PRD_000314
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 0.00Å | |
| C1 | C2 | sing | 1.51Å | 0.00Å | |
| C2 | C3 | sing | 1.53Å | 0.00Å | |
| C2 | H1 | sing | 1.09Å | 0.00Å | |
| C2 | H2 | sing | 1.09Å | 0.00Å | |
| C3 | C4 | sing | 1.51Å | 0.00Å | |
| C3 | H3 | sing | 1.09Å | 0.00Å | |
| C3 | H4 | sing | 1.09Å | 0.00Å | |
| C4 | O2 | doub | 1.21Å | 0.00Å | |
| C4 | O3 | sing | 1.34Å | 0.00Å | |
| O3 | C5 | sing | 1.45Å | 0.00Å | |
| C5 | H5 | sing | 1.09Å | 0.00Å | |
| C5 | H6 | sing | 1.09Å | 0.00Å | |
| C5 | H7 | sing | 1.09Å | 0.00Å | |
| N1 | C6 | sing | 1.46Å | 1.46Å | |
| N1 | H8 | sing | 0.97Å | 1.00Å | |
| C6 | C7 | sing | 1.51Å | 1.53Å | |
| C6 | C8 | sing | 1.53Å | 1.54Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | O4 | doub | 1.21Å | 1.23Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| N2 | C9 | sing | 1.47Å | 1.46Å | |
| N2 | H13 | sing | 0.97Å | 1.00Å | |
| C9 | C10 | sing | 1.51Å | 1.53Å | |
| C9 | C11 | sing | 1.53Å | 1.51Å | |
| 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 | 1.46Å | |
| N3 | C16 | sing | 1.47Å | 1.47Å | |
| C12 | C13 | sing | 1.51Å | 1.53Å | |
| C12 | C14 | sing | 1.54Å | 1.51Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | O6 | doub | 1.21Å | 1.24Å | |
| C14 | C15 | sing | 1.55Å | 1.51Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | C16 | sing | 1.55Å | 1.54Å | |
| 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 | |
| N4 | C17 | sing | 1.47Å | 1.43Å | |
| N4 | H25 | sing | 0.97Å | 1.00Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C17 | B1 | sing | 1.57Å | 1.57Å | |
| C17 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C18 | H28 | sing | 1.09Å | 1.10Å | |
| C18 | H29 | sing | 1.09Å | 1.10Å | |
| B1 | O7 | sing | 1.42Å | 1.45Å | |
| B1 | O8 | sing | 1.42Å | 1.43Å | |
| O7 | H30 | sing | 0.97Å | 0.95Å | |
| O8 | H31 | sing | 0.97Å | 0.95Å | |
| C1 | N1 | sing | 1.35Å | 48.00Å | |
| C13 | N4 | sing | 1.35Å | 1.33Å | |
| C7 | N2 | sing | 1.35Å | 1.32Å | |
| C10 | N3 | sing | 1.35Å | 1.34Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 90.0° | 120.0° |
| O1 | C1 | N1 | 90.0° | 120.0° |
| C1 | C2 | C3 | 90.0° | 109.4° |
| C1 | C2 | H1 | 90.0° | 109.5° |
| C1 | C2 | H2 | 90.0° | 109.5° |
| C2 | C1 | N1 | 90.0° | 120.0° |
| C3 | C2 | H1 | 90.0° | 109.5° |
| C3 | C2 | H2 | 90.0° | 109.5° |
| C2 | C3 | C4 | 90.0° | 109.4° |
| C2 | C3 | H3 | 90.0° | 109.5° |
| C2 | C3 | H4 | 90.0° | 109.5° |
| H1 | C2 | H2 | 90.0° | 109.5° |
| C4 | C3 | H3 | 90.0° | 109.5° |
