PRD_000634
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.38Å | 1.41Å | Aromatic |
| C1 | C6 | doub | 1.38Å | 1.41Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | C3 | doub | 1.39Å | 1.41Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | sing | 1.39Å | 1.42Å | Aromatic |
| C3 | O1 | sing | 1.36Å | 1.28Å | |
| C4 | C5 | doub | 1.38Å | 1.41Å | Aromatic |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | C7 | sing | 1.51Å | 1.49Å | |
| O1 | P1 | sing | 1.61Å | 1.52Å | |
| P1 | O2 | sing | 1.61Å | 1.51Å | |
| P1 | O3 | doub | 1.48Å | 1.48Å | |
| P1 | O4 | sing | 1.61Å | 1.51Å | |
| O2 | H5 | sing | 0.97Å | 0.95Å | |
| O4 | H6 | sing | 0.97Å | 0.95Å | |
| C7 | C8 | sing | 1.53Å | 1.57Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | C9 | sing | 1.51Å | 1.47Å | |
| C8 | C10 | sing | 1.53Å | 1.56Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | O5 | doub | 1.21Å | 1.23Å | |
| C9 | N2 | sing | 1.35Å | 1.30Å | |
| C10 | C11 | sing | 1.51Å | 1.45Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | N1 | sing | 1.35Å | 1.29Å | |
| C11 | O7 | doub | 1.21Å | 1.22Å | |
| N1 | C12 | sing | 1.47Å | 1.39Å | |
| N1 | H13 | sing | 0.97Å | 1.00Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| N2 | C13 | sing | 1.46Å | 1.41Å | |
| N2 | H17 | sing | 0.97Å | 1.00Å | |
| C13 | C14 | sing | 1.51Å | 1.47Å | |
| C13 | C15 | sing | 1.53Å | 1.58Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | O8 | doub | 1.21Å | 1.22Å | |
| C14 | N3 | sing | 1.35Å | 1.30Å | |
| C15 | C16 | sing | 1.53Å | 1.57Å | |
| C15 | C17 | sing | 1.53Å | 1.56Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | C18 | sing | 1.53Å | 1.55Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C17 | H24 | sing | 1.09Å | 1.10Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C18 | H28 | sing | 1.09Å | 1.10Å | |
| N3 | C19 | sing | 1.47Å | 1.41Å | |
| N3 | H30 | sing | 0.97Å | 1.00Å | |
| C19 | C20 | sing | 1.51Å | 1.46Å | |
| C19 | C21 | sing | 1.53Å | 1.56Å | |
| C19 | H32 | sing | 1.09Å | 1.10Å | |
| C20 | O10 | doub | 1.21Å | 1.22Å | |
| C20 | N5 | sing | 1.35Å | 1.28Å | |
| C21 | C22 | sing | 1.51Å | 1.45Å | |
| C21 | H33 | sing | 1.09Å | 1.10Å | |
| C21 | H34 | sing | 1.09Å | 1.10Å | |
| C22 | O11 | doub | 1.21Å | 1.22Å | |
| C22 | N4 | sing | 1.35Å | 1.28Å | |
| N4 | H35 | sing | 0.97Å | 1.00Å | |
| N4 | H36 | sing | 0.97Å | 1.00Å | |
| N5 | H38 | sing | 0.97Å | 1.00Å | |
