PRD_000411
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.24Å | |
| C1 | C2 | sing | 1.51Å | 1.49Å | |
| 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 | 1.45Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | C4 | sing | 1.51Å | 1.52Å | |
| C3 | C5 | sing | 1.53Å | 1.53Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | O2 | doub | 1.21Å | 1.23Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| N2 | C6 | sing | 1.46Å | 1.46Å | |
| N2 | H9 | sing | 0.97Å | 1.00Å | |
| C6 | C7 | sing | 1.51Å | 1.53Å | |
| C6 | C8 | sing | 1.53Å | 1.54Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | O3 | doub | 1.21Å | 1.22Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | N3 | sing | 1.47Å | 1.49Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| N3 | H19 | sing | 1.01Å | 1.00Å | |
| N3 | H20 | sing | 1.01Å | 1.00Å | |
| N3 | H21 | sing | 1.01Å | 1.00Å | |
| O4 | B1 | sing | 1.42Å | 1.46Å | |
| O4 | H22 | sing | 0.97Å | 0.95Å | |
| B1 | O5 | sing | 1.42Å | 1.46Å | |
| B1 | C12 | sing | 1.57Å | 1.70Å | |
| O5 | H23 | sing | 0.97Å | 0.95Å | |
| C12 | N4 | sing | 1.46Å | 1.46Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C12 | H24 | sing | 1.09Å | 1.10Å | |
| N4 | H25 | sing | 0.97Å | 1.00Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C13 | H26 | sing | 1.09Å | 1.10Å | |
| C13 | H27 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C14 | H28 | sing | 1.09Å | 1.10Å | |
| C14 | H29 | sing | 1.09Å | 1.10Å | |
| C15 | N5 | sing | 1.47Å | 1.47Å | |
| C15 | H30 | sing | 1.09Å | 1.10Å | |
| C15 | H31 | sing | 1.09Å | 1.10Å | |
| N5 | C16 | sing | 1.37Å | 1.33Å | |
| N5 | H32 | sing | 0.97Å | 1.00Å | |
| C16 | N6 | doub | 1.30Å | 1.33Å | |
| C16 | N7 | sing | 1.37Å | 1.33Å | |
| N6 | H33 | sing | 0.97Å | 1.00Å | |
| N7 | H34 | sing | 0.97Å | 1.00Å | |
| N7 | H35 | sing | 0.97Å | 1.00Å | |
| C1 | N1 | sing | 1.35Å | 1.33Å | |
| C7 | N4 | sing | 1.35Å | 1.33Å | |
| C4 | N2 | sing | 1.35Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 121.8° | 120.0° |
| O1 | C1 | N1 | 121.5° | 120.0° |
| C1 | C2 | H1 | 109.5° | 109.5° |
| C1 | C2 | H2 | 109.5° | 109.5° |
| C1 | C2 | H3 | 109.5° | 109.5° |
| C2 | C1 | N1 | 115.8° | 120.0° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H1 | C2 | H3 | 109.4° | 109.5° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| C3 | N1 | H4 | 108.1° | 120.0° |
| N1 | C3 | C4 | 109.1° | 109.5° |
| N1 | C3 | C5 | 110.2° | 109.5° |
| N1 | C3 | H5 | 109.6° | 109.5° |
| C3 | N1 | C1 | 143.7° | 120.0° |