| C4 | C3 | H4 | 90.0° | 109.4° |
| C3 | C4 | O2 | 90.0° | 120.0° |
| C3 | C4 | O3 | 90.0° | 120.0° |
| H3 | C3 | H4 | 90.0° | 109.5° |
| O2 | C4 | O3 | 90.0° | 120.0° |
| C4 | O3 | C5 | 90.0° | 117.0° |
| O3 | C5 | H5 | 90.0° | 109.4° |
| O3 | C5 | H6 | 90.0° | 109.5° |
| O3 | C5 | H7 | 90.0° | 109.5° |
| H5 | C5 | H6 | 90.0° | 109.5° |
| H5 | C5 | H7 | 90.0° | 109.5° |
| H6 | C5 | H7 | 90.0° | 109.5° |
| C6 | N1 | H8 | 161.4° | 120.1° |
| N1 | C6 | C7 | 107.0° | 109.5° |
| N1 | C6 | C8 | 112.6° | 109.5° |
| N1 | C6 | H9 | 110.6° | 109.5° |
| C6 | N1 | C1 | 37.2° | 120.0° |
| H8 | N1 | C1 | 161.4° | 120.0° |
| C7 | C6 | C8 | 107.6° | 109.4° |
| C7 | C6 | H9 | 109.6° | 109.5° |
| C6 | C7 | O4 | 118.9° | 120.0° |
| C6 | C7 | N2 | 119.8° | 120.0° |
| C8 | C6 | H9 | 109.4° | 109.4° |
| C6 | C8 | H10 | 109.5° | 109.4° |
| C6 | C8 | H11 | 109.4° | 109.5° |
| C6 | C8 | H12 | 109.5° | 109.5° |
| O4 | C7 | N2 | 121.2° | 120.0° |
| H10 | C8 | H11 | 109.5° | 109.5° |
| H10 | C8 | H12 | 109.4° | 109.5° |
| H11 | C8 | H12 | 109.5° | 109.4° |
| C9 | N2 | H13 | 119.0° | 120.0° |
| N2 | C9 | C10 | 105.5° | 109.5° |
| N2 | C9 | C11 | 109.7° | 109.4° |
| N2 | C9 | H14 | 111.3° | 109.4° |
| C9 | N2 | C7 | 121.9° | 120.0° |
| H13 | N2 | C7 | 119.1° | 120.0° |
| C10 | C9 | C11 | 109.3° | 109.5° |
| C10 | C9 | H14 | 110.3° | 109.5° |
| C9 | C10 | O5 | 116.7° | 120.0° |
| C9 | C10 | N3 | 122.9° | 120.0° |
| C11 | C9 | H14 | 110.6° | 109.5° |
| C9 | C11 | H15 | 109.5° | 109.5° |
| C9 | C11 | H16 | 109.4° | 109.5° |
| C9 | C11 | H17 | 109.5° | 109.5° |
| O5 | C10 | N3 | 120.3° | 120.1° |
| H15 | C11 | H16 | 109.5° | 109.5° |
| H15 | C11 | H17 | 109.4° | 109.4° |
| H16 | C11 | H17 | 109.5° | 109.5° |
| C12 | N3 | C16 | 109.2° | 108.7° |
| N3 | C12 | C13 | 111.7° | 109.9° |
| N3 | C12 | C14 | 105.4° | 107.3° |
| N3 | C12 | H18 | 110.3° | 109.9° |
| C12 | N3 | C10 | 124.1° | 125.6° |
| N3 | C16 | C15 | 102.9° | 104.7° |
| N3 | C16 | H23 | 111.1° | 110.4° |
| N3 | C16 | H24 | 111.1° | 110.4° |
| C16 | N3 | C10 | 126.1° | 125.7° |
| C13 | C12 | C14 | 110.4° | 109.9° |
| C13 | C12 | H18 | 109.4° | 109.9° |
| C12 | C13 | O6 | 120.8° | 120.0° |
| C12 | C13 | N4 | 116.8° | 120.0° |
| C14 | C12 | H18 | 109.6° | 110.0° |
| C12 | C14 | C15 | 105.6° | 102.9° |
| C12 | C14 | H19 | 110.4° | 110.7° |
| C12 | C14 | H20 | 110.4° | 110.7° |
| O6 | C13 | N4 | 122.1° | 119.9° |
| C15 | C14 | H19 | 110.4° | 110.7° |
| C15 | C14 | H20 | 110.4° | 110.7° |
| C14 | C15 | C16 | 100.8° | 101.5° |