| N5 | H39 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 120.8° | 120.0° |
| C2 | C1 | H1 | 119.6° | 120.0° |
| C1 | C2 | C3 | 121.0° | 120.0° |
| C1 | C2 | H2 | 119.5° | 120.0° |
| C6 | C1 | H1 | 119.6° | 120.0° |
| C1 | C6 | C5 | 118.3° | 120.1° |
| C1 | C6 | C7 | 120.6° | 119.9° |
| C3 | C2 | H2 | 119.5° | 120.0° |
| C2 | C3 | C4 | 118.2° | 119.9° |
| C2 | C3 | O1 | 116.0° | 120.0° |
| C4 | C3 | O1 | 125.8° | 120.1° |
| C3 | C4 | C5 | 120.8° | 119.9° |
| C3 | C4 | H3 | 119.6° | 120.0° |
| C3 | O1 | P1 | 132.1° | 114.0° |
| C5 | C4 | H3 | 119.6° | 120.0° |
| C4 | C5 | C6 | 120.8° | 120.1° |
| C4 | C5 | H4 | 119.6° | 120.0° |
| C6 | C5 | H4 | 119.6° | 120.0° |
| C5 | C6 | C7 | 121.0° | 120.0° |
| C6 | C7 | C8 | 114.2° | 109.5° |
| C6 | C7 | H7 | 107.9° | 109.5° |
| C6 | C7 | H8 | 107.9° | 109.5° |
| O1 | P1 | O2 | 109.2° | 109.5° |
| O1 | P1 | O3 | 110.4° | 109.5° |
| O1 | P1 | O4 | 108.7° | 109.5° |
| O2 | P1 | O3 | 110.1° | 109.5° |
| O2 | P1 | O4 | 108.9° | 109.4° |
| P1 | O2 | H5 | 109.5° | 114.0° |
| O3 | P1 | O4 | 109.5° | 109.4° |
| P1 | O4 | H6 | 109.5° | 114.1° |
| C8 | C7 | H7 | 107.9° | 109.5° |
| C8 | C7 | H8 | 107.9° | 109.5° |
| C7 | C8 | C9 | 113.5° | 109.5° |
| C7 | C8 | C10 | 112.0° | 109.5° |
| C7 | C8 | H9 | 104.7° | 109.5° |
| H7 | C7 | H8 | 110.9° | 109.4° |
| C9 | C8 | C10 | 109.2° | 109.4° |
| C9 | C8 | H9 | 107.8° | 109.5° |
| C8 | C9 | O5 | 118.4° | 120.0° |
| C8 | C9 | N2 | 120.6° | 120.0° |
| C10 | C8 | H9 | 109.4° | 109.4° |
| C8 | C10 | C11 | 113.8° | 109.5° |
| C8 | C10 | H11 | 108.0° | 109.5° |
| C8 | C10 | H12 | 108.1° | 109.5° |
| O5 | C9 | N2 | 121.0° | 120.0° |
| C9 | N2 | C13 | 128.2° | 120.0° |
| C9 | N2 | H17 | 115.9° | 120.0° |
| C11 | C10 | H11 | 108.1° | 109.4° |
| C11 | C10 | H12 | 108.1° | 109.4° |
| C10 | C11 | N1 | 121.6° | 120.0° |
| C10 | C11 | O7 | 119.7° | 120.0° |
| H11 | C10 | H12 | 110.8° | 109.5° |
| N1 | C11 | O7 | 118.7° | 120.0° |
| C11 | N1 | C12 | 123.3° | 120.0° |
| C11 | N1 | H13 | 118.3° | 120.0° |
| C12 | N1 | H13 | 118.4° | 120.0° |
| N1 | C12 | H14 | 109.5° | 109.5° |
| N1 | C12 | H15 | 109.5° | 109.4° |
| N1 | C12 | H16 | 109.4° | 109.4° |
| H14 | C12 | H15 | 109.5° | 109.5° |
| H14 | C12 | H16 | 109.5° | 109.5° |
| H15 | C12 | H16 | 109.5° | 109.5° |
| C13 | N2 | H17 | 115.9° | 120.0° |
| N2 | C13 | C14 | 110.7° | 109.5° |
| N2 | C13 | C15 | 109.0° | 109.5° |