| H4 | N1 | C1 | 108.2° | 120.0° |
| C4 | C3 | C5 | 110.5° | 109.4° |
| C4 | C3 | H5 | 108.8° | 109.5° |
| C3 | C4 | O2 | 120.7° | 120.0° |
| C3 | C4 | N2 | 115.6° | 120.0° |
| C5 | C3 | H5 | 108.6° | 109.5° |
| C3 | C5 | H6 | 109.5° | 109.5° |
| C3 | C5 | H7 | 109.5° | 109.5° |
| C3 | C5 | H8 | 109.5° | 109.4° |
| O2 | C4 | N2 | 123.6° | 120.0° |
| H6 | C5 | H7 | 109.5° | 109.5° |
| H6 | C5 | H8 | 109.4° | 109.5° |
| H7 | C5 | H8 | 109.4° | 109.4° |
| C6 | N2 | H9 | 118.8° | 120.0° |
| N2 | C6 | C7 | 113.5° | 109.5° |
| N2 | C6 | C8 | 109.6° | 109.5° |
| N2 | C6 | H10 | 109.0° | 109.4° |
| C6 | N2 | C4 | 122.4° | 120.0° |
| H9 | N2 | C4 | 118.8° | 120.0° |
| C7 | C6 | C8 | 108.3° | 109.5° |
| C7 | C6 | H10 | 108.2° | 109.5° |
| C6 | C7 | O3 | 120.3° | 120.0° |
| C6 | C7 | N4 | 116.8° | 120.0° |
| C8 | C6 | H10 | 108.2° | 109.5° |
| C6 | C8 | C9 | 114.4° | 109.5° |
| C6 | C8 | H11 | 108.2° | 109.4° |
| C6 | C8 | H12 | 108.2° | 109.5° |
| O3 | C7 | N4 | 122.9° | 120.0° |
| C9 | C8 | H11 | 108.2° | 109.5° |
| C9 | C8 | H12 | 108.2° | 109.5° |
| C8 | C9 | C10 | 112.7° | 109.5° |
| C8 | C9 | H13 | 108.7° | 109.5° |
| C8 | C9 | H14 | 108.7° | 109.5° |
| H11 | C8 | H12 | 109.5° | 109.5° |
| C10 | C9 | H13 | 108.7° | 109.4° |
| C10 | C9 | H14 | 108.7° | 109.5° |
| C9 | C10 | C11 | 110.5° | 109.5° |
| C9 | C10 | H15 | 109.2° | 109.4° |
| C9 | C10 | H16 | 109.2° | 109.5° |
| H13 | C9 | H14 | 109.4° | 109.4° |
| C11 | C10 | H15 | 109.2° | 109.5° |
| C11 | C10 | H16 | 109.2° | 109.5° |
| C10 | C11 | N3 | 112.1° | 109.5° |
| C10 | C11 | H17 | 108.8° | 109.4° |
| C10 | C11 | H18 | 108.8° | 109.5° |
| H15 | C10 | H16 | 109.5° | 109.5° |
| N3 | C11 | H17 | 108.8° | 109.5° |
| N3 | C11 | H18 | 108.8° | 109.5° |
| C11 | N3 | H19 | 109.5° | 109.5° |
| C11 | N3 | H20 | 109.5° | 109.5° |
| C11 | N3 | H21 | 109.5° | 109.4° |
| H17 | C11 | H18 | 109.4° | 109.5° |
| H19 | N3 | H20 | 109.4° | 109.5° |
| H19 | N3 | H21 | 109.5° | 109.5° |
| H20 | N3 | H21 | 109.4° | 109.4° |
| B1 | O4 | H22 | 109.5° | 114.0° |
| O4 | B1 | O5 | 106.2° | 120.0° |
| O4 | B1 | C12 | 107.1° | 120.1° |
| O5 | B1 | C12 | 105.6° | 120.0° |
| B1 | O5 | H23 | 109.5° | 114.0° |
| B1 | C12 | N4 | 113.6° | 109.5° |
| B1 | C12 | C13 | 115.0° | 109.5° |
| B1 | C12 | H24 | 105.3° | 109.4° |
| N4 | C12 | C13 | 107.9° | 109.5° |
| N4 | C12 | H24 | 107.8° | 109.5° |
| C12 | N4 | H25 | 119.1° | 120.0° |
| C12 | N4 | C7 | 121.7° | 120.0° |
| C13 | C12 | H24 | 106.8° | 109.5° |