| C14 | C15 | H21 | 111.6° | 111.0° |
| C14 | C15 | H22 | 111.6° | 111.0° |
| H19 | C14 | H20 | 109.5° | 110.8° |
| C16 | C15 | H21 | 111.6° | 111.2° |
| C16 | C15 | H22 | 111.6° | 110.9° |
| C15 | C16 | H23 | 111.1° | 110.5° |
| C15 | C16 | H24 | 111.1° | 110.4° |
| H21 | C15 | H22 | 109.4° | 110.9° |
| H23 | C16 | H24 | 109.5° | 110.4° |
| C17 | N4 | H25 | 120.0° | 120.0° |
| N4 | C17 | C18 | 98.1° | 109.5° |
| N4 | C17 | B1 | 107.4° | 109.5° |
| N4 | C17 | H26 | 109.6° | 109.5° |
| C17 | N4 | C13 | 120.0° | 120.0° |
| H25 | N4 | C13 | 120.0° | 120.0° |
| C18 | C17 | B1 | 124.8° | 109.5° |
| C18 | C17 | H26 | 108.3° | 109.4° |
| C17 | C18 | H27 | 109.5° | 109.5° |
| C17 | C18 | H28 | 109.5° | 109.5° |
| C17 | C18 | H29 | 109.5° | 109.5° |
| B1 | C17 | H26 | 107.8° | 109.5° |
| C17 | B1 | O7 | 104.6° | 120.0° |
| C17 | B1 | O8 | 102.0° | 120.0° |
| H27 | C18 | H28 | 109.5° | 109.5° |
| H27 | C18 | H29 | 109.5° | 109.4° |
| H28 | C18 | H29 | 109.5° | 109.5° |
| O7 | B1 | O8 | 105.3° | 120.0° |
| B1 | O7 | H30 | 109.5° | 114.0° |
| B1 | O8 | H31 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 90.0° | 179.8° |
| O1 | C1 | C2 | C3 | 90.0° | 0.0° |
| O1 | C1 | C2 | H1 | 90.0° | 120.0° |
| O1 | C1 | C2 | H2 | 90.0° | 120.0° |
| O1 | C1 | N1 | C6 | 90.0° | 0.1° |
| O1 | C1 | N1 | H8 | 90.0° | 180.0° |
| C1 | C2 | C3 | H1 | 90.0° | 120.0° |
| C1 | C2 | C3 | H2 | 90.0° | 120.0° |
| C1 | C2 | H1 | H2 | 90.0° | 120.0° |
| C1 | C2 | C3 | C4 | 90.0° | NaN° |
| C1 | C2 | C3 | H3 | 90.0° | 60.0° |
| C1 | C2 | C3 | H4 | 90.0° | 60.0° |
| C2 | C1 | N1 | C6 | 90.0° | 179.7° |
| C2 | C1 | N1 | H8 | 90.0° | 0.2° |
| C3 | C2 | H1 | H2 | 90.0° | 120.0° |
| C2 | C3 | C4 | H3 | 90.0° | 120.0° |
| C2 | C3 | C4 | H4 | 90.0° | 120.0° |
| C2 | C3 | H3 | H4 | 90.0° | 120.1° |
| C2 | C3 | C4 | O2 | 90.0° | 0.0° |
| C2 | C3 | C4 | O3 | 90.0° | 180.0° |
| C3 | C2 | C1 | N1 | 90.0° | 179.7° |
| H1 | C2 | C3 | C4 | 90.0° | 60.0° |
| H1 | C2 | C3 | H3 | 90.0° | 180.0° |
| H1 | C2 | C3 | H4 | 90.0° | 59.9° |
| H1 | C2 | C1 | N1 | 90.0° | 59.8° |
| H2 | C2 | C3 | C4 | 90.0° | 60.0° |
| H2 | C2 | C3 | H3 | 90.0° | 60.0° |
| H2 | C2 | C3 | H4 | 90.0° | 180.0° |
| H2 | C2 | C1 | N1 | 90.0° | 60.3° |
| C4 | C3 | H3 | H4 | 90.0° | 120.0° |
| C3 | C4 | O2 | O3 | 90.0° | 180.0° |
| C3 | C4 | O3 | C5 | 90.0° | 180.0° |
| H3 | C3 | C4 | O2 | 90.0° | 120.0° |
| H3 | C3 | C4 | O3 | 90.0° | 60.0° |
| H4 | C3 | C4 | O2 | 90.0° | 120.0° |
| H4 | C3 | C4 | O3 | 90.0° | 60.0° |