| N2 | C13 | H19 | 110.6° | 109.5° |
| C14 | C13 | C15 | 114.0° | 109.5° |
| C14 | C13 | H19 | 105.3° | 109.4° |
| C13 | C14 | O8 | 120.5° | 119.9° |
| C13 | C14 | N3 | 120.3° | 120.0° |
| C15 | C13 | H19 | 107.1° | 109.4° |
| C13 | C15 | C16 | 110.6° | 109.5° |
| C13 | C15 | C17 | 112.8° | 109.5° |
| C13 | C15 | H20 | 106.8° | 109.5° |
| O8 | C14 | N3 | 119.2° | 120.1° |
| C14 | N3 | C19 | 125.3° | 120.0° |
| C14 | N3 | H30 | 117.3° | 120.0° |
| C16 | C15 | C17 | 110.9° | 109.4° |
| C16 | C15 | H20 | 109.0° | 109.5° |
| C15 | C16 | C18 | 115.9° | 109.4° |
| C15 | C16 | H21 | 107.4° | 109.4° |
| C15 | C16 | H22 | 107.4° | 109.4° |
| C17 | C15 | H20 | 106.5° | 109.5° |
| C15 | C17 | H23 | 109.5° | 109.5° |
| C15 | C17 | H24 | 109.5° | 109.4° |
| C15 | C17 | H25 | 109.5° | 109.4° |
| C18 | C16 | H21 | 107.4° | 109.5° |
| C18 | C16 | H22 | 107.4° | 109.5° |
| C16 | C18 | H26 | 109.5° | 109.4° |
| C16 | C18 | H27 | 109.5° | 109.5° |
| C16 | C18 | H28 | 109.5° | 109.5° |
| H21 | C16 | H22 | 111.5° | 109.5° |
| H23 | C17 | H24 | 109.5° | 109.6° |
| H23 | C17 | H25 | 109.5° | 109.4° |
| H24 | C17 | H25 | 109.4° | 109.5° |
| H26 | C18 | H27 | 109.5° | 109.4° |
| H26 | C18 | H28 | 109.4° | 109.5° |
| H27 | C18 | H28 | 109.5° | 109.5° |
| C19 | N3 | H30 | 117.3° | 120.0° |
| N3 | C19 | C20 | 109.6° | 109.5° |
| N3 | C19 | C21 | 109.0° | 109.5° |
| N3 | C19 | H32 | 110.8° | 109.4° |
| C20 | C19 | C21 | 112.5° | 109.5° |
| C20 | C19 | H32 | 107.1° | 109.4° |
| C19 | C20 | O10 | 120.7° | 120.0° |
| C19 | C20 | N5 | 122.2° | 120.0° |
| C21 | C19 | H32 | 107.8° | 109.5° |
| C19 | C21 | C22 | 114.0° | 109.5° |
| C19 | C21 | H33 | 108.0° | 109.4° |
| C19 | C21 | H34 | 108.0° | 109.4° |
| O10 | C20 | N5 | 117.1° | 119.9° |
| C20 | N5 | H38 | 120.0° | 120.0° |
| C20 | N5 | H39 | 120.0° | 120.0° |
| C22 | C21 | H33 | 108.0° | 109.5° |
| C22 | C21 | H34 | 108.0° | 109.5° |
| C21 | C22 | O11 | 121.0° | 120.0° |
| C21 | C22 | N4 | 121.0° | 120.0° |
| H33 | C21 | H34 | 110.9° | 109.5° |
| O11 | C22 | N4 | 118.0° | 120.0° |
| C22 | N4 | H35 | 120.0° | 120.0° |
| C22 | N4 | H36 | 120.0° | 120.0° |
| H35 | N4 | H36 | 120.0° | 119.9° |
| H38 | N5 | H39 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 179.7° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 1.6° | 0.0° |
| C1 | C2 | C3 | O1 | 177.9° | 180.0° |
| C2 | C1 | C6 | C5 | 1.0° | 0.0° |
