29N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | C14 | sing | 1.53Å | 1.51Å | |
| O15 | C13 | doub | 1.21Å | 1.25Å | |
| C14 | C13 | sing | 1.51Å | 1.52Å | |
| C13 | N3 | sing | 1.35Å | 1.47Å | |
| C16 | C8 | sing | 1.53Å | 1.50Å | |
| C8 | C7 | sing | 1.51Å | 1.49Å | |
| N3 | C2 | sing | 1.47Å | 1.43Å | |
| N3 | C4 | sing | 1.47Å | 1.46Å | |
| C2 | N1 | sing | 1.47Å | 1.43Å | |
| C7 | N1 | sing | 1.35Å | 1.46Å | |
| C7 | O9 | doub | 1.21Å | 1.24Å | |
| N1 | C6 | sing | 1.47Å | 1.46Å | |
| C4 | N5 | sing | 1.47Å | 1.48Å | |
| C19 | C11 | sing | 1.53Å | 1.50Å | |
| N5 | C6 | sing | 1.47Å | 1.47Å | |
| N5 | C10 | sing | 1.35Å | 1.46Å | |
| C11 | C10 | sing | 1.51Å | 1.49Å | |
| C10 | O12 | doub | 1.21Å | 1.22Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C25 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | C14 | C13 | 111.7° | 109.5° |
| C25 | C14 | H11 | 108.9° | 109.4° |
| C25 | C14 | H12 | 108.9° | 109.5° |
| C14 | C25 | H19 | 109.5° | 109.4° |
| C14 | C25 | H20 | 109.5° | 109.5° |
| C14 | C25 | H21 | 109.5° | 109.5° |
| O15 | C13 | C14 | 120.4° | 120.0° |
| O15 | C13 | N3 | 119.0° | 120.0° |
| C14 | C13 | N3 | 120.6° | 120.0° |
| C13 | C14 | H11 | 108.9° | 109.5° |
| C13 | C14 | H12 | 108.9° | 109.5° |
| C13 | N3 | C2 | 120.0° | 120.9° |
| C13 | N3 | C4 | 125.2° | 120.8° |
| C16 | C8 | C7 | 109.4° | 109.5° |
| C16 | C8 | H7 | 109.5° | 109.5° |
| C16 | C8 | H8 | 109.5° | 109.5° |
| C8 | C16 | H13 | 109.5° | 109.5° |
| C8 | C16 | H14 | 109.5° | 109.4° |
| C8 | C16 | H15 | 109.5° | 109.4° |
| C8 | C7 | N1 | 120.6° | 120.0° |
| C8 | C7 | O9 | 120.1° | 120.0° |
| C7 | C8 | H7 | 109.5° | 109.5° |
| C7 | C8 | H8 | 109.5° | 109.5° |
| C2 | N3 | C4 | 113.9° | 118.3° |
| N3 | C2 | N1 | 104.6° | 108.1° |
| N3 | C2 | H1 | 110.7° | 109.7° |
| N3 | C2 | H2 | 110.7° | 109.8° |
| N3 | C4 | N5 | 102.6° | 108.0° |
| N3 | C4 | H3 | 111.2° | 109.8° |
| N3 | C4 | H4 | 111.2° | 109.7° |
| C2 | N1 | C7 | 124.2° | 120.9° |
| C2 | N1 | C6 | 114.8° | 118.3° |
| N1 | C2 | H1 | 110.7° | 109.7° |
| N1 | C2 | H2 | 110.7° | 109.7° |
| N1 | C7 | O9 | 119.3° | 120.0° |
| C7 | N1 | C6 | 120.9° | 120.8° |
| N1 | C6 | N5 | 109.6° | 108.1° |
| N1 | C6 | H5 | 109.4° | 109.7° |
| N1 | C6 | H6 | 109.4° | 109.7° |