| C12 | C13 | C14 | 110.8° | 109.5° |
| C12 | C13 | H26 | 109.2° | 109.5° |
| C12 | C13 | H27 | 109.1° | 109.5° |
| H25 | N4 | C7 | 119.1° | 120.0° |
| C14 | C13 | H26 | 109.1° | 109.5° |
| C14 | C13 | H27 | 109.1° | 109.4° |
| C13 | C14 | C15 | 117.2° | 109.5° |
| C13 | C14 | H28 | 107.5° | 109.5° |
| C13 | C14 | H29 | 107.5° | 109.5° |
| H26 | C13 | H27 | 109.4° | 109.4° |
| C15 | C14 | H28 | 107.5° | 109.5° |
| C15 | C14 | H29 | 107.5° | 109.4° |
| C14 | C15 | N5 | 109.6° | 109.5° |
| C14 | C15 | H30 | 109.4° | 109.5° |
| C14 | C15 | H31 | 109.5° | 109.5° |
| H28 | C14 | H29 | 109.5° | 109.5° |
| N5 | C15 | H30 | 109.5° | 109.5° |
| N5 | C15 | H31 | 109.4° | 109.4° |
| C15 | N5 | C16 | 125.7° | 120.0° |
| C15 | N5 | H32 | 117.1° | 119.9° |
| H30 | C15 | H31 | 109.5° | 109.4° |
| C16 | N5 | H32 | 117.1° | 120.0° |
| N5 | C16 | N6 | 120.8° | 120.0° |
| N5 | C16 | N7 | 119.7° | 120.0° |
| N6 | C16 | N7 | 119.5° | 120.0° |
| C16 | N6 | H33 | 112.0° | 120.0° |
| C16 | N7 | H34 | 120.0° | 120.0° |
| C16 | N7 | H35 | 120.0° | 120.0° |
| H34 | N7 | H35 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 169.0° | 179.8° |
| O1 | C1 | C2 | H1 | 0.0° | 0.0° |
| O1 | C1 | C2 | H2 | 120.0° | 120.0° |
| O1 | C1 | C2 | H3 | 120.0° | 120.0° |
| O1 | C1 | N1 | C3 | 166.1° | 0.0° |
| O1 | C1 | N1 | H4 | 13.9° | 180.0° |
| C1 | C2 | H1 | H2 | 120.0° | 120.1° |
| C1 | C2 | H1 | H3 | 120.0° | 120.0° |
| C1 | C2 | H2 | H3 | 120.0° | 120.0° |
| C2 | C1 | N1 | C3 | 24.9° | 179.7° |
| C2 | C1 | N1 | H4 | 155.1° | 0.2° |
| H1 | C2 | H2 | H3 | 120.0° | 120.0° |
| H1 | C2 | C1 | N1 | 169.0° | 179.7° |
| H2 | C2 | C1 | N1 | 49.0° | 59.7° |
| H3 | C2 | C1 | N1 | 71.0° | 60.3° |
| C3 | N1 | H4 | C1 | 180.0° | 180.0° |
| N1 | C3 | C4 | C5 | 121.3° | 120.0° |
| N1 | C3 | C4 | H5 | 119.6° | 120.0° |
| N1 | C3 | C5 | H5 | 120.1° | 120.0° |
| N1 | C3 | C4 | O2 | 45.6° | 0.0° |
| N1 | C3 | C5 | H6 | 180.0° | 60.0° |
| N1 | C3 | C5 | H7 | 60.0° | 180.0° |
| N1 | C3 | C5 | H8 | 60.0° | 60.1° |
| N1 | C3 | C4 | N2 | 134.6° | 180.0° |
| H4 | N1 | C3 | C4 | 91.2° | 25.0° |
| H4 | N1 | C3 | C5 | 30.3° | 95.0° |
| H4 | N1 | C3 | H5 | 149.8° | 145.0° |
| C4 | C3 | C5 | H5 | 119.2° | 120.0° |
| C3 | C4 | O2 | N2 | 179.8° | 179.9° |
| C4 | C3 | C5 | H6 | 59.3° | 60.0° |
| C4 | C3 | C5 | H7 | 179.4° | 60.1° |
| C4 | C3 | C5 | H8 | 60.7° | 180.0° |
| C3 | C4 | N2 | C6 | 179.2° | 180.0° |
| C3 | C4 | N2 | H9 | 0.7° | 0.1° |
| C4 | C3 | N1 | C1 | 88.9° | 155.0° |
| C5 | C3 | C4 | O2 | 75.7° | 120.0° |
