PRD_000635
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 | 1.42Å | 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 | 1.40Å | 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 | 1.57Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | O5 | doub | 1.21Å | 1.23Å | |
| C9 | N2 | sing | 1.35Å | 1.31Å | |
| C10 | C11 | sing | 1.51Å | 1.46Å | |
| 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 | 1.46Å | 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 | 1.56Å | |
| 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 | 1.56Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.51Å | 1.45Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C17 | O9 | doub | 1.21Å | 1.22Å | |
| C17 | O10 | sing | 1.34Å | 1.23Å | |
| O10 | H24 | sing | 0.97Å | 0.95Å | |
| N3 | C18 | sing | 1.47Å | 1.41Å | |
| N3 | H26 | sing | 0.97Å | 1.00Å | |
| C18 | C19 | sing | 1.51Å | 1.46Å | |
| C18 | C20 | sing | 1.53Å | 1.57Å | |
| C18 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | O12 | doub | 1.21Å | 1.22Å | |
| C19 | N5 | sing | 1.35Å | 1.28Å | |
| C20 | C21 | sing | 1.51Å | 1.45Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| C20 | H30 | sing | 1.09Å | 1.10Å | |
| C21 | O13 | doub | 1.21Å | 1.22Å | |
| C21 | N4 | sing | 1.35Å | 1.28Å | |
| N4 | H31 | sing | 0.97Å | 1.00Å | |
| N4 | H32 | sing | 0.97Å | 1.00Å | |
| N5 | H34 | sing | 0.97Å | 1.00Å | |
| N5 | H35 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 120.6° | 120.1° |
| C2 | C1 | H1 | 119.7° | 120.0° |
| C1 | C2 | C3 | 120.9° | 119.9° |
| C1 | C2 | H2 | 119.6° | 120.0° |
| C6 | C1 | H1 | 119.7° | 119.9° |
| C1 | C6 | C5 | 118.4° | 120.1° |
| C1 | C6 | C7 | 120.8° | 120.0° |
| C3 | C2 | H2 | 119.6° | 120.1° |
| C2 | C3 | C4 | 118.6° | 119.9° |
| C2 | C3 | O1 | 115.7° | 120.0° |
| C4 | C3 | O1 | 125.7° | 120.1° |
| C3 | C4 | C5 | 120.6° | 120.0° |
| C3 | C4 | H3 | 119.7° | 120.0° |
| C3 | O1 | P1 | 132.2° | 114.0° |
| C5 | C4 | H3 | 119.7° | 120.0° |
| C4 | C5 | C6 | 120.9° | 120.1° |
| C4 | C5 | H4 | 119.5° | 119.9° |
| C6 | C5 | H4 | 119.5° | 120.0° |
| C5 | C6 | C7 | 120.8° | 120.0° |
| C6 | C7 | C8 | 114.7° | 109.5° |
| C6 | C7 | H7 | 107.8° | 109.5° |
| C6 | C7 | H8 | 107.7° | 109.5° |
| O1 | P1 | O2 | 109.5° | 109.5° |
| O1 | P1 | O3 | 110.0° | 109.5° |
| O1 | P1 | O4 | 108.7° | 109.5° |
| O2 | P1 | O3 | 110.2° | 109.5° |
| O2 | P1 | O4 | 108.7° | 109.5° |
| P1 | O2 | H5 | 109.5° | 114.0° |
| O3 | P1 | O4 | 109.7° | 109.5° |
