C1 | N1 | 118.0° | 120.0° |
| C1 | C2 | H1 | 109.5° | 109.4° |
| C1 | C2 | H2 | 109.4° | 109.5° |
| C1 | C2 | H3 | 109.4° | 109.5° |
| C2 | C1 | N1 | 121.5° | 120.0° |
| H1 | C2 | H2 | 109.5° | 109.4° |
| H1 | C2 | H3 | 109.5° | 109.5° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| C3 | N1 | H4 | 117.4° | 120.1° |
| N1 | C3 | C4 | 108.9° | 109.5° |
| N1 | C3 | C5 | 105.1° | 109.5° |
| N1 | C3 | H5 | 112.3° | 109.5° |
| C3 | N1 | C1 | 125.2° | 119.9° |
| H4 | N1 | C1 | 117.4° | 120.0° |
| C4 | C3 | C5 | 110.4° | 109.5° |
| C4 | C3 | H5 | 110.0° | 109.5° |
| C3 | C4 | O2 | 118.8° | 120.0° |
| C3 | C4 | N2 | 122.6° | 120.0° |
| C5 | C3 | H5 | 110.0° | 109.4° |
| C3 | C5 | C6 | 121.7° | 109.5° |
| C3 | C5 | H6 | 106.3° | 109.4° |
| C3 | C5 | H7 | 106.3° | 109.5° |
| O2 | C4 | N2 | 118.5° | 120.0° |
| C6 | C5 | H6 | 106.4° | 109.5° |
| C6 | C5 | H7 | 106.3° | 109.5° |
| C5 | C6 | C7 | 113.7° | 109.5° |
| C5 | C6 | C8 | 115.7° | 109.5° |
| C5 | C6 | H8 | 105.0° | 109.5° |
| H6 | C5 | H7 | 109.5° | 109.5° |
| C7 | C6 | C8 | 111.2° | 109.5° |
| C7 | C6 | H8 | 105.0° | 109.5° |
| C6 | C7 | H9 | 109.5° | 109.5° |
| C6 | C7 | H10 | 109.5° | 109.5° |
| C6 | C7 | H11 | 109.5° | 109.5° |
| C8 | C6 | H8 | 105.1° | 109.4° |
| C6 | C8 | H12 | 109.5° | 109.5° |
| C6 | C8 | H13 | 109.5° | 109.5° |
| C6 | C8 | H14 | 109.5° | 109.5° |
| H9 | C7 | H10 | 109.5° | 109.5° |
| H9 | C7 | H11 | 109.5° | 109.5° |
| H10 | C7 | H11 | 109.5° | 109.5° |
| H12 | C8 | H13 | 109.5° | 109.4° |
| H12 | C8 | H14 | 109.5° | 109.5° |
| H13 | C8 | H14 | 109.5° | 109.4° |
| C9 | N2 | H15 | 118.4° | 120.0° |
| N2 | C9 | C10 | 103.1° | 109.5° |
| N2 | C9 | C11 | 112.4° | 109.5° |
| N2 | C9 | H16 | 110.4° | 109.5° |
| C9 | N2 | C4 | 123.1° | 120.0° |
| H15 | N2 | C4 | 118.5° | 120.0° |
| C10 | C9 | C11 | 111.9° | 109.5° |
| C10 | C9 | H16 | 108.7° | 109.4° |
| C9 | C10 | O3 | 120.3° | 120.0° |
| C9 | C10 | N3 | 120.7° | 120.0° |
| C11 | C9 | H16 | 110.2° | 109.5° |
| C9 | C11 | C12 | 113.3° | 109.5° |
| C9 | C11 | H17 | 108.5° | 109.5° |
| C9 | C11 | H18 | 108.5° | 109.4° |
| O3 | C10 | N3 | 119.0° | 120.0° |
| C12 | C11 | H17 | 108.5° | 109.5° |
| C12 | C11 | H18 | 108.5° | 109.5° |
| C11 | C12 | C13 | 114.2° | 109.5° |
| C11 | C12 | C14 | 111.9° | 109.5° |
