3V3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C1 | sing | 1.47Å | 1.50Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | O3 | sing | 1.43Å | 1.43Å | |
| O3 | C4 | sing | 1.43Å | 1.43Å | |
| C4 | C5 | sing | 1.53Å | 1.50Å | |
| O6 | C5 | sing | 1.43Å | 1.42Å | |
| O6 | C7 | sing | 1.43Å | 1.42Å | |
| O9 | C8 | sing | 1.43Å | 1.43Å | |
| O9 | C10 | sing | 1.43Å | 1.43Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C14 | C | sing | 1.51Å | 1.51Å | |
| C14 | C13 | sing | 1.53Å | 1.51Å | |
| C | O | doub | 1.21Å | 1.22Å | |
| O12 | C13 | sing | 1.43Å | 1.40Å | |
| O12 | C11 | sing | 1.43Å | 1.43Å | |
| C10 | C11 | sing | 1.53Å | 1.49Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H22 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C | OXT | sing | 1.34Å | 1.03Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | C1 | C2 | 111.8° | 109.5° |
| N | C1 | H1 | 108.9° | 109.4° |
| N | C1 | H22 | 108.9° | 109.4° |
| C1 | N | H | 109.5° | 111.0° |
| C1 | N | H2 | 109.5° | 111.0° |
| C1 | C2 | O3 | 108.8° | 109.5° |
| C2 | C1 | H1 | 108.9° | 109.5° |
| C2 | C1 | H22 | 108.9° | 109.5° |
| C1 | C2 | H3 | 109.7° | 109.5° |
| C1 | C2 | H4 | 109.6° | 109.5° |
| C2 | O3 | C4 | 111.9° | 114.0° |
| O3 | C2 | H3 | 109.6° | 109.4° |
| O3 | C2 | H4 | 109.6° | 109.5° |
| O3 | C4 | C5 | 108.2° | 109.5° |
| O3 | C4 | H5 | 109.8° | 109.5° |
| O3 | C4 | H6 | 109.8° | 109.5° |
| C4 | C5 | O6 | 106.7° | 109.4° |
| C5 | C4 | H5 | 109.8° | 109.4° |
| C5 | C4 | H6 | 109.8° | 109.5° |
| C4 | C5 | H7 | 110.2° | 109.4° |
| C4 | C5 | H8 | 110.1° | 109.5° |
| C5 | O6 | C7 | 113.5° | 114.0° |
| O6 | C5 | H7 | 110.1° | 109.5° |
| O6 | C5 | H8 | 110.2° | 109.5° |
| O6 | C7 | C8 | 113.2° | 109.5° |
| O6 | C7 | H9 | 108.5° | 109.5° |
| O6 | C7 | H10 | 108.5° | 109.4° |
| C8 | O9 | C10 | 117.3° | 114.0° |
| O9 | C8 | C7 | 113.7° | 109.5° |
| O9 | C8 | H11 | 108.4° | 109.5° |
| O9 | C8 | H12 | 108.4° | 109.5° |
| O9 | C10 | C11 | 110.9° | 109.5° |
| O9 | C10 | H13 | 109.1° | 109.4° |
| O9 | C10 | H14 | 109.1° | 109.5° |
| C8 | C7 | H9 | 108.5° | 109.5° |
| C8 | C7 | H10 | 108.5° | 109.4° |
| C7 | C8 | H11 | 108.4° | 109.5° |
| C7 | C8 | H12 | 108.4° | 109.5° |
| C | C14 | C13 | 110.6° | 109.5° |
| C14 | C | O | 117.8° | 120.0° |
| C | C14 | H19 | 109.2° | 109.5° |
| C | C14 | H20 | 109.2° | 109.5° |
| C14 | C | OXT | 121.1° | 120.0° |
| C14 | C13 | O12 | 108.2° | 109.5° |
| C14 | C13 | H17 | 109.8° | 109.4° |
| C14 | C13 | H18 | 109.8° | 109.5° |
| C13 | C14 | H19 | 109.2° | 109.5° |
| C13 | C14 | H20 | 109.2° | 109.4° |
| O | C | OXT | 121.1° | 120.0° |
| C13 | O12 | C11 | 111.4° | 114.0° |
| O12 | C13 | H17 | 109.8° | 109.4° |
| O12 | C13 | H18 | 109.8° | 109.5° |
| O12 | C11 | C10 | 107.4° | 109.5° |
| O12 | C11 | H15 | 110.0° | 109.5° |
| O12 | C11 | H16 | 110.0° | 109.4° |
| C11 | C10 | H13 | 109.1° | 109.5° |