| O2 | C4 | O3 | C5 | 90.0° | 0.0° |
| C4 | O3 | C5 | H5 | 90.0° | 60.0° |
| C4 | O3 | C5 | H6 | 90.0° | 60.0° |
| C4 | O3 | C5 | H7 | 90.0° | 179.9° |
| O3 | C5 | H5 | H6 | 90.0° | 120.0° |
| O3 | C5 | H5 | H7 | 90.0° | 120.0° |
| O3 | C5 | H6 | H7 | 90.0° | 120.0° |
| H5 | C5 | H6 | H7 | 90.0° | 120.1° |
| C6 | N1 | H8 | C1 | 179.8° | 179.9° |
| N1 | C6 | C7 | C8 | 121.2° | 120.0° |
| N1 | C6 | C7 | H9 | 119.9° | 120.1° |
| N1 | C6 | C8 | H9 | 123.4° | 120.1° |
| N1 | C6 | C7 | O4 | 31.0° | 0.1° |
| N1 | C6 | C8 | H10 | 180.0° | 60.0° |
| N1 | C6 | C8 | H11 | 60.0° | 60.0° |
| N1 | C6 | C8 | H12 | 60.0° | 180.0° |
| N1 | C6 | C7 | N2 | 146.8° | 180.0° |
| H8 | N1 | C6 | C7 | 143.4° | 24.9° |
| H8 | N1 | C6 | C8 | 25.4° | 95.0° |
| H8 | N1 | C6 | H9 | 97.4° | 145.0° |
| C7 | C6 | C8 | H9 | 119.0° | 120.0° |
| C6 | C7 | O4 | N2 | 177.7° | 179.9° |
| C7 | C6 | C8 | H10 | 62.3° | 180.0° |
| C7 | C6 | C8 | H11 | 177.6° | 60.0° |
| C7 | C6 | C8 | H12 | 57.6° | 60.0° |
| C6 | C7 | N2 | C9 | 179.9° | 180.0° |
| C6 | C7 | N2 | H13 | 0.1° | 0.0° |
| C7 | C6 | N1 | C1 | 36.7° | 155.0° |
| C8 | C6 | C7 | O4 | 90.3° | 120.1° |
| C6 | C8 | H10 | H11 | 120.0° | 120.0° |
| C6 | C8 | H10 | H12 | 120.0° | 120.0° |
| C6 | C8 | H11 | H12 | 120.0° | 120.0° |
| C8 | C6 | N1 | C1 | 154.7° | 85.0° |
| C8 | C6 | C7 | N2 | 92.0° | 60.0° |
| H9 | C6 | C7 | O4 | 150.9° | 120.0° |
| H9 | C6 | C8 | H10 | 56.6° | 60.1° |
| H9 | C6 | C8 | H11 | 63.4° | 180.0° |
| H9 | C6 | C8 | H12 | 176.6° | 60.0° |
| H9 | C6 | N1 | C1 | 82.5° | 35.0° |
| H9 | C6 | C7 | N2 | 26.9° | 59.9° |
| O4 | C7 | N2 | C9 | 2.2° | 0.0° |
| O4 | C7 | N2 | H13 | 177.8° | 180.0° |
| H10 | C8 | H11 | H12 | 120.0° | 120.0° |
| C9 | N2 | H13 | C7 | 180.0° | 180.0° |
| N2 | C9 | C10 | C11 | 117.9° | 120.0° |
| N2 | C9 | C10 | H14 | 120.4° | 120.0° |
| N2 | C9 | C11 | H14 | 123.1° | 119.9° |
| N2 | C9 | C10 | O5 | 19.7° | 25.4° |
| N2 | C9 | C11 | H15 | 180.0° | 55.0° |
| N2 | C9 | C11 | H16 | 60.0° | 65.0° |
| N2 | C9 | C11 | H17 | 60.0° | 175.0° |
| N2 | C9 | C10 | N3 | 157.6° | 154.7° |
| H13 | N2 | C9 | C10 | 47.3° | 25.0° |
| H13 | N2 | C9 | C11 | 70.4° | 95.0° |
| H13 | N2 | C9 | H14 | 166.9° | 145.0° |
| C10 | C9 | C11 | H14 | 121.6° | 120.0° |
| C9 | C10 | O5 | N3 | 177.3° | 180.0° |
| C10 | C9 | C11 | H15 | 64.7° | 175.0° |
| C10 | C9 | C11 | H16 | 175.2° | 55.0° |
| C10 | C9 | C11 | H17 | 55.2° | 65.0° |
| C9 | C10 | N3 | C12 | 178.1° | 175.4° |
| C9 | C10 | N3 | C16 | 8.7° | 4.3° |