| C11 | C12 | H19 | 106.4° | 109.5° |
| H17 | C11 | H18 | 109.5° | 109.4° |
| C13 | C12 | C14 | 111.6° | 109.5° |
| C13 | C12 | H19 | 106.2° | 109.5° |
| C12 | C13 | H20 | 109.5° | 109.5° |
| C12 | C13 | H21 | 109.5° | 109.5° |
| C12 | C13 | H22 | 109.5° | 109.5° |
| C14 | C12 | H19 | 105.8° | 109.4° |
| C12 | C14 | H23 | 109.5° | 109.5° |
| C12 | C14 | H24 | 109.4° | 109.5° |
| C12 | C14 | H25 | 109.4° | 109.5° |
| H20 | C13 | H21 | 109.5° | 109.4° |
| H20 | C13 | H22 | 109.5° | 109.5° |
| H21 | C13 | H22 | 109.5° | 109.4° |
| H23 | C14 | H24 | 109.5° | 109.5° |
| H23 | C14 | H25 | 109.5° | 109.5° |
| H24 | C14 | H25 | 109.5° | 109.4° |
| C19 | S1 | C18 | 104.1° | 103.0° |
| S1 | C19 | H32 | 109.5° | 109.5° |
| S1 | C19 | H33 | 109.5° | 109.5° |
| S1 | C19 | H34 | 109.5° | 109.5° |
| S1 | C18 | C17 | 109.6° | 109.5° |
| S1 | C18 | H30 | 109.4° | 109.5° |
| S1 | C18 | H31 | 109.4° | 109.4° |
| C18 | C17 | C16 | 112.7° | 109.5° |
| C18 | C17 | H28 | 108.7° | 109.5° |
| C18 | C17 | H29 | 108.7° | 109.5° |
| C17 | C18 | H30 | 109.5° | 109.4° |
| C17 | C18 | H31 | 109.5° | 109.5° |
| C17 | C16 | C15 | 103.9° | 109.5° |
| C17 | C16 | N3 | 112.2° | 109.5° |
| C17 | C16 | H27 | 109.2° | 109.5° |
| C16 | C17 | H28 | 108.7° | 109.5° |
| C16 | C17 | H29 | 108.6° | 109.5° |
| O4 | C15 | C16 | 112.9° | 109.5° |
| C15 | O4 | H26 | 109.5° | 114.0° |
| O4 | C15 | H36 | 108.6° | 109.4° |
| O4 | C15 | H37 | 108.6° | 109.5° |
| C15 | C16 | N3 | 112.1° | 109.5° |
| C15 | C16 | H27 | 109.4° | 109.5° |
| C16 | C15 | H36 | 108.6° | 109.5° |
| C16 | C15 | H37 | 108.6° | 109.5° |
| N3 | C16 | H27 | 109.9° | 109.4° |
| C16 | N3 | H35 | 118.1° | 120.0° |
| C16 | N3 | C10 | 123.8° | 120.0° |
| H28 | C17 | H29 | 109.4° | 109.4° |
| H30 | C18 | H31 | 109.5° | 109.5° |
| H32 | C19 | H33 | 109.5° | 109.4° |
| H32 | C19 | H34 | 109.5° | 109.5° |
| H33 | C19 | H34 | 109.5° | 109.5° |
| H35 | N3 | C10 | 118.1° | 120.0° |
| H36 | C15 | H37 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 179.9° | 179.8° |
| O1 | C1 | C2 | H1 | 0.0° | 90.0° |
| O1 | C1 | C2 | H2 | 120.0° | 150.0° |
| O1 | C1 | C2 | H3 | 120.0° | 30.0° |
| O1 | C1 | N1 | C3 | 0.8° | 0.0° |
| O1 | C1 | N1 | H4 | 179.2° | 180.0° |
| C1 | C2 | H1 | H2 | 120.0° | 120.0° |