| P1 | O4 | H6 | 109.5° | 114.0° |
| C8 | C7 | H7 | 107.8° | 109.5° |
| C8 | C7 | H8 | 107.8° | 109.4° |
| C7 | C8 | C9 | 115.1° | 109.5° |
| C7 | C8 | C10 | 110.7° | 109.5° |
| C7 | C8 | H9 | 104.9° | 109.5° |
| H7 | C7 | H8 | 111.1° | 109.5° |
| C9 | C8 | C10 | 110.4° | 109.5° |
| C9 | C8 | H9 | 105.3° | 109.5° |
| C8 | C9 | O5 | 117.9° | 120.0° |
| C8 | C9 | N2 | 121.9° | 120.0° |
| C10 | C8 | H9 | 110.2° | 109.5° |
| C8 | C10 | C11 | 113.4° | 109.4° |
| C8 | C10 | H11 | 108.2° | 109.4° |
| C8 | C10 | H12 | 108.2° | 109.5° |
| O5 | C9 | N2 | 120.2° | 120.0° |
| C9 | N2 | C13 | 129.2° | 120.0° |
| C9 | N2 | H17 | 115.4° | 120.0° |
| C11 | C10 | H11 | 108.2° | 109.5° |
| C11 | C10 | H12 | 108.2° | 109.5° |
| C10 | C11 | N1 | 123.2° | 120.0° |
| C10 | C11 | O7 | 119.6° | 120.0° |
| H11 | C10 | H12 | 110.7° | 109.5° |
| N1 | C11 | O7 | 117.0° | 120.0° |
| C11 | N1 | C12 | 124.7° | 120.0° |
| C11 | N1 | H13 | 117.7° | 119.9° |
| C12 | N1 | H13 | 117.7° | 120.1° |
| N1 | C12 | H14 | 109.5° | 109.4° |
| N1 | C12 | H15 | 109.4° | 109.5° |
| N1 | C12 | H16 | 109.5° | 109.5° |
| H14 | C12 | H15 | 109.5° | 109.5° |
| H14 | C12 | H16 | 109.5° | 109.5° |
| H15 | C12 | H16 | 109.5° | 109.5° |
| C13 | N2 | H17 | 115.4° | 120.0° |
| N2 | C13 | C14 | 113.7° | 109.5° |
| N2 | C13 | C15 | 107.4° | 109.5° |
| N2 | C13 | H19 | 108.3° | 109.5° |
| C14 | C13 | C15 | 110.3° | 109.5° |
| C14 | C13 | H19 | 105.4° | 109.5° |
| C13 | C14 | O8 | 119.4° | 120.0° |
| C13 | C14 | N3 | 124.8° | 120.0° |
| C15 | C13 | H19 | 111.8° | 109.4° |
| C13 | C15 | C16 | 114.0° | 109.4° |
| C13 | C15 | H20 | 108.0° | 109.4° |
| C13 | C15 | H21 | 108.0° | 109.5° |
| O8 | C14 | N3 | 115.9° | 120.0° |
| C14 | N3 | C18 | 125.7° | 120.0° |
| C14 | N3 | H26 | 117.1° | 120.0° |
| C16 | C15 | H20 | 108.0° | 109.5° |
| C16 | C15 | H21 | 108.0° | 109.5° |
| C15 | C16 | C17 | 112.0° | 109.4° |
| C15 | C16 | H22 | 108.6° | 109.5° |
| C15 | C16 | H23 | 108.6° | 109.5° |
| H20 | C15 | H21 | 110.9° | 109.5° |
| C17 | C16 | H22 | 108.6° | 109.4° |
| C17 | C16 | H23 | 108.6° | 109.5° |
| C16 | C17 | O9 | 120.4° | 120.1° |
| C16 | C17 | O10 | 121.8° | 120.0° |
| H22 | C16 | H23 | 110.3° | 109.5° |
| O9 | C17 | O10 | 117.8° | 120.0° |
| C17 | O10 | H24 | 109.5° | 117.0° |
| C18 | N3 | H26 | 117.1° | 120.0° |
| N3 | C18 | C19 | 109.2° | 109.4° |
| N3 | C18 | C20 | 115.3° | 109.5° |
| N3 | C18 | H28 | 106.2° | 109.5° |
| C19 | C18 | C20 | 111.2° | 109.5° |