| C4 | N5 | C6 | 114.1° | 118.2° |
| C4 | N5 | C10 | 127.4° | 120.9° |
| N5 | C4 | H3 | 111.2° | 109.7° |
| N5 | C4 | H4 | 111.2° | 109.8° |
| C19 | C11 | C10 | 112.0° | 109.4° |
| C19 | C11 | H9 | 108.8° | 109.5° |
| C19 | C11 | H10 | 108.8° | 109.5° |
| C11 | C19 | H16 | 109.5° | 109.5° |
| C11 | C19 | H17 | 109.5° | 109.5° |
| C11 | C19 | H18 | 109.4° | 109.5° |
| C6 | N5 | C10 | 118.2° | 120.9° |
| N5 | C6 | H5 | 109.4° | 109.8° |
| N5 | C6 | H6 | 109.4° | 109.7° |
| N5 | C10 | C11 | 126.6° | 120.0° |
| N5 | C10 | O12 | 116.4° | 120.0° |
| C11 | C10 | O12 | 116.9° | 120.1° |
| C10 | C11 | H9 | 108.8° | 109.4° |
| C10 | C11 | H10 | 108.8° | 109.5° |
| H1 | C2 | H2 | 109.5° | 109.7° |
| H3 | C4 | H4 | 109.5° | 109.8° |
| H5 | C6 | H6 | 109.5° | 109.8° |
| H7 | C8 | H8 | 109.4° | 109.5° |
| H9 | C11 | H10 | 109.5° | 109.5° |
| H11 | C14 | H12 | 109.4° | 109.4° |
| H13 | C16 | H14 | 109.5° | 109.4° |
| H13 | C16 | H15 | 109.5° | 109.5° |
| H14 | C16 | H15 | 109.5° | 109.6° |
| H16 | C19 | H17 | 109.5° | 109.5° |
| H16 | C19 | H18 | 109.5° | 109.5° |
| H17 | C19 | H18 | 109.5° | 109.5° |
| H19 | C25 | H20 | 109.4° | 109.5° |
| H19 | C25 | H21 | 109.5° | 109.5° |
| H20 | C25 | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | C14 | C13 | O15 | 32.8° | 0.1° |
| C25 | C14 | C13 | H11 | 120.4° | 120.0° |
| C25 | C14 | C13 | H12 | 120.3° | 120.1° |
| C25 | C14 | C13 | N3 | 145.1° | 180.0° |
| C25 | C14 | H11 | H12 | 119.0° | 120.0° |
| C14 | C25 | H19 | H20 | 120.0° | 120.0° |
| C14 | C25 | H19 | H21 | 120.0° | 120.0° |
| C14 | C25 | H20 | H21 | 120.0° | 120.0° |
| O15 | C13 | C14 | N3 | 177.9° | 180.0° |
| O15 | C13 | N3 | C2 | 4.8° | 0.0° |
| O15 | C13 | N3 | C4 | 173.3° | 180.0° |
| O15 | C13 | C14 | H11 | 153.1° | 120.0° |
| O15 | C13 | C14 | H12 | 87.6° | 120.0° |
| C14 | C13 | N3 | C2 | 177.2° | 180.0° |
| C14 | C13 | N3 | C4 | 8.8° | 0.0° |
| C13 | C14 | H11 | H12 | 119.0° | 120.0° |
| C13 | C14 | C25 | H19 | 180.0° | 60.0° |
| C13 | C14 | C25 | H20 | 60.0° | 60.0° |
| C13 | C14 | C25 | H21 | 60.0° | 180.0° |
| C13 | N3 | C2 | C4 | 169.7° | 180.0° |
| C13 | N3 | C2 | N1 | 102.4° | 130.3° |
| C13 | N3 | C4 | N5 | 102.6° | 130.3° |
| C13 | N3 | C2 | H1 | 16.8° | 10.6° |
| C13 | N3 | C2 | H2 | 138.4° | 110.1° |