| C1 | C2 | H1 | H3 | 120.0° | 120.0° |
| C1 | C2 | H2 | H3 | 120.0° | 120.0° |
| C2 | C1 | N1 | C3 | 179.3° | 179.7° |
| C2 | C1 | N1 | H4 | 0.7° | 0.3° |
| H1 | C2 | H2 | H3 | 120.0° | 120.0° |
| H1 | C2 | C1 | N1 | 179.9° | 89.7° |
| H2 | C2 | C1 | N1 | 59.9° | 30.2° |
| H3 | C2 | C1 | N1 | 60.1° | 150.2° |
| C3 | N1 | H4 | C1 | 180.0° | 180.0° |
| N1 | C3 | C4 | C5 | 114.9° | 120.1° |
| N1 | C3 | C4 | H5 | 123.5° | 120.0° |
| N1 | C3 | C5 | H5 | 121.1° | 120.0° |
| N1 | C3 | C4 | O2 | 64.4° | 20.0° |
| N1 | C3 | C5 | C6 | 165.2° | 62.2° |
| N1 | C3 | C5 | H6 | 43.5° | 57.8° |
| N1 | C3 | C5 | H7 | 73.1° | 177.8° |
| N1 | C3 | C4 | N2 | 117.3° | 160.0° |
| H4 | N1 | C3 | C4 | 48.1° | 120.0° |
| H4 | N1 | C3 | C5 | 70.2° | 120.0° |
| H4 | N1 | C3 | H5 | 170.2° | 0.0° |
| C4 | C3 | C5 | H5 | 121.6° | 120.0° |
| C3 | C4 | O2 | N2 | 178.4° | 180.0° |
| C4 | C3 | C5 | C6 | 77.5° | 177.8° |
| C4 | C3 | C5 | H6 | 160.8° | 62.2° |
| C4 | C3 | C5 | H7 | 44.2° | 57.8° |
| C3 | C4 | N2 | C9 | 175.5° | 174.9° |
| C3 | C4 | N2 | H15 | 4.5° | 5.0° |
| C4 | C3 | N1 | C1 | 131.9° | 60.0° |
| C5 | C3 | C4 | O2 | 50.6° | 100.0° |
| C3 | C5 | C6 | H6 | 121.7° | 120.0° |
| C3 | C5 | C6 | H7 | 121.7° | 120.0° |
| C3 | C5 | H6 | H7 | 114.5° | 120.0° |
| C3 | C5 | C6 | C7 | 140.2° | 173.8° |
| C3 | C5 | C6 | C8 | 9.8° | 66.1° |
| C3 | C5 | C6 | H8 | 105.6° | 53.8° |
| C5 | C3 | N1 | C1 | 109.8° | 60.0° |
| C5 | C3 | C4 | N2 | 127.7° | 80.0° |
| H5 | C3 | C4 | O2 | 172.2° | 140.0° |
| H5 | C3 | C5 | C6 | 44.1° | 57.8° |
| H5 | C3 | C5 | H6 | 77.6° | 177.8° |
| H5 | C3 | C5 | H7 | 165.8° | 62.2° |
| H5 | C3 | N1 | C1 | 9.8° | 180.0° |
| H5 | C3 | C4 | N2 | 6.1° | 40.0° |
| O2 | C4 | N2 | C9 | 2.8° | 5.1° |
| O2 | C4 | N2 | H15 | 177.2° | 175.0° |
| C6 | C5 | H6 | H7 | 114.5° | 120.1° |
| C5 | C6 | C7 | C8 | 132.7° | 120.0° |
| C5 | C6 | C7 | H8 | 114.2° | 120.0° |
| C5 | C6 | C8 | H8 | 115.3° | 120.0° |
| C5 | C6 | C7 | H9 | 180.0° | 175.1° |
| C5 | C6 | C7 | H10 | 60.0° | 64.9° |
| C5 | C6 | C7 | H11 | 60.0° | 55.1° |
| C5 | C6 | C8 | H12 | 180.0° | 60.0° |
| C5 | C6 | C8 | H13 | 60.0° | 180.0° |
| C5 | C6 | C8 | H14 | 60.0° | 60.0° |
| H6 | C5 | C6 | C7 | 98.1° | 53.9° |
| H6 | C5 | C6 | C8 | 131.5° | 173.9° |
| H6 | C5 | C6 | H8 | 16.1° | 66.1° |