| C19 | C18 | H28 | 110.7° | 109.4° |
| C18 | C19 | O12 | 120.5° | 120.0° |
| C18 | C19 | N5 | 122.4° | 120.0° |
| C20 | C18 | H28 | 104.0° | 109.5° |
| C18 | C20 | C21 | 113.7° | 109.5° |
| C18 | C20 | H29 | 108.1° | 109.5° |
| C18 | C20 | H30 | 108.1° | 109.5° |
| O12 | C19 | N5 | 117.1° | 120.0° |
| C19 | N5 | H34 | 120.0° | 120.0° |
| C19 | N5 | H35 | 120.0° | 120.0° |
| C21 | C20 | H29 | 108.1° | 109.5° |
| C21 | C20 | H30 | 108.1° | 109.4° |
| C20 | C21 | O13 | 121.0° | 120.0° |
| C20 | C21 | N4 | 121.2° | 120.0° |
| H29 | C20 | H30 | 110.8° | 109.4° |
| O13 | C21 | N4 | 117.8° | 120.0° |
| C21 | N4 | H31 | 120.0° | 120.0° |
| C21 | N4 | H32 | 120.0° | 120.0° |
| H31 | N4 | H32 | 120.0° | 120.0° |
| H34 | N5 | H35 | 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° | 179.8° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.4° | 0.1° |
| C1 | C2 | C3 | O1 | 179.5° | 180.0° |
| C2 | C1 | C6 | C5 | 0.6° | 0.0° |
| C2 | C1 | C6 | C7 | 178.2° | 180.0° |
| C6 | C1 | C2 | C3 | 1.3° | 0.1° |
| C6 | C1 | C2 | H2 | 178.7° | 180.0° |
| C1 | C6 | C5 | C4 | 0.9° | 0.0° |
| C1 | C6 | C5 | C7 | 178.8° | 180.0° |
| C1 | C6 | C5 | H4 | 179.1° | 180.0° |
| C1 | C6 | C7 | C8 | 71.5° | 90.0° |
| C1 | C6 | C7 | H7 | 48.6° | 150.0° |
| C1 | C6 | C7 | H8 | 168.5° | 29.9° |
| H1 | C1 | C2 | C3 | 178.7° | 179.7° |
| H1 | C1 | C2 | H2 | 1.3° | 0.3° |
| H1 | C1 | C6 | C5 | 179.4° | 179.7° |
| H1 | C1 | C6 | C7 | 1.8° | 0.2° |
| C2 | C3 | C4 | O1 | 179.9° | 179.9° |
| C2 | C3 | C4 | C5 | 1.1° | 0.0° |
| C2 | C3 | C4 | H3 | 178.9° | 179.9° |
| C2 | C3 | O1 | P1 | 179.3° | 90.1° |
| H2 | C2 | C3 | C4 | 179.6° | 180.0° |
| H2 | C2 | C3 | O1 | 0.5° | 0.0° |
| C3 | C4 | C5 | H3 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 1.8° | 0.0° |
| C3 | C4 | C5 | H4 | 178.2° | 180.0° |
| C4 | C3 | O1 | P1 | 0.8° | 90.0° |
| O1 | C3 | C4 | C5 | 179.0° | 180.0° |
| O1 | C3 | C4 | H3 | 1.0° | 0.0° |
| C3 | O1 | P1 | O2 | 61.2° | 175.0° |
| C3 | O1 | P1 | O3 | 60.0° | 55.1° |
| C3 | O1 | P1 | O4 | 179.8° | 64.9° |
| C4 | C5 | C6 | H4 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 179.7° | 179.9° |
| H3 | C4 | C5 | C6 | 178.2° | 180.0° |
| H3 | C4 | C5 | H4 | 1.8° | 0.0° |
| C5 | C6 | C7 | C8 | 109.8° | 90.0° |
| C5 | C6 | C7 | H7 | 130.2° | 30.0° |
| C5 | C6 | C7 | H8 | 10.2° | 150.0° |
| H4 | C5 | C6 | C7 | 0.3° | 0.0° |
| C6 | C7 | C8 | H7 | 120.0° | 120.0° |
| C6 | C7 | C8 | H8 | 120.0° | 120.0° |