| C13 | N3 | C4 | H3 | 138.5° | 10.7° |
| C13 | N3 | C4 | H4 | 16.3° | 110.1° |
| N3 | C13 | C14 | H11 | 24.8° | 60.0° |
| N3 | C13 | C14 | H12 | 94.5° | 60.0° |
| C16 | C8 | C7 | H7 | 120.0° | 120.0° |
| C16 | C8 | C7 | H8 | 120.0° | 120.0° |
| C16 | C8 | C7 | N1 | 171.2° | 180.0° |
| C16 | C8 | C7 | O9 | 7.7° | 0.0° |
| C16 | C8 | H7 | H8 | 120.1° | 120.0° |
| C8 | C16 | H13 | H14 | 120.0° | 119.9° |
| C8 | C16 | H13 | H15 | 120.0° | 120.0° |
| C8 | C16 | H14 | H15 | 120.0° | 120.0° |
| C8 | C7 | N1 | C2 | 1.8° | 0.3° |
| C8 | C7 | N1 | O9 | 178.9° | 180.0° |
| C8 | C7 | N1 | C6 | 178.8° | 180.0° |
| C7 | C8 | H7 | H8 | 120.0° | 120.0° |
| C7 | C8 | C16 | H13 | 180.0° | 180.0° |
| C7 | C8 | C16 | H14 | 60.0° | 60.1° |
| C7 | C8 | C16 | H15 | 60.0° | 60.0° |
| N3 | C2 | N1 | H1 | 119.2° | 119.7° |
| N3 | C2 | N1 | H2 | 119.2° | 119.7° |
| N3 | C2 | N1 | C7 | 119.9° | 130.6° |
| N3 | C2 | N1 | C6 | 57.2° | 49.7° |
| C2 | N3 | C4 | N5 | 66.5° | 49.7° |
| N3 | C2 | H1 | H2 | 122.2° | 120.7° |
| C2 | N3 | C4 | H3 | 52.4° | 169.3° |
| C2 | N3 | C4 | H4 | 174.6° | 69.9° |
| C4 | N3 | C2 | N1 | 67.3° | 49.7° |
| N3 | C4 | N5 | H3 | 118.9° | 119.7° |
| N3 | C4 | N5 | H4 | 118.9° | 119.6° |
| N3 | C4 | N5 | C6 | 56.6° | 49.7° |
| N3 | C4 | N5 | C10 | 117.4° | 130.4° |
| C4 | N3 | C2 | H1 | 173.4° | 169.3° |
| C4 | N3 | C2 | H2 | 51.9° | 70.0° |
| N3 | C4 | H3 | H4 | 123.2° | 120.7° |
| C2 | N1 | C7 | C6 | 176.9° | 179.7° |
| C2 | N1 | C7 | O9 | 179.2° | 179.7° |
| C2 | N1 | C6 | N5 | 51.4° | 49.7° |
| N1 | C2 | H1 | H2 | 122.3° | 120.7° |
| C2 | N1 | C6 | H5 | 171.4° | 70.0° |
| C2 | N1 | C6 | H6 | 68.6° | 169.3° |
| C7 | N1 | C6 | N5 | 125.8° | 130.6° |
| C7 | N1 | C2 | H1 | 0.6° | 10.9° |
| C7 | N1 | C2 | H2 | 120.9° | 109.7° |
| C7 | N1 | C6 | H5 | 5.8° | 109.8° |
| C7 | N1 | C6 | H6 | 114.2° | 10.9° |
| N1 | C7 | C8 | H7 | 51.2° | 60.0° |
| N1 | C7 | C8 | H8 | 68.8° | 60.0° |
| O9 | C7 | N1 | C6 | 2.3° | 0.0° |
| O9 | C7 | C8 | H7 | 127.7° | 120.0° |
| O9 | C7 | C8 | H8 | 112.3° | 120.0° |
| N1 | C6 | N5 | C4 | 51.4° | 49.7° |
| N1 | C6 | N5 | H5 | 120.0° | 119.6° |
| N1 | C6 | N5 | H6 | 120.0° | 119.6° |
| N1 | C6 | N5 | C10 | 123.2° | 130.3° |
| C6 | N1 | C2 | H1 | 176.5° | 169.3° |
| C6 | N1 | C2 | H2 | 62.0° | 70.0° |