| H7 | C5 | C6 | C7 | 18.6° | 66.1° |
| H7 | C5 | C6 | C8 | 111.9° | 53.9° |
| H7 | C5 | C6 | H8 | 132.7° | 173.8° |
| C7 | C6 | C8 | H8 | 113.1° | 120.0° |
| C6 | C7 | H9 | H10 | 120.0° | 120.0° |
| C6 | C7 | H9 | H11 | 120.0° | 120.0° |
| C6 | C7 | H10 | H11 | 120.0° | 120.0° |
| C7 | C6 | C8 | H12 | 48.4° | 180.0° |
| C7 | C6 | C8 | H13 | 71.6° | 60.0° |
| C7 | C6 | C8 | H14 | 168.4° | 60.0° |
| C8 | C6 | C7 | H9 | 47.3° | 55.1° |
| C8 | C6 | C7 | H10 | 167.3° | 175.1° |
| C8 | C6 | C7 | H11 | 72.7° | 64.9° |
| C6 | C8 | H12 | H13 | 120.0° | 120.0° |
| C6 | C8 | H12 | H14 | 120.0° | 120.1° |
| C6 | C8 | H13 | H14 | 120.0° | 120.0° |
| H8 | C6 | C7 | H9 | 65.8° | 64.9° |
| H8 | C6 | C7 | H10 | 54.2° | 55.1° |
| H8 | C6 | C7 | H11 | 174.2° | 175.1° |
| H8 | C6 | C8 | H12 | 64.7° | 59.9° |
| H8 | C6 | C8 | H13 | 175.3° | 60.0° |
| H8 | C6 | C8 | H14 | 55.3° | 180.0° |
| H9 | C7 | H10 | H11 | 120.0° | 120.0° |
| H12 | C8 | H13 | H14 | 120.0° | 120.0° |
| C9 | N2 | H15 | C4 | 180.0° | 179.9° |
| N2 | C9 | C10 | C11 | 121.0° | 120.1° |
| N2 | C9 | C10 | H16 | 117.2° | 120.0° |
| N2 | C9 | C11 | H16 | 123.6° | 120.0° |
| N2 | C9 | C10 | O3 | 60.6° | 22.7° |
| N2 | C9 | C11 | C12 | 71.2° | 178.6° |
| N2 | C9 | C11 | H17 | 49.4° | 58.6° |
| N2 | C9 | C11 | H18 | 168.2° | 61.3° |
| N2 | C9 | C10 | N3 | 120.2° | 157.3° |
| H15 | N2 | C9 | C10 | 103.9° | 28.0° |
| H15 | N2 | C9 | C11 | 16.8° | 92.0° |
| H15 | N2 | C9 | H16 | 140.2° | 147.9° |
| C10 | C9 | C11 | H16 | 121.0° | 119.9° |
| C9 | C10 | O3 | N3 | 179.2° | 180.0° |
| C10 | C9 | C11 | C12 | 173.4° | 61.3° |
| C10 | C9 | C11 | H17 | 66.0° | 178.7° |
| C10 | C9 | C11 | H18 | 52.8° | 58.7° |
| C9 | C10 | N3 | C16 | 176.7° | 175.2° |
| C9 | C10 | N3 | H35 | 3.3° | 4.9° |
| C10 | C9 | N2 | C4 | 76.1° | 152.1° |
| C11 | C9 | C10 | O3 | 60.4° | 97.4° |
| C9 | C11 | C12 | H17 | 120.6° | 120.0° |
| C9 | C11 | C12 | H18 | 120.6° | 120.0° |
| C9 | C11 | H17 | H18 | 118.2° | 119.9° |
| C9 | C11 | C12 | C13 | 179.9° | 66.1° |
| C9 | C11 | C12 | C14 | 52.1° | 173.9° |
| C9 | C11 | C12 | H19 | 63.0° | 53.9° |
| C11 | C9 | N2 | C4 | 163.3° | 87.9° |
| C11 | C9 | C10 | N3 | 118.8° | 82.7° |
| H16 | C9 | C10 | O3 | 177.7° | 142.6° |
| H16 | C9 | C11 | C12 | 52.4° | 58.6° |