| C6 | C7 | H7 | H8 | 117.8° | 120.0° |
| C6 | C7 | C8 | C9 | 65.0° | 175.0° |
| C6 | C7 | C8 | C10 | 169.1° | 65.0° |
| C6 | C7 | C8 | H9 | 50.3° | 55.0° |
| O1 | P1 | O2 | O3 | 121.1° | 120.0° |
| O1 | P1 | O2 | O4 | 118.6° | 120.0° |
| O1 | P1 | O3 | O4 | 119.5° | 120.0° |
| O1 | P1 | O2 | H5 | 121.1° | 180.0° |
| O1 | P1 | O4 | H6 | 120.3° | 60.0° |
| O2 | P1 | O3 | O4 | 119.7° | 120.0° |
| O2 | P1 | O4 | H6 | 120.6° | 60.0° |
| O3 | P1 | O2 | H5 | 0.0° | 60.0° |
| O3 | P1 | O4 | H6 | 0.0° | 180.0° |
| O4 | P1 | O2 | H5 | 120.3° | 60.0° |
| C8 | C7 | H7 | H8 | 117.9° | 120.0° |
| C7 | C8 | C9 | C10 | 126.1° | 120.0° |
| C7 | C8 | C9 | H9 | 115.0° | 120.0° |
| C7 | C8 | C10 | H9 | 115.6° | 120.0° |
| C7 | C8 | C9 | O5 | 167.6° | 5.0° |
| C7 | C8 | C9 | N2 | 10.8° | 175.0° |
| C7 | C8 | C10 | C11 | 61.9° | 65.4° |
| C7 | C8 | C10 | H11 | 58.1° | 174.6° |
| C7 | C8 | C10 | H12 | 178.0° | 54.7° |
| H7 | C7 | C8 | C9 | 175.0° | 65.0° |
| H7 | C7 | C8 | C10 | 49.1° | 55.0° |
| H7 | C7 | C8 | H9 | 69.8° | 175.0° |
| H8 | C7 | C8 | C9 | 55.0° | 55.0° |
| H8 | C7 | C8 | C10 | 70.9° | 175.0° |
| H8 | C7 | C8 | H9 | 170.2° | 65.0° |
| C9 | C8 | C10 | H9 | 115.9° | 120.0° |
| C8 | C9 | O5 | N2 | 178.5° | 180.0° |
| C9 | C8 | C10 | C11 | 169.5° | 54.7° |
| C9 | C8 | C10 | H11 | 70.5° | 65.3° |
| C9 | C8 | C10 | H12 | 49.5° | 174.7° |
| C8 | C9 | N2 | C13 | 175.4° | 174.7° |
| C8 | C9 | N2 | H17 | 4.6° | 5.3° |
| C10 | C8 | C9 | O5 | 66.2° | 115.0° |
| C10 | C8 | C9 | N2 | 115.3° | 65.0° |
| C8 | C10 | C11 | H11 | 120.0° | 120.0° |
| C8 | C10 | C11 | H12 | 120.0° | 120.0° |
| C8 | C10 | H11 | H12 | 118.3° | 120.0° |
| C8 | C10 | C11 | N1 | 111.0° | 175.1° |
| C8 | C10 | C11 | O7 | 64.3° | 4.9° |
| H9 | C8 | C9 | O5 | 52.7° | 125.1° |
| H9 | C8 | C9 | N2 | 125.8° | 54.9° |
| H9 | C8 | C10 | C11 | 53.7° | 174.6° |
| H9 | C8 | C10 | H11 | 173.7° | 54.6° |
| H9 | C8 | C10 | H12 | 66.4° | 65.3° |
| O5 | C9 | N2 | C13 | 3.0° | 5.3° |
| O5 | C9 | N2 | H17 | 177.0° | 174.7° |
| C9 | N2 | C13 | H17 | 180.0° | 180.0° |
| C9 | N2 | C13 | C14 | 88.3° | 155.0° |
| C9 | N2 | C13 | C15 | 149.4° | 85.0° |
| C9 | N2 | C13 | H19 | 28.4° | 35.0° |
| C11 | C10 | H11 | H12 | 118.4° | 120.1° |
| C10 | C11 | N1 | O7 | 175.4° | 180.0° |
| C10 | C11 | N1 | C12 | 65.2° | 180.0° |
| C10 | C11 | N1 | H13 | 114.8° | 0.1° |
| H11 | C10 | C11 | N1 | 9.0° | 55.1° |
| H11 | C10 | C11 | O7 | 175.7° | 124.9° |
| H12 | C10 | C11 | N1 | 129.0° | 64.9° |