| C2 | C1 | C6 | C7 | 178.4° | 180.0° |
| C6 | C1 | C2 | C3 | 0.6° | 0.0° |
| C6 | C1 | C2 | H2 | 179.4° | 180.0° |
| C1 | C6 | C5 | C4 | 1.5° | 0.0° |
| C1 | C6 | C5 | C7 | 179.3° | 180.0° |
| C1 | C6 | C5 | H4 | 178.5° | 180.0° |
| C1 | C6 | C7 | C8 | 72.0° | 90.0° |
| C1 | C6 | C7 | H7 | 48.1° | 150.0° |
| C1 | C6 | C7 | H8 | 168.0° | 30.0° |
| H1 | C1 | C2 | C3 | 179.4° | 179.7° |
| H1 | C1 | C2 | H2 | 0.6° | 0.3° |
| H1 | C1 | C6 | C5 | 179.0° | 179.7° |
| H1 | C1 | C6 | C7 | 1.6° | 0.3° |
| C2 | C3 | C4 | O1 | 179.4° | 180.0° |
| C2 | C3 | C4 | C5 | 1.0° | 0.0° |
| C2 | C3 | C4 | H3 | 179.0° | 180.0° |
| C2 | C3 | O1 | P1 | 172.8° | 90.0° |
| H2 | C2 | C3 | C4 | 178.5° | 180.0° |
| H2 | C2 | C3 | O1 | 2.0° | 0.0° |
| C3 | C4 | C5 | H3 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.6° | 0.1° |
| C3 | C4 | C5 | H4 | 179.5° | 180.0° |
| C4 | C3 | O1 | P1 | 6.6° | 90.0° |
| O1 | C3 | C4 | C5 | 178.5° | 179.9° |
| O1 | C3 | C4 | H3 | 1.6° | 0.0° |
| C3 | O1 | P1 | O2 | 60.1° | 175.0° |
| C3 | O1 | P1 | O3 | 61.1° | 55.0° |
| C3 | O1 | P1 | O4 | 178.8° | 65.0° |
| C4 | C5 | C6 | H4 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 177.8° | 179.9° |
| H3 | C4 | C5 | C6 | 179.5° | 180.0° |
| H3 | C4 | C5 | H4 | 0.5° | 0.0° |
| C5 | C6 | C7 | C8 | 107.3° | 90.0° |
| C5 | C6 | C7 | H7 | 132.6° | 30.0° |
| C5 | C6 | C7 | H8 | 12.7° | 150.0° |
| H4 | C5 | C6 | C7 | 2.2° | 0.0° |
| C6 | C7 | C8 | H7 | 120.0° | 120.0° |
| C6 | C7 | C8 | H8 | 120.0° | 120.0° |
| C6 | C7 | H7 | H8 | 118.1° | 120.0° |
| C6 | C7 | C8 | C9 | 51.7° | 175.0° |
| C6 | C7 | C8 | C10 | 175.9° | 65.0° |
| C6 | C7 | C8 | H9 | 65.6° | 55.0° |
| O1 | P1 | O2 | O3 | 121.4° | 120.1° |
| O1 | P1 | O2 | O4 | 118.6° | 120.0° |
| O1 | P1 | O3 | O4 | 119.7° | 120.0° |
| O1 | P1 | O2 | H5 | 121.4° | 180.0° |
| O1 | P1 | O4 | H6 | 120.7° | 60.0° |
| O2 | P1 | O3 | O4 | 119.7° | 120.0° |
| O2 | P1 | O4 | H6 | 120.5° | 60.0° |
| O3 | P1 | O2 | H5 | 0.0° | 60.0° |
| O3 | P1 | O4 | H6 | 0.0° | 180.0° |
| O4 | P1 | O2 | H5 | 120.1° | 60.0° |
| C8 | C7 | H7 | H8 | 118.1° | 120.0° |
| C7 | C8 | C9 | C10 | 125.7° | 120.0° |
| C7 | C8 | C9 | H9 | 115.5° | 120.0° |
| C7 | C8 | C10 | H9 | 115.7° | 120.0° |
| C7 | C8 | C9 | O5 | 132.7° | 5.3° |
| C7 | C8 | C9 | N2 | 46.9° | 174.6° |
| C7 | C8 | C10 | C11 | 69.4° | 65.0° |
| C7 | C8 | C10 | H11 | 50.6° | 175.0° |
| C7 | C8 | C10 | H12 | 170.6° | 55.0° |