| C3 | C5 | H6 | H7 | 120.0° | 120.1° |
| C3 | C5 | H6 | H8 | 120.0° | 120.0° |
| C3 | C5 | H7 | H8 | 120.0° | 119.9° |
| C5 | C3 | N1 | C1 | 149.7° | 85.0° |
| C5 | C3 | C4 | N2 | 104.1° | 60.0° |
| H5 | C3 | C4 | O2 | 165.2° | 120.0° |
| H5 | C3 | C5 | H6 | 59.9° | 180.0° |
| H5 | C3 | C5 | H7 | 60.1° | 59.9° |
| H5 | C3 | C5 | H8 | 179.9° | 60.0° |
| H5 | C3 | N1 | C1 | 30.2° | 35.0° |
| H5 | C3 | C4 | N2 | 15.0° | 59.9° |
| O2 | C4 | N2 | C6 | 1.0° | 0.0° |
| O2 | C4 | N2 | H9 | 179.0° | 180.0° |
| H6 | C5 | H7 | H8 | 119.9° | 120.0° |
| C6 | N2 | H9 | C4 | 180.0° | 180.0° |
| N2 | C6 | C7 | C8 | 121.9° | 120.0° |
| N2 | C6 | C7 | H10 | 121.1° | 120.0° |
| N2 | C6 | C8 | H10 | 118.7° | 120.0° |
| N2 | C6 | C7 | O3 | 20.7° | 0.0° |
| N2 | C6 | C8 | C9 | 48.0° | 65.0° |
| N2 | C6 | C8 | H11 | 72.8° | 55.0° |
| N2 | C6 | C8 | H12 | 168.7° | 175.0° |
| N2 | C6 | C7 | N4 | 160.0° | 180.0° |
| H9 | N2 | C6 | C7 | 105.4° | 25.0° |
| H9 | N2 | C6 | C8 | 15.7° | 95.0° |
| H9 | N2 | C6 | H10 | 133.9° | 145.0° |
| C7 | C6 | C8 | H10 | 117.0° | 120.0° |
| C6 | C7 | O3 | N4 | 179.2° | 180.0° |
| C7 | C6 | C8 | C9 | 172.2° | 175.0° |
| C7 | C6 | C8 | H11 | 51.4° | 65.0° |
| C7 | C6 | C8 | H12 | 67.1° | 55.0° |
| C6 | C7 | N4 | C12 | 179.0° | 180.0° |
| C6 | C7 | N4 | H25 | 1.0° | 0.1° |
| C7 | C6 | N2 | C4 | 74.6° | 155.0° |
| C8 | C6 | C7 | O3 | 101.1° | 120.0° |
| C6 | C8 | C9 | H11 | 120.7° | 120.0° |
| C6 | C8 | C9 | H12 | 120.7° | 120.0° |
| C6 | C8 | H11 | H12 | 117.7° | 120.0° |
| C6 | C8 | C9 | C10 | 173.9° | 180.0° |
| C6 | C8 | C9 | H13 | 65.6° | 60.0° |
| C6 | C8 | C9 | H14 | 53.4° | 60.0° |
| C8 | C6 | C7 | N4 | 78.2° | 60.0° |
| C8 | C6 | N2 | C4 | 164.3° | 85.0° |
| H10 | C6 | C7 | O3 | 141.9° | 120.0° |
| H10 | C6 | C8 | C9 | 70.8° | 55.0° |
| H10 | C6 | C8 | H11 | 168.5° | 175.0° |
| H10 | C6 | C8 | H12 | 50.0° | 65.0° |
| H10 | C6 | C7 | N4 | 38.8° | 60.1° |
| H10 | C6 | N2 | C4 | 46.1° | 35.0° |
| O3 | C7 | N4 | C12 | 0.2° | 0.0° |
| O3 | C7 | N4 | H25 | 179.8° | 180.0° |
| C9 | C8 | H11 | H12 | 117.8° | 120.0° |
| C8 | C9 | C10 | H13 | 120.5° | 120.0° |
| C8 | C9 | C10 | H14 | 120.5° | 120.1° |
| C8 | C9 | H13 | H14 | 118.5° | 120.1° |
| C8 | C9 | C10 | C11 | 176.9° | 180.0° |
| C8 | C9 | C10 | H15 | 56.8° | 60.0° |
| C8 | C9 | C10 | H16 | 62.9° | 60.0° |
| H11 | C8 | C9 | C10 | 53.1° | 60.0° |
| H11 | C8 | C9 | H13 | 173.6° | 180.0° |
| H11 | C8 | C9 | H14 | 67.4° | 60.0° |
| H12 | C8 | C9 | C10 | 65.4° | 60.0° |
| H12 | C8 | C9 | H13 | 55.1° | 60.0° |