| C10 | C9 | N2 | C7 | 132.7° | 155.0° |
| C11 | C9 | C10 | O5 | 98.2° | 94.6° |
| C9 | C11 | H15 | H16 | 120.0° | 120.1° |
| C9 | C11 | H15 | H17 | 120.0° | 120.0° |
| C9 | C11 | H16 | H17 | 120.0° | 120.0° |
| C11 | C9 | N2 | C7 | 109.6° | 85.0° |
| C11 | C9 | C10 | N3 | 84.6° | 85.3° |
| H14 | C9 | C10 | O5 | 140.1° | 145.3° |
| H14 | C9 | C11 | H15 | 56.9° | 64.9° |
| H14 | C9 | C11 | H16 | 63.2° | 175.0° |
| H14 | C9 | C11 | H17 | 176.8° | 55.0° |
| H14 | C9 | N2 | C7 | 13.1° | 35.0° |
| H14 | C9 | C10 | N3 | 37.2° | 34.7° |
| O5 | C10 | N3 | C12 | 4.7° | 4.7° |
| O5 | C10 | N3 | C16 | 174.1° | 175.7° |
| H15 | C11 | H16 | H17 | 120.0° | 119.9° |
| C12 | N3 | C16 | C10 | 170.7° | 179.7° |
| N3 | C12 | C13 | C14 | 116.9° | 117.8° |
| N3 | C12 | C13 | H18 | 122.4° | 121.0° |
| N3 | C12 | C14 | H18 | 118.7° | 119.5° |
| N3 | C12 | C13 | O6 | 33.4° | 0.0° |
| N3 | C12 | C14 | C15 | 19.9° | 22.2° |
| N3 | C12 | C14 | H19 | 99.5° | 140.6° |
| N3 | C12 | C14 | H20 | 139.3° | 96.2° |
| C12 | N3 | C16 | C15 | 28.4° | 24.4° |
| C12 | N3 | C16 | H23 | 147.3° | 94.5° |
| C12 | N3 | C16 | H24 | 90.6° | 143.2° |
| N3 | C12 | C13 | N4 | 152.4° | 180.0° |
| C16 | N3 | C12 | C13 | 114.1° | 120.7° |
| C16 | N3 | C12 | C14 | 5.8° | 1.3° |
| C16 | N3 | C12 | H18 | 124.0° | 118.3° |
| N3 | C16 | C15 | C14 | 39.1° | 37.3° |
| N3 | C16 | C15 | H23 | 118.9° | 118.8° |
| N3 | C16 | C15 | H24 | 118.9° | 118.8° |
| N3 | C16 | C15 | H21 | 157.7° | 80.8° |
| N3 | C16 | C15 | H22 | 79.5° | 155.3° |
| N3 | C16 | H23 | H24 | 123.1° | 122.3° |
| C13 | C12 | C14 | H18 | 120.5° | 121.1° |
| C12 | C13 | O6 | N4 | 173.9° | 180.0° |
| C13 | C12 | C14 | C15 | 140.7° | 97.3° |
| C13 | C12 | C14 | H19 | 21.3° | 21.1° |
| C13 | C12 | C14 | H20 | 99.9° | 144.4° |
| C12 | C13 | N4 | C17 | 171.6° | 180.0° |
| C12 | C13 | N4 | H25 | 8.4° | 0.0° |
| C13 | C12 | N3 | C10 | 56.8° | 59.6° |
| C14 | C12 | C13 | O6 | 83.5° | 117.8° |
| C12 | C14 | C15 | H19 | 119.4° | 118.4° |
| C12 | C14 | C15 | H20 | 119.4° | 118.3° |
| C12 | C14 | H19 | H20 | 121.8° | 123.2° |
| C12 | C14 | C15 | C16 | 36.2° | 35.6° |
| C12 | C14 | C15 | H21 | 154.8° | 82.6° |
| C12 | C14 | C15 | H22 | 82.4° | 153.6° |
| C14 | C12 | C13 | N4 | 90.7° | 62.2° |
| C14 | C12 | N3 | C10 | 176.7° | 179.0° |
| H18 | C12 | C13 | O6 | 155.8° | 121.0° |
| H18 | C12 | C14 | C15 | 98.7° | 141.7° |
| H18 | C12 | C14 | H19 | 141.9° | 100.0° |
| H18 | C12 | C14 | H20 | 20.7° | 23.3° |
| H18 | C12 | C13 | N4 | 30.0° | 59.0° |