| H7 | C7 | C8 | C9 | 171.8° | 65.0° |
| H7 | C7 | C8 | C10 | 64.1° | 55.0° |
| H7 | C7 | C8 | H9 | 54.5° | 175.0° |
| H8 | C7 | C8 | C9 | 68.3° | 55.0° |
| H8 | C7 | C8 | C10 | 55.9° | 175.0° |
| H8 | C7 | C8 | H9 | 174.4° | 65.0° |
| C9 | C8 | C10 | H9 | 117.8° | 120.0° |
| C8 | C9 | O5 | N2 | 179.7° | 180.0° |
| C9 | C8 | C10 | C11 | 164.1° | 55.1° |
| C9 | C8 | C10 | H11 | 75.9° | 64.9° |
| C9 | C8 | C10 | H12 | 44.1° | 175.0° |
| C8 | C9 | N2 | C13 | 156.7° | 175.0° |
| C8 | C9 | N2 | H17 | 23.3° | 5.1° |
| C10 | C8 | C9 | O5 | 101.6° | 114.7° |
| C10 | C8 | C9 | N2 | 78.8° | 65.3° |
| C8 | C10 | C11 | H11 | 120.0° | 120.0° |
| C8 | C10 | C11 | H12 | 120.0° | 120.0° |
| C8 | C10 | H11 | H12 | 118.3° | 120.1° |
| C8 | C10 | C11 | N1 | 109.1° | 175.5° |
| C8 | C10 | C11 | O7 | 69.8° | 4.4° |
| H9 | C8 | C9 | O5 | 17.2° | 125.4° |
| H9 | C8 | C9 | N2 | 162.4° | 54.6° |
| H9 | C8 | C10 | C11 | 46.3° | 175.0° |
| H9 | C8 | C10 | H11 | 166.3° | 55.0° |
| H9 | C8 | C10 | H12 | 73.7° | 65.0° |
| O5 | C9 | N2 | C13 | 23.7° | 5.0° |
| O5 | C9 | N2 | H17 | 156.3° | 175.0° |
| C9 | N2 | C13 | H17 | 180.0° | 180.0° |
| C9 | N2 | C13 | C14 | 66.4° | 151.4° |
| C9 | N2 | C13 | C15 | 167.5° | 88.6° |
| C9 | N2 | C13 | H19 | 50.0° | 31.4° |
| C11 | C10 | H11 | H12 | 118.2° | 119.9° |
| C10 | C11 | N1 | O7 | 178.9° | 179.9° |
| C10 | C11 | N1 | C12 | 103.8° | 180.0° |
| C10 | C11 | N1 | H13 | 76.2° | 0.1° |
| H11 | C10 | C11 | N1 | 10.9° | 55.4° |
| H11 | C10 | C11 | O7 | 170.2° | 124.5° |
| H12 | C10 | C11 | N1 | 130.9° | 64.5° |
| H12 | C10 | C11 | O7 | 50.2° | 115.6° |
| C11 | N1 | C12 | H13 | 180.0° | 179.9° |
| C11 | N1 | C12 | H14 | 180.0° | 60.0° |
| C11 | N1 | C12 | H15 | 60.0° | 60.1° |
| C11 | N1 | C12 | H16 | 60.0° | 180.0° |
| O7 | C11 | N1 | C12 | 77.3° | 0.1° |
| O7 | C11 | N1 | H13 | 102.7° | 180.0° |
| N1 | C12 | H14 | H15 | 120.0° | 120.0° |
| N1 | C12 | H14 | H16 | 120.0° | 120.0° |
| N1 | C12 | H15 | H16 | 120.0° | 119.9° |
| H13 | N1 | C12 | H14 | 0.0° | 119.9° |
| H13 | N1 | C12 | H15 | 120.0° | 120.0° |
| H13 | N1 | C12 | H16 | 120.0° | 0.1° |
| H14 | C12 | H15 | H16 | 120.0° | 120.1° |
| N2 | C13 | C14 | C15 | 123.3° | 120.0° |
| N2 | C13 | C14 | H19 | 119.6° | 120.0° |
| N2 | C13 | C15 | H19 | 119.7° | 120.0° |
| N2 | C13 | C14 | O8 | 52.4° | 18.9° |
| N2 | C13 | C14 | N3 | 129.6° | 161.1° |
| N2 | C13 | C15 | C16 | 66.7° | 174.8° |