| H12 | C8 | C9 | H14 | 174.1° | 180.0° |
| C10 | C9 | H13 | H14 | 118.5° | 119.9° |
| C9 | C10 | C11 | H15 | 120.2° | 119.9° |
| C9 | C10 | C11 | H16 | 120.1° | 120.0° |
| C9 | C10 | H15 | H16 | 119.5° | 120.0° |
| C9 | C10 | C11 | N3 | 177.8° | 179.9° |
| C9 | C10 | C11 | H17 | 61.7° | 60.0° |
| C9 | C10 | C11 | H18 | 57.5° | 60.0° |
| H13 | C9 | C10 | C11 | 62.6° | 60.0° |
| H13 | C9 | C10 | H15 | 177.3° | 179.9° |
| H13 | C9 | C10 | H16 | 57.6° | 60.1° |
| H14 | C9 | C10 | C11 | 56.4° | 59.9° |
| H14 | C9 | C10 | H15 | 63.7° | 60.0° |
| H14 | C9 | C10 | H16 | 176.6° | 180.0° |
| C11 | C10 | H15 | H16 | 119.5° | 120.1° |
| C10 | C11 | N3 | H17 | 120.4° | 120.0° |
| C10 | C11 | N3 | H18 | 120.4° | 120.0° |
| C10 | C11 | H17 | H18 | 118.8° | 120.0° |
| C10 | C11 | N3 | H19 | 180.0° | 180.0° |
| C10 | C11 | N3 | H20 | 60.0° | 60.0° |
| C10 | C11 | N3 | H21 | 60.0° | 60.0° |
| H15 | C10 | C11 | N3 | 57.7° | 60.0° |
| H15 | C10 | C11 | H17 | 178.1° | 179.9° |
| H15 | C10 | C11 | H18 | 62.7° | 60.0° |
| H16 | C10 | C11 | N3 | 62.0° | 60.0° |
| H16 | C10 | C11 | H17 | 58.4° | 60.0° |
| H16 | C10 | C11 | H18 | 177.6° | 180.0° |
| N3 | C11 | H17 | H18 | 118.8° | 120.0° |
| C11 | N3 | H19 | H20 | 120.0° | 120.1° |
| C11 | N3 | H19 | H21 | 120.0° | 120.0° |
| C11 | N3 | H20 | H21 | 120.0° | 119.9° |
| H17 | C11 | N3 | H19 | 59.6° | 60.0° |
| H17 | C11 | N3 | H20 | 179.6° | 180.0° |
| H17 | C11 | N3 | H21 | 60.4° | 60.0° |
| H18 | C11 | N3 | H19 | 59.6° | 60.0° |
| H18 | C11 | N3 | H20 | 60.4° | 60.0° |
| H18 | C11 | N3 | H21 | 179.6° | 180.0° |
| H19 | N3 | H20 | H21 | 120.0° | 120.0° |
| O4 | B1 | O5 | C12 | 113.4° | 180.0° |
| O4 | B1 | O5 | H23 | 180.0° | 0.0° |
| O4 | B1 | C12 | N4 | 139.1° | 120.0° |
| O4 | B1 | C12 | C13 | 95.8° | 120.0° |
| O4 | B1 | C12 | H24 | 21.5° | 0.0° |
| H22 | O4 | B1 | O5 | 180.0° | 180.0° |
| H22 | O4 | B1 | C12 | 67.5° | 0.0° |
| O5 | B1 | C12 | N4 | 26.3° | 60.0° |
| O5 | B1 | C12 | C13 | 151.3° | 60.0° |
| O5 | B1 | C12 | H24 | 91.4° | 180.0° |
| C12 | B1 | O5 | H23 | 66.6° | 180.0° |
| B1 | C12 | N4 | C13 | 128.7° | 120.1° |
| B1 | C12 | N4 | H24 | 116.2° | 119.9° |
| B1 | C12 | C13 | H24 | 116.4° | 119.9° |
| B1 | C12 | N4 | H25 | 58.7° | 75.1° |
| B1 | C12 | C13 | C14 | 165.5° | 60.0° |
| B1 | C12 | C13 | H26 | 74.3° | 180.0° |
| B1 | C12 | C13 | H27 | 45.2° | 60.0° |
| B1 | C12 | N4 | C7 | 121.3° | 105.0° |
| N4 | C12 | C13 | H24 | 115.7° | 120.0° |
| C12 | N4 | H25 | C7 | 180.0° | 179.9° |