| H12 | C10 | C11 | O7 | 55.7° | 115.1° |
| C11 | N1 | C12 | H13 | 180.0° | 179.9° |
| C11 | N1 | C12 | H14 | 180.0° | 180.0° |
| C11 | N1 | C12 | H15 | 60.0° | 60.1° |
| C11 | N1 | C12 | H16 | 60.0° | 60.0° |
| O7 | C11 | N1 | C12 | 119.4° | 0.0° |
| O7 | C11 | N1 | H13 | 60.6° | 180.0° |
| N1 | C12 | H14 | H15 | 120.0° | 120.0° |
| N1 | C12 | H14 | H16 | 120.0° | 119.9° |
| N1 | C12 | H15 | H16 | 120.0° | 120.0° |
| H13 | N1 | C12 | H14 | 0.0° | 0.0° |
| H13 | N1 | C12 | H15 | 120.0° | 120.0° |
| H13 | N1 | C12 | H16 | 120.0° | 119.9° |
| H14 | C12 | H15 | H16 | 120.0° | 120.0° |
| N2 | C13 | C14 | C15 | 120.7° | 120.0° |
| N2 | C13 | C14 | H19 | 118.4° | 120.0° |
| N2 | C13 | C15 | H19 | 118.7° | 120.0° |
| N2 | C13 | C14 | O8 | 179.5° | 0.0° |
| N2 | C13 | C14 | N3 | 0.0° | 180.0° |
| N2 | C13 | C15 | C16 | 63.8° | 64.9° |
| N2 | C13 | C15 | H20 | 56.2° | 55.0° |
| N2 | C13 | C15 | H21 | 176.3° | 175.0° |
| H17 | N2 | C13 | C14 | 91.7° | 25.0° |
| H17 | N2 | C13 | C15 | 30.6° | 95.0° |
| H17 | N2 | C13 | H19 | 151.6° | 145.1° |
| C14 | C13 | C15 | H19 | 116.9° | 120.0° |
| C13 | C14 | O8 | N3 | 179.6° | 180.0° |
| C14 | C13 | C15 | C16 | 171.8° | 175.0° |
| C14 | C13 | C15 | H20 | 68.1° | 65.0° |
| C14 | C13 | C15 | H21 | 51.9° | 55.0° |
| C13 | C14 | N3 | C18 | 87.1° | 180.0° |
| C13 | C14 | N3 | H26 | 92.9° | 0.1° |
| C15 | C13 | C14 | O8 | 58.8° | 120.0° |
| C15 | C13 | C14 | N3 | 120.7° | 59.9° |
| C13 | C15 | C16 | H20 | 120.0° | 119.9° |
| C13 | C15 | C16 | H21 | 120.0° | 120.0° |
| C13 | C15 | H20 | H21 | 118.1° | 120.0° |
| C13 | C15 | C16 | C17 | 179.7° | 180.0° |
| C13 | C15 | C16 | H22 | 60.3° | 60.1° |
| C13 | C15 | C16 | H23 | 59.7° | 60.0° |
| H19 | C13 | C14 | O8 | 62.0° | 120.1° |
| H19 | C13 | C14 | N3 | 118.4° | 60.0° |
| H19 | C13 | C15 | C16 | 54.9° | 55.0° |
| H19 | C13 | C15 | H20 | 175.0° | 175.0° |
| H19 | C13 | C15 | H21 | 65.0° | 65.0° |
| O8 | C14 | N3 | C18 | 93.3° | 0.1° |
| O8 | C14 | N3 | H26 | 86.7° | 180.0° |
| C14 | N3 | C18 | H26 | 180.0° | 179.9° |
| C14 | N3 | C18 | C19 | 161.5° | 85.0° |
| C14 | N3 | C18 | C20 | 35.4° | 155.0° |
| C14 | N3 | C18 | H28 | 79.1° | 34.9° |
| C16 | C15 | H20 | H21 | 118.1° | 120.0° |
| C15 | C16 | C17 | H22 | 120.0° | 120.0° |
| C15 | C16 | C17 | H23 | 120.0° | 120.0° |
| C15 | C16 | H22 | H23 | 119.0° | 120.1° |
| C15 | C16 | C17 | O9 | 69.7° | 0.1° |
| C15 | C16 | C17 | O10 | 109.7° | 180.0° |