| N2 | C13 | C15 | C17 | 168.5° | 65.3° |
| N2 | C13 | C15 | H20 | 51.8° | 54.8° |
| H17 | N2 | C13 | C14 | 113.6° | 28.6° |
| H17 | N2 | C13 | C15 | 12.5° | 91.4° |
| H17 | N2 | C13 | H19 | 130.0° | 148.6° |
| C14 | C13 | C15 | H19 | 116.1° | 119.9° |
| C13 | C14 | O8 | N3 | 178.1° | 180.0° |
| C14 | C13 | C15 | C16 | 169.1° | 65.2° |
| C14 | C13 | C15 | C17 | 44.3° | 54.8° |
| C14 | C13 | C15 | H20 | 72.4° | 174.8° |
| C13 | C14 | N3 | C19 | 108.2° | 172.6° |
| C13 | C14 | N3 | H30 | 71.8° | 7.3° |
| C15 | C13 | C14 | O8 | 70.9° | 101.1° |
| C15 | C13 | C14 | N3 | 107.1° | 78.8° |
| C13 | C15 | C16 | C17 | 125.9° | 120.0° |
| C13 | C15 | C16 | H20 | 117.1° | 120.1° |
| C13 | C15 | C17 | H20 | 116.9° | 120.0° |
| C13 | C15 | C16 | C18 | 170.8° | 65.8° |
| C13 | C15 | C16 | H21 | 69.2° | 174.2° |
| C13 | C15 | C16 | H22 | 50.7° | 54.2° |
| C13 | C15 | C17 | H23 | 180.0° | 65.5° |
| C13 | C15 | C17 | H24 | 60.0° | 174.4° |
| C13 | C15 | C17 | H25 | 60.0° | 54.5° |
| H19 | C13 | C14 | O8 | 172.0° | 138.9° |
| H19 | C13 | C14 | N3 | 10.0° | 41.1° |
| H19 | C13 | C15 | C16 | 53.1° | 54.8° |
| H19 | C13 | C15 | C17 | 71.7° | 174.7° |
| H19 | C13 | C15 | H20 | 171.5° | 65.3° |
| O8 | C14 | N3 | C19 | 73.8° | 7.4° |
| O8 | C14 | N3 | H30 | 106.2° | 172.6° |
| C14 | N3 | C19 | H30 | 180.0° | 179.9° |
| C14 | N3 | C19 | C20 | 129.7° | 85.0° |
| C14 | N3 | C19 | C21 | 106.8° | 155.0° |
| C14 | N3 | C19 | H32 | 11.7° | 34.9° |
| C16 | C15 | C17 | H20 | 118.4° | 120.0° |
| C15 | C16 | C18 | H21 | 120.0° | 120.0° |
| C15 | C16 | C18 | H22 | 120.0° | 119.9° |
| C15 | C16 | H21 | H22 | 117.3° | 119.9° |
| C16 | C15 | C17 | H23 | 55.4° | 54.5° |
| C16 | C15 | C17 | H24 | 175.4° | 65.6° |
| C16 | C15 | C17 | H25 | 64.7° | 174.5° |
| C15 | C16 | C18 | H26 | 180.0° | 175.8° |
| C15 | C16 | C18 | H27 | 60.0° | 55.9° |
| C15 | C16 | C18 | H28 | 60.0° | 64.2° |
| C17 | C15 | C16 | C18 | 63.3° | 174.2° |
| C17 | C15 | C16 | H21 | 56.7° | 54.2° |
| C17 | C15 | C16 | H22 | 176.7° | 65.8° |
| C15 | C17 | H23 | H24 | 120.0° | 120.0° |
| C15 | C17 | H23 | H25 | 120.0° | 119.9° |
| C15 | C17 | H24 | H25 | 120.0° | 119.9° |
| H20 | C15 | C16 | C18 | 53.6° | 54.3° |
| H20 | C15 | C16 | H21 | 173.6° | 65.7° |
| H20 | C15 | C16 | H22 | 66.4° | 174.2° |
| H20 | C15 | C17 | H23 | 63.0° | 174.5° |
| H20 | C15 | C17 | H24 | 57.0° | 54.4° |
| H20 | C15 | C17 | H25 | 176.9° | 65.6° |