| H16 | C9 | C11 | H17 | 173.0° | 61.4° |
| H16 | C9 | C11 | H18 | 68.2° | 178.6° |
| H16 | C9 | N2 | C4 | 39.8° | 32.2° |
| H16 | C9 | C10 | N3 | 3.1° | 37.3° |
| O3 | C10 | N3 | C16 | 4.1° | 4.8° |
| O3 | C10 | N3 | H35 | 175.9° | 175.1° |
| C12 | C11 | H17 | H18 | 118.3° | 120.0° |
| C11 | C12 | C13 | C14 | 128.2° | 120.1° |
| C11 | C12 | C13 | H19 | 117.0° | 120.0° |
| C11 | C12 | C14 | H19 | 115.5° | 120.0° |
| C11 | C12 | C13 | H20 | 180.0° | 176.4° |
| C11 | C12 | C13 | H21 | 60.0° | 56.4° |
| C11 | C12 | C13 | H22 | 60.0° | 63.6° |
| C11 | C12 | C14 | H23 | 180.0° | 60.0° |
| C11 | C12 | C14 | H24 | 60.0° | 180.0° |
| C11 | C12 | C14 | H25 | 60.0° | 60.0° |
| H17 | C11 | C12 | C13 | 59.4° | 53.9° |
| H17 | C11 | C12 | C14 | 172.6° | 66.1° |
| H17 | C11 | C12 | H19 | 57.5° | 173.9° |
| H18 | C11 | C12 | C13 | 59.5° | 173.9° |
| H18 | C11 | C12 | C14 | 68.5° | 53.9° |
| H18 | C11 | C12 | H19 | 176.4° | 66.1° |
| C13 | C12 | C14 | H19 | 115.1° | 120.0° |
| C12 | C13 | H20 | H21 | 120.0° | 120.0° |
| C12 | C13 | H20 | H22 | 120.0° | 120.1° |
| C12 | C13 | H21 | H22 | 120.0° | 120.0° |
| C13 | C12 | C14 | H23 | 50.6° | 180.0° |
| C13 | C12 | C14 | H24 | 69.4° | 59.9° |
| C13 | C12 | C14 | H25 | 170.6° | 60.0° |
| C14 | C12 | C13 | H20 | 51.8° | 63.6° |
| C14 | C12 | C13 | H21 | 171.8° | 176.4° |
| C14 | C12 | C13 | H22 | 68.2° | 56.5° |
| C12 | C14 | H23 | H24 | 120.0° | 120.1° |
| C12 | C14 | H23 | H25 | 120.0° | 120.0° |
| C12 | C14 | H24 | H25 | 119.9° | 120.0° |
| H19 | C12 | C13 | H20 | 63.0° | 56.4° |
| H19 | C12 | C13 | H21 | 57.0° | 63.6° |
| H19 | C12 | C13 | H22 | 177.0° | 176.4° |
| H19 | C12 | C14 | H23 | 64.5° | 60.0° |
| H19 | C12 | C14 | H24 | 175.5° | 60.1° |
| H19 | C12 | C14 | H25 | 55.5° | 180.0° |
| H20 | C13 | H21 | H22 | 120.0° | 120.0° |
| H23 | C14 | H24 | H25 | 120.0° | 119.9° |
| C19 | S1 | C18 | C17 | 118.4° | 180.0° |
| C19 | S1 | C18 | H30 | 121.6° | 60.0° |
| C19 | S1 | C18 | H31 | 1.6° | 60.0° |
| S1 | C19 | H32 | H33 | 120.0° | 120.0° |
| S1 | C19 | H32 | H34 | 120.0° | 120.0° |
| S1 | C19 | H33 | H34 | 120.0° | 120.0° |
| S1 | C18 | C17 | H30 | 120.0° | 120.0° |
| S1 | C18 | C17 | H31 | 120.0° | 120.0° |
| S1 | C18 | C17 | C16 | 178.3° | 180.0° |
| S1 | C18 | C17 | H28 | 57.8° | 60.0° |