| N1 | C6 | H5 | H6 | 120.0° | 120.7° |
| C4 | N5 | C6 | C10 | 174.6° | 180.0° |
| C4 | N5 | C10 | C11 | 6.5° | 180.0° |
| C4 | N5 | C10 | O12 | 176.6° | 0.0° |
| N5 | C4 | H3 | H4 | 123.2° | 120.7° |
| C4 | N5 | C6 | H5 | 171.4° | 69.9° |
| C4 | N5 | C6 | H6 | 68.6° | 169.4° |
| C19 | C11 | C10 | N5 | 144.3° | 180.0° |
| C19 | C11 | C10 | H9 | 120.4° | 120.0° |
| C19 | C11 | C10 | H10 | 120.4° | 120.1° |
| C19 | C11 | C10 | O12 | 38.8° | 0.0° |
| C19 | C11 | H9 | H10 | 118.9° | 120.1° |
| C11 | C19 | H16 | H17 | 120.0° | 120.0° |
| C11 | C19 | H16 | H18 | 120.0° | 120.0° |
| C11 | C19 | H17 | H18 | 120.0° | 120.0° |
| C6 | N5 | C10 | C11 | 179.7° | 0.0° |
| C6 | N5 | C10 | O12 | 2.8° | 180.0° |
| C6 | N5 | C4 | H3 | 62.3° | 169.3° |
| C6 | N5 | C4 | H4 | 175.5° | 69.9° |
| N5 | C6 | H5 | H6 | 120.0° | 120.7° |
| N5 | C10 | C11 | O12 | 176.9° | 180.0° |
| C10 | N5 | C4 | H3 | 123.7° | 10.7° |
| C10 | N5 | C4 | H4 | 1.5° | 110.0° |
| C10 | N5 | C6 | H5 | 3.2° | 110.0° |
| C10 | N5 | C6 | H6 | 116.8° | 10.7° |
| N5 | C10 | C11 | H9 | 24.0° | 60.0° |
| N5 | C10 | C11 | H10 | 95.3° | 59.9° |
| C10 | C11 | H9 | H10 | 118.8° | 120.0° |
| C10 | C11 | C19 | H16 | 180.0° | 60.0° |
| C10 | C11 | C19 | H17 | 60.0° | 60.0° |
| C10 | C11 | C19 | H18 | 60.0° | 180.0° |
| O12 | C10 | C11 | H9 | 159.1° | 120.0° |
| O12 | C10 | C11 | H10 | 81.6° | 120.0° |
| H7 | C8 | C16 | H13 | 60.0° | 60.0° |
| H7 | C8 | C16 | H14 | 60.0° | 180.0° |
| H7 | C8 | C16 | H15 | 180.0° | 60.0° |
| H8 | C8 | C16 | H13 | 60.0° | 60.0° |
| H8 | C8 | C16 | H14 | 180.0° | 60.0° |
| H8 | C8 | C16 | H15 | 60.0° | 180.0° |
| H9 | C11 | C19 | H16 | 59.6° | 180.0° |
| H9 | C11 | C19 | H17 | 60.4° | 60.0° |
| H9 | C11 | C19 | H18 | 179.6° | 60.0° |
| H10 | C11 | C19 | H16 | 59.7° | 60.0° |
| H10 | C11 | C19 | H17 | 179.7° | 180.0° |
| H10 | C11 | C19 | H18 | 60.4° | 60.0° |
| H11 | C14 | C25 | H19 | 59.6° | NaN° |
| H11 | C14 | C25 | H20 | 60.4° | 60.0° |
| H11 | C14 | C25 | H21 | 179.7° | 60.0° |
| H12 | C14 | C25 | H19 | 59.7° | 60.1° |
| H12 | C14 | C25 | H20 | 179.6° | 179.9° |
| H12 | C14 | C25 | H21 | 60.4° | 59.9° |
| H13 | C16 | H14 | H15 | 120.0° | 120.1° |
| H16 | C19 | H17 | H18 | 120.0° | 120.0° |
| H19 | C25 | H20 | H21 | 120.0° | 120.0° |