| C18 | C16 | H21 | H22 | 117.4° | 120.1° |
| C16 | C18 | H26 | H27 | 120.0° | 119.9° |
| C16 | C18 | H26 | H28 | 120.0° | 120.0° |
| C16 | C18 | H27 | H28 | 120.0° | 120.1° |
| H21 | C16 | C18 | H26 | 60.0° | 64.3° |
| H21 | C16 | C18 | H27 | 180.0° | 175.8° |
| H21 | C16 | C18 | H28 | 60.0° | 55.7° |
| H22 | C16 | C18 | H26 | 60.0° | 55.8° |
| H22 | C16 | C18 | H27 | 60.0° | 64.1° |
| H22 | C16 | C18 | H28 | 180.0° | 175.9° |
| H23 | C17 | H24 | H25 | 120.0° | 120.0° |
| H26 | C18 | H27 | H28 | 120.0° | 120.0° |
| N3 | C19 | C20 | C21 | 121.4° | 120.1° |
| N3 | C19 | C20 | H32 | 120.3° | 119.9° |
| N3 | C19 | C21 | H32 | 120.3° | 120.0° |
| N3 | C19 | C20 | O10 | 121.2° | 0.1° |
| N3 | C19 | C20 | N5 | 60.1° | 179.9° |
| N3 | C19 | C21 | C22 | 176.1° | 65.0° |
| N3 | C19 | C21 | H33 | 56.1° | 55.0° |
| N3 | C19 | C21 | H34 | 63.9° | 175.0° |
| H30 | N3 | C19 | C20 | 50.3° | 95.1° |
| H30 | N3 | C19 | C21 | 73.2° | 25.0° |
| H30 | N3 | C19 | H32 | 168.3° | 145.0° |
| C20 | C19 | C21 | H32 | 117.9° | 120.0° |
| C19 | C20 | O10 | N5 | 178.8° | 180.0° |
| C20 | C19 | C21 | C22 | 62.0° | 175.0° |
| C20 | C19 | C21 | H33 | 177.9° | 65.0° |
| C20 | C19 | C21 | H34 | 58.0° | 54.9° |
| C19 | C20 | N5 | H38 | 178.7° | 0.0° |
| C19 | C20 | N5 | H39 | 1.3° | 179.9° |
| C21 | C19 | C20 | O10 | 117.3° | 120.0° |
| C21 | C19 | C20 | N5 | 61.4° | 60.0° |
| C19 | C21 | C22 | H33 | 120.0° | 120.0° |
| C19 | C21 | C22 | H34 | 120.0° | 120.0° |
| C19 | C21 | H33 | H34 | 118.1° | 119.9° |
| C19 | C21 | C22 | O11 | 117.1° | 0.0° |
| C19 | C21 | C22 | N4 | 62.7° | 180.0° |
| H32 | C19 | C20 | O10 | 1.0° | 120.0° |
| H32 | C19 | C20 | N5 | 179.7° | 60.0° |
| H32 | C19 | C21 | C22 | 55.8° | 55.0° |
| H32 | C19 | C21 | H33 | 64.2° | 175.0° |
| H32 | C19 | C21 | H34 | 175.8° | 65.0° |
| O10 | C20 | N5 | H38 | 0.0° | 180.0° |
| O10 | C20 | N5 | H39 | 180.0° | 0.1° |
| C20 | N5 | H38 | H39 | 180.0° | 179.9° |
| C22 | C21 | H33 | H34 | 118.1° | 120.1° |
| C21 | C22 | O11 | N4 | 179.8° | 180.0° |
| C21 | C22 | N4 | H35 | 179.8° | 0.0° |
| C21 | C22 | N4 | H36 | 0.2° | 179.9° |
| H33 | C21 | C22 | O11 | 122.9° | 120.0° |
| H33 | C21 | C22 | N4 | 57.3° | 60.0° |
| H34 | C21 | C22 | O11 | 2.9° | 120.0° |
| H34 | C21 | C22 | N4 | 177.3° | 60.0° |
| O11 | C22 | N4 | H35 | 0.0° | 180.0° |
| O11 | C22 | N4 | H36 | 180.0° | 0.1° |
| C22 | N4 | H35 | H36 | 180.0° | 179.9° |