| H18 | C12 | N3 | C10 | 65.0° | 61.5° |
| O6 | C13 | N4 | C17 | 2.5° | 0.0° |
| O6 | C13 | N4 | H25 | 177.5° | 180.0° |
| C15 | C14 | H19 | H20 | 121.8° | 123.2° |
| C14 | C15 | C16 | H21 | 118.6° | 118.1° |
| C14 | C15 | C16 | H22 | 118.6° | 118.0° |
| C14 | C15 | H21 | H22 | 124.1° | 123.9° |
| C14 | C15 | C16 | H23 | 158.0° | 81.6° |
| C14 | C15 | C16 | H24 | 79.9° | 156.1° |
| H19 | C14 | C15 | C16 | 83.2° | 154.0° |
| H19 | C14 | C15 | H21 | 35.4° | 35.8° |
| H19 | C14 | C15 | H22 | 158.2° | 88.0° |
| H20 | C14 | C15 | C16 | 155.6° | 82.7° |
| H20 | C14 | C15 | H21 | 85.8° | 159.1° |
| H20 | C14 | C15 | H22 | 37.1° | 35.3° |
| C16 | C15 | H21 | H22 | 124.0° | 123.9° |
| C15 | C16 | H23 | H24 | 123.1° | 122.4° |
| C15 | C16 | N3 | C10 | 160.9° | 155.9° |
| H21 | C15 | C16 | H23 | 83.4° | 160.3° |
| H21 | C15 | C16 | H24 | 38.7° | 38.0° |
| H22 | C15 | C16 | H23 | 39.4° | 36.5° |
| H22 | C15 | C16 | H24 | 161.5° | 85.9° |
| H23 | C16 | N3 | C10 | 41.9° | 85.2° |
| H24 | C16 | N3 | C10 | 80.2° | 37.0° |
| C17 | N4 | H25 | C13 | 180.0° | 180.0° |
| N4 | C17 | C18 | B1 | 117.8° | 120.0° |
| N4 | C17 | C18 | H26 | 113.8° | 120.0° |
| N4 | C17 | B1 | H26 | 118.0° | 120.0° |
| N4 | C17 | C18 | H27 | 180.0° | 180.0° |
| N4 | C17 | C18 | H28 | 60.0° | 60.0° |
| N4 | C17 | C18 | H29 | 60.0° | 60.0° |
| N4 | C17 | B1 | O7 | 174.2° | 0.0° |
| N4 | C17 | B1 | O8 | 76.3° | 180.0° |
| H25 | N4 | C17 | C18 | 82.4° | 45.0° |
| H25 | N4 | C17 | B1 | 48.1° | 75.0° |
| H25 | N4 | C17 | H26 | 164.8° | 165.0° |
| C18 | C17 | B1 | H26 | 128.6° | 120.0° |
| C17 | C18 | H27 | H28 | 120.0° | 120.0° |
| C17 | C18 | H27 | H29 | 120.0° | 120.0° |
| C17 | C18 | H28 | H29 | 120.0° | 120.0° |
| C18 | C17 | B1 | O7 | 60.7° | 120.0° |
| C18 | C17 | B1 | O8 | 170.3° | 60.0° |
| C18 | C17 | N4 | C13 | 97.6° | 135.0° |
| B1 | C17 | C18 | H27 | 62.2° | 60.0° |
| B1 | C17 | C18 | H28 | 177.8° | 180.0° |
| B1 | C17 | C18 | H29 | 57.8° | 60.0° |
| C17 | B1 | O7 | O8 | 107.1° | 179.9° |
| C17 | B1 | O7 | H30 | 180.0° | 180.0° |
| C17 | B1 | O8 | H31 | 180.0° | 180.0° |
| B1 | C17 | N4 | C13 | 132.0° | 105.0° |
| H26 | C17 | C18 | H27 | 66.2° | 60.0° |
| H26 | C17 | C18 | H28 | 53.8° | 60.0° |
| H26 | C17 | C18 | H29 | 173.8° | 180.0° |
| H26 | C17 | B1 | O7 | 67.9° | 120.0° |
| H26 | C17 | B1 | O8 | 41.7° | 59.9° |
| H26 | C17 | N4 | C13 | 15.2° | 15.0° |
| H27 | C18 | H28 | H29 | 120.0° | 119.9° |
| O7 | B1 | O8 | H31 | 71.0° | 0.0° |
| O8 | B1 | O7 | H30 | 72.9° | 0.0° |