| C11 | C10 | H14 | 109.1° | 109.5° |
| C10 | C11 | H15 | 110.0° | 109.5° |
| C10 | C11 | H16 | 110.0° | 109.5° |
| H1 | C1 | H22 | 109.4° | 109.5° |
| H3 | C2 | H4 | 109.5° | 109.5° |
| H5 | C4 | H6 | 109.5° | 109.5° |
| H7 | C5 | H8 | 109.5° | 109.5° |
| H9 | C7 | H10 | 109.5° | 109.4° |
| H11 | C8 | H12 | 109.5° | 109.5° |
| H13 | C10 | H14 | 109.5° | 109.5° |
| H15 | C11 | H16 | 109.5° | 109.5° |
| H17 | C13 | H18 | 109.5° | 109.5° |
| H19 | C14 | H20 | 109.5° | 109.5° |
| C | OXT | HXT | 109.5° | 117.0° |
| H | N | H2 | 109.5° | 111.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C1 | C2 | H1 | 120.4° | 120.0° |
| N | C1 | C2 | H22 | 120.4° | 120.0° |
| N | C1 | C2 | O3 | 73.7° | 65.0° |
| N | C1 | H1 | H22 | 118.9° | 119.9° |
| N | C1 | C2 | H3 | 46.2° | 175.0° |
| N | C1 | C2 | H4 | 166.4° | 55.0° |
| C1 | N | H | H2 | 120.0° | 124.0° |
| C1 | C2 | O3 | H3 | 119.9° | 120.0° |
| C1 | C2 | O3 | H4 | 119.9° | 120.0° |
| C1 | C2 | O3 | C4 | 161.8° | 180.0° |
| C2 | C1 | H1 | H22 | 118.9° | 120.1° |
| C1 | C2 | H3 | H4 | 120.3° | 120.0° |
| C2 | C1 | N | H | 180.0° | 56.0° |
| C2 | C1 | N | H2 | 60.0° | 180.0° |
| C2 | O3 | C4 | C5 | 177.4° | 180.0° |
| O3 | C2 | C1 | H1 | 165.9° | 175.0° |
| O3 | C2 | C1 | H22 | 46.7° | 54.9° |
| O3 | C2 | H3 | H4 | 120.3° | 120.0° |
| C2 | O3 | C4 | H5 | 62.8° | 60.1° |
| C2 | O3 | C4 | H6 | 57.6° | 60.0° |
| O3 | C4 | C5 | H5 | 119.8° | 120.0° |
| O3 | C4 | C5 | H6 | 119.8° | 120.0° |
| O3 | C4 | C5 | O6 | 59.0° | 65.0° |
| C4 | O3 | C2 | H3 | 41.9° | 60.0° |
| C4 | O3 | C2 | H4 | 78.2° | 60.0° |
| O3 | C4 | H5 | H6 | 120.6° | 120.0° |
| O3 | C4 | C5 | H7 | 178.5° | 175.0° |
| O3 | C4 | C5 | H8 | 60.6° | 55.0° |
| C4 | C5 | O6 | H7 | 119.5° | 119.9° |
| C4 | C5 | O6 | H8 | 119.6° | 120.0° |
| C4 | C5 | O6 | C7 | 167.1° | 180.0° |
| C5 | C4 | H5 | H6 | 120.6° | 120.0° |
| C4 | C5 | H7 | H8 | 121.3° | 120.0° |
| C5 | O6 | C7 | C8 | 173.8° | 180.0° |
| O6 | C5 | C4 | H5 | 60.8° | 55.0° |
| O6 | C5 | C4 | H6 | 178.8° | 175.0° |
| O6 | C5 | H7 | H8 | 121.3° | 120.1° |
| C5 | O6 | C7 | H9 | 65.7° | 60.0° |
| C5 | O6 | C7 | H10 | 53.2° | 60.0° |
| O6 | C7 | C8 | O9 | 64.2° | 65.0° |
| O6 | C7 | C8 | H9 | 120.5° | 120.0° |
| O6 | C7 | C8 | H10 | 120.6° | 120.0° |
| C7 | O6 | C5 | H7 | 47.5° | 60.1° |
| C7 | O6 | C5 | H8 | 73.4° | 60.0° |
| O6 | C7 | H9 | H10 | 118.3° | 120.0° |
| O6 | C7 | C8 | H11 | 175.2° | 175.0° |
| O6 | C7 | C8 | H12 | 56.5° | 55.0° |
| O9 | C8 | C7 | H11 | 120.6° | 120.0° |
| O9 | C8 | C7 | H12 | 120.6° | 120.0° |
| C8 | O9 | C10 | C11 | 91.3° | 180.0° |
| O9 | C8 | C7 | H9 | 175.3° | 175.0° |
| O9 | C8 | C7 | H10 | 56.4° | 55.0° |
| O9 | C8 | H11 | H12 | 118.1° | 120.0° |
| C8 | O9 | C10 | H13 | 28.9° | 60.0° |
| C8 | O9 | C10 | H14 | 148.5° | 60.0° |
| C10 | O9 | C8 | C7 | 73.7° | 180.0° |
| O9 | C10 | C11 | O12 | 64.1° | 65.0° |