| N4 | C12 | C13 | C14 | 66.6° | 180.0° |
| N4 | C12 | C13 | H26 | 53.6° | 60.0° |
| N4 | C12 | C13 | H27 | 173.2° | 60.0° |
| C13 | C12 | N4 | H25 | 70.1° | 45.0° |
| C12 | C13 | C14 | H26 | 120.2° | 120.0° |
| C12 | C13 | C14 | H27 | 120.2° | 120.0° |
| C12 | C13 | H26 | H27 | 119.4° | 120.0° |
| C12 | C13 | C14 | C15 | 178.7° | 180.0° |
| C12 | C13 | C14 | H28 | 60.2° | 60.0° |
| C12 | C13 | C14 | H29 | 57.5° | 60.1° |
| C13 | C12 | N4 | C7 | 109.9° | 135.0° |
| H24 | C12 | N4 | H25 | 174.9° | 165.0° |
| H24 | C12 | C13 | C14 | 49.0° | 60.0° |
| H24 | C12 | C13 | H26 | 169.3° | 60.0° |
| H24 | C12 | C13 | H27 | 71.2° | 180.0° |
| H24 | C12 | N4 | C7 | 5.1° | 14.9° |
| C14 | C13 | H26 | H27 | 119.4° | 120.0° |
| C13 | C14 | C15 | H28 | 121.1° | 120.0° |
| C13 | C14 | C15 | H29 | 121.1° | 120.0° |
| C13 | C14 | H28 | H29 | 116.5° | 120.0° |
| C13 | C14 | C15 | N5 | 175.2° | 180.0° |
| C13 | C14 | C15 | H30 | 64.8° | 60.0° |
| C13 | C14 | C15 | H31 | 55.2° | 60.0° |
| H26 | C13 | C14 | C15 | 58.4° | 60.0° |
| H26 | C13 | C14 | H28 | 179.5° | 180.0° |
| H26 | C13 | C14 | H29 | 62.7° | 59.9° |
| H27 | C13 | C14 | C15 | 61.1° | 60.0° |
| H27 | C13 | C14 | H28 | 60.0° | 60.0° |
| H27 | C13 | C14 | H29 | 177.8° | 179.9° |
| C15 | C14 | H28 | H29 | 116.5° | 120.0° |
| C14 | C15 | N5 | H30 | 120.0° | 120.0° |
| C14 | C15 | N5 | H31 | 120.0° | 120.0° |
| C14 | C15 | H30 | H31 | 119.9° | 120.0° |
| C14 | C15 | N5 | C16 | 165.7° | 180.0° |
| C14 | C15 | N5 | H32 | 14.3° | 0.0° |
| H28 | C14 | C15 | N5 | 54.1° | 60.0° |
| H28 | C14 | C15 | H30 | 174.1° | 180.0° |
| H28 | C14 | C15 | H31 | 66.0° | 60.0° |
| H29 | C14 | C15 | N5 | 63.7° | 60.0° |
| H29 | C14 | C15 | H30 | 56.3° | 60.0° |
| H29 | C14 | C15 | H31 | 176.3° | 180.0° |
| N5 | C15 | H30 | H31 | 119.9° | 119.9° |
| C15 | N5 | C16 | H32 | 180.0° | 180.0° |
| C15 | N5 | C16 | N6 | 0.2° | 180.0° |
| C15 | N5 | C16 | N7 | 179.0° | 0.0° |
| H30 | C15 | N5 | C16 | 45.7° | 60.0° |
| H30 | C15 | N5 | H32 | 134.4° | 120.0° |
| H31 | C15 | N5 | C16 | 74.3° | 60.0° |
| H31 | C15 | N5 | H32 | 105.7° | 120.0° |
| N5 | C16 | N6 | N7 | 179.2° | 180.0° |
| N5 | C16 | N6 | H33 | 179.2° | 180.0° |
| N5 | C16 | N7 | H34 | 179.2° | 0.1° |
| N5 | C16 | N7 | H35 | 0.8° | 180.0° |
| H32 | N5 | C16 | N6 | 179.8° | 0.0° |
| H32 | N5 | C16 | N7 | 1.0° | 179.9° |
| N6 | C16 | N7 | H34 | 0.0° | 179.9° |
| N6 | C16 | N7 | H35 | 180.0° | 0.0° |
| N7 | C16 | N6 | H33 | 0.0° | 0.0° |
| C16 | N7 | H34 | H35 | 180.0° | 179.9° |