| H20 | C15 | C16 | C17 | 59.7° | 60.0° |
| H20 | C15 | C16 | H22 | 179.7° | 180.0° |
| H20 | C15 | C16 | H23 | 60.3° | 60.0° |
| H21 | C15 | C16 | C17 | 60.3° | 60.0° |
| H21 | C15 | C16 | H22 | 59.6° | 59.9° |
| H21 | C15 | C16 | H23 | 179.7° | 180.0° |
| C17 | C16 | H22 | H23 | 118.9° | 120.0° |
| C16 | C17 | O9 | O10 | 179.4° | 179.9° |
| C16 | C17 | O10 | H24 | 179.4° | 180.0° |
| H22 | C16 | C17 | O9 | 170.3° | 120.0° |
| H22 | C16 | C17 | O10 | 10.3° | 60.0° |
| H23 | C16 | C17 | O9 | 50.3° | 119.9° |
| H23 | C16 | C17 | O10 | 130.3° | 60.0° |
| O9 | C17 | O10 | H24 | 0.0° | 0.0° |
| N3 | C18 | C19 | C20 | 128.3° | 120.0° |
| N3 | C18 | C19 | H28 | 116.6° | 120.0° |
| N3 | C18 | C20 | H28 | 115.8° | 120.1° |
| N3 | C18 | C19 | O12 | 130.0° | 0.0° |
| N3 | C18 | C19 | N5 | 51.0° | 180.0° |
| N3 | C18 | C20 | C21 | 169.2° | 65.0° |
| N3 | C18 | C20 | H29 | 49.2° | 55.0° |
| N3 | C18 | C20 | H30 | 70.8° | 175.0° |
| H26 | N3 | C18 | C19 | 18.5° | 95.1° |
| H26 | N3 | C18 | C20 | 144.5° | 24.9° |
| H26 | N3 | C18 | H28 | 100.9° | 145.0° |
| C19 | C18 | C20 | H28 | 119.2° | 120.0° |
| C18 | C19 | O12 | N5 | 179.0° | 180.0° |
| C19 | C18 | C20 | C21 | 65.8° | 175.0° |
| C19 | C18 | C20 | H29 | 174.2° | 65.0° |
| C19 | C18 | C20 | H30 | 54.2° | 55.0° |
| C18 | C19 | N5 | H34 | 179.0° | 0.1° |
| C18 | C19 | N5 | H35 | 1.0° | 179.9° |
| C20 | C18 | C19 | O12 | 101.7° | 120.0° |
| C20 | C18 | C19 | N5 | 77.3° | 60.0° |
| C18 | C20 | C21 | H29 | 120.0° | 120.0° |
| C18 | C20 | C21 | H30 | 120.0° | 120.0° |
| C18 | C20 | H29 | H30 | 118.3° | 120.0° |
| C18 | C20 | C21 | O13 | 117.4° | 0.0° |
| C18 | C20 | C21 | N4 | 62.9° | 180.0° |
| H28 | C18 | C19 | O12 | 13.4° | 120.0° |
| H28 | C18 | C19 | N5 | 167.6° | 60.0° |
| H28 | C18 | C20 | C21 | 53.4° | 55.0° |
| H28 | C18 | C20 | H29 | 66.6° | 175.0° |
| H28 | C18 | C20 | H30 | 173.4° | 65.0° |
| O12 | C19 | N5 | H34 | 0.0° | 180.0° |
| O12 | C19 | N5 | H35 | 180.0° | 0.1° |
| C19 | N5 | H34 | H35 | 180.0° | 179.9° |
| C21 | C20 | H29 | H30 | 118.2° | 119.9° |
| C20 | C21 | O13 | N4 | 179.8° | 180.0° |
| C20 | C21 | N4 | H31 | 179.8° | 0.0° |
| C20 | C21 | N4 | H32 | 0.2° | 179.9° |
| H29 | C20 | C21 | O13 | 122.6° | 120.0° |
| H29 | C20 | C21 | N4 | 57.2° | 60.0° |
| H30 | C20 | C21 | O13 | 2.6° | 120.0° |
| H30 | C20 | C21 | N4 | 177.2° | 60.0° |
| O13 | C21 | N4 | H31 | 0.0° | 180.0° |
| O13 | C21 | N4 | H32 | 180.0° | 0.0° |
| C21 | N4 | H31 | H32 | 179.9° | 179.9° |