| O9 | C10 | C11 | H13 | 120.2° | 119.9° |
| O9 | C10 | C11 | H14 | 120.2° | 120.0° |
| C10 | O9 | C8 | H11 | 46.9° | 60.0° |
| C10 | O9 | C8 | H12 | 165.6° | 60.0° |
| O9 | C10 | H13 | H14 | 119.3° | 120.0° |
| O9 | C10 | C11 | H15 | 176.2° | 175.0° |
| O9 | C10 | C11 | H16 | 55.5° | 54.9° |
| C8 | C7 | H9 | H10 | 118.3° | 120.0° |
| C7 | C8 | H11 | H12 | 118.0° | 120.0° |
| C | C14 | C13 | H19 | 120.2° | 120.0° |
| C | C14 | C13 | H20 | 120.2° | 120.0° |
| C14 | C | O | OXT | 180.0° | 180.0° |
| C | C14 | C13 | O12 | 63.8° | 180.0° |
| C | C14 | C13 | H17 | 56.0° | 60.0° |
| C | C14 | C13 | H18 | 176.4° | 60.0° |
| C | C14 | H19 | H20 | 119.5° | 120.0° |
| C14 | C | OXT | HXT | 180.0° | 180.0° |
| C13 | C14 | C | O | 50.1° | 0.0° |
| C14 | C13 | O12 | H17 | 119.8° | 120.0° |
| C14 | C13 | O12 | H18 | 119.8° | 120.0° |
| C14 | C13 | O12 | C11 | 178.7° | 180.0° |
| C14 | C13 | H17 | H18 | 120.6° | 120.0° |
| C13 | C14 | H19 | H20 | 119.5° | 119.9° |
| C13 | C14 | C | OXT | 129.9° | 180.0° |
| O | C | C14 | H19 | 70.1° | 120.0° |
| O | C | C14 | H20 | 170.3° | 120.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| C13 | O12 | C11 | C10 | 169.7° | 180.0° |
| C13 | O12 | C11 | H15 | 70.7° | 59.9° |
| C13 | O12 | C11 | H16 | 50.0° | 60.1° |
| O12 | C13 | H17 | H18 | 120.6° | 120.0° |
| O12 | C13 | C14 | H19 | 176.0° | 60.0° |
| O12 | C13 | C14 | H20 | 56.4° | 60.0° |
| O12 | C11 | C10 | H15 | 119.6° | 120.0° |
| O12 | C11 | C10 | H16 | 119.7° | 119.9° |
| O12 | C11 | C10 | H13 | 175.7° | 175.1° |
| O12 | C11 | C10 | H14 | 56.1° | 55.0° |
| O12 | C11 | H15 | H16 | 121.0° | 120.0° |
| C11 | O12 | C13 | H17 | 61.5° | 60.1° |
| C11 | O12 | C13 | H18 | 58.9° | 59.9° |
| C11 | C10 | H13 | H14 | 119.3° | 120.0° |
| C10 | C11 | H15 | H16 | 121.0° | 120.0° |
| H1 | C1 | C2 | H3 | 74.2° | 55.1° |
| H1 | C1 | C2 | H4 | 46.0° | 65.0° |
| H1 | C1 | N | H | 59.6° | 64.0° |
| H1 | C1 | N | H2 | 60.4° | 60.0° |
| H22 | C1 | C2 | H3 | 166.5° | 65.0° |
| H22 | C1 | C2 | H4 | 73.3° | 175.0° |
| H22 | C1 | N | H | 59.6° | 176.0° |
| H22 | C1 | N | H2 | 179.6° | 60.0° |
| H5 | C4 | C5 | H7 | 58.7° | 65.0° |
| H5 | C4 | C5 | H8 | 179.6° | 174.9° |
| H6 | C4 | C5 | H7 | 61.7° | 55.1° |
| H6 | C4 | C5 | H8 | 59.2° | 65.0° |
| H9 | C7 | C8 | H11 | 54.7° | 55.0° |
| H9 | C7 | C8 | H12 | 64.1° | 65.0° |
| H10 | C7 | C8 | H11 | 64.2° | 65.0° |
| H10 | C7 | C8 | H12 | 177.1° | 175.0° |
| H13 | C10 | C11 | H15 | 56.0° | 55.1° |
| H13 | C10 | C11 | H16 | 64.7° | 65.0° |
| H14 | C10 | C11 | H15 | 63.5° | 65.0° |
| H14 | C10 | C11 | H16 | 175.8° | 174.9° |
| H17 | C13 | C14 | H19 | 64.2° | 60.0° |
| H17 | C13 | C14 | H20 | 176.2° | 180.0° |
| H18 | C13 | C14 | H19 | 56.2° | 180.0° |
| H18 | C13 | C14 | H20 | 63.4° | 60.0° |
| H19 | C14 | C | OXT | 109.9° | 60.0° |
| H20 | C14 | C | OXT | 9.7° | 60.0° |