| S1 | C18 | C17 | H29 | 61.3° | 60.0° |
| S1 | C18 | H30 | H31 | 119.9° | 120.0° |
| C18 | S1 | C19 | H32 | 180.0° | 60.0° |
| C18 | S1 | C19 | H33 | 60.0° | 60.0° |
| C18 | S1 | C19 | H34 | 60.0° | 180.0° |
| C18 | C17 | C16 | H28 | 120.5° | 120.0° |
| C18 | C17 | C16 | H29 | 120.5° | 120.1° |
| C18 | C17 | C16 | C15 | 176.3° | 175.0° |
| C18 | C17 | C16 | N3 | 62.4° | 64.9° |
| C18 | C17 | C16 | H27 | 59.6° | 55.0° |
| C18 | C17 | H28 | H29 | 118.6° | 120.0° |
| C17 | C18 | H30 | H31 | 120.0° | 120.0° |
| C17 | C16 | C15 | O4 | 64.1° | 55.0° |
| C17 | C16 | C15 | N3 | 121.4° | 120.0° |
| C17 | C16 | C15 | H27 | 116.5° | 120.0° |
| C17 | C16 | N3 | H27 | 121.7° | 120.0° |
| C16 | C17 | H28 | H29 | 118.5° | 120.0° |
| C16 | C17 | C18 | H30 | 61.7° | 60.0° |
| C16 | C17 | C18 | H31 | 58.3° | 60.0° |
| C17 | C16 | N3 | H35 | 47.0° | 25.1° |
| C17 | C16 | C15 | H36 | 175.4° | 65.0° |
| C17 | C16 | C15 | H37 | 56.4° | 175.0° |
| C17 | C16 | N3 | C10 | 133.0° | 155.0° |
| O4 | C15 | C16 | H36 | 120.5° | 120.0° |
| O4 | C15 | C16 | H37 | 120.5° | 120.0° |
| O4 | C15 | C16 | N3 | 174.4° | 65.0° |
| O4 | C15 | C16 | H27 | 52.3° | 175.0° |
| O4 | C15 | H36 | H37 | 118.5° | 120.0° |
| C15 | C16 | N3 | H27 | 121.8° | 120.0° |
| C16 | C15 | O4 | H26 | 180.0° | 180.0° |
| C15 | C16 | C17 | H28 | 55.7° | 65.0° |
| C15 | C16 | C17 | H29 | 63.2° | 54.9° |
| C15 | C16 | N3 | H35 | 69.5° | 95.0° |
| C16 | C15 | H36 | H37 | 118.5° | 120.0° |
| C15 | C16 | N3 | C10 | 110.5° | 84.9° |
| N3 | C16 | C17 | H28 | 177.0° | 55.0° |
| N3 | C16 | C17 | H29 | 58.1° | 175.0° |
| C16 | N3 | H35 | C10 | 180.0° | 179.9° |
| N3 | C16 | C15 | H36 | 53.9° | 175.0° |
| N3 | C16 | C15 | H37 | 65.1° | 55.0° |
| H26 | O4 | C15 | H36 | 59.5° | 60.0° |
| H26 | O4 | C15 | H37 | 59.5° | 60.0° |
| H27 | C16 | C17 | H28 | 60.9° | 175.0° |
| H27 | C16 | C17 | H29 | 179.9° | 65.1° |
| H27 | C16 | N3 | H35 | 168.6° | 145.0° |
| H27 | C16 | C15 | H36 | 68.2° | 55.1° |
| H27 | C16 | C15 | H37 | 172.8° | 64.9° |
| H27 | C16 | N3 | C10 | 11.4° | 35.0° |
| H28 | C17 | C18 | H30 | 177.8° | 180.0° |
| H28 | C17 | C18 | H31 | 62.2° | 60.0° |
| H29 | C17 | C18 | H30 | 58.7° | 60.0° |
| H29 | C17 | C18 | H31 | 178.7° | 179.9° |
| H32 | C19 | H33 | H34 | 120.0° | 120.0° |
