R33
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N11 | C09 | doub | 1.30Å | 1.25Å | |
| N10 | C09 | sing | 1.37Å | 1.45Å | |
| C09 | N08 | sing | 1.37Å | 1.45Å | |
| N08 | C07 | sing | 1.47Å | 1.45Å | |
| C07 | C06 | sing | 1.53Å | 1.53Å | |
| C14 | N15 | sing | 1.47Å | 1.45Å | |
| C14 | C13 | sing | 1.51Å | 1.53Å | |
| C06 | C05 | sing | 1.53Å | 1.52Å | |
| N12 | C13 | sing | 1.35Å | 1.45Å | |
| N12 | C04 | sing | 1.46Å | 1.45Å | |
| C13 | O16 | doub | 1.21Å | 1.19Å | |
| C05 | C04 | sing | 1.53Å | 1.53Å | |
| C04 | C02 | sing | 1.51Å | 1.53Å | |
| C03 | C02 | sing | 1.51Å | 1.52Å | |
| C02 | O01 | doub | 1.21Å | 1.18Å | |
| C03 | H1 | sing | 1.09Å | 1.10Å | |
| C03 | H2 | sing | 1.09Å | 1.10Å | |
| C03 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H4 | sing | 1.09Å | 1.10Å | |
| C05 | H5 | sing | 1.09Å | 1.10Å | |
| C05 | H6 | sing | 1.09Å | 1.10Å | |
| C06 | H7 | sing | 1.09Å | 1.10Å | |
| C06 | H8 | sing | 1.09Å | 1.10Å | |
| C07 | H9 | sing | 1.09Å | 1.10Å | |
| C07 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| N08 | H13 | sing | 0.97Å | 1.00Å | |
| N10 | H14 | sing | 0.97Å | 1.00Å | |
| N10 | H15 | sing | 0.97Å | 1.00Å | |
| N11 | H16 | sing | 0.97Å | 1.00Å | |
| N12 | H17 | sing | 0.97Å | 1.00Å | |
| N15 | H18 | sing | 1.01Å | 1.00Å | |
| N15 | H19 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N11 | C09 | N10 | 120.2° | 120.0° |
| N11 | C09 | N08 | 120.2° | 120.0° |
| C09 | N11 | H16 | 112.0° | 120.0° |
| N10 | C09 | N08 | 119.6° | 120.0° |
| C09 | N10 | H14 | 120.0° | 120.0° |
| C09 | N10 | H15 | 120.0° | 120.0° |
| C09 | N08 | C07 | 120.3° | 120.0° |
| C09 | N08 | H13 | 119.8° | 120.0° |
| N08 | C07 | C06 | 109.4° | 109.5° |
| N08 | C07 | H9 | 109.5° | 109.4° |
| N08 | C07 | H10 | 109.5° | 109.4° |
| C07 | N08 | H13 | 119.9° | 120.0° |
| C07 | C06 | C05 | 111.8° | 109.5° |
| C07 | C06 | H7 | 108.9° | 109.5° |
| C07 | C06 | H8 | 108.9° | 109.5° |
| C06 | C07 | H9 | 109.5° | 109.5° |
| C06 | C07 | H10 | 109.5° | 109.5° |
| N15 | C14 | C13 | 110.5° | 109.5° |
| N15 | C14 | H11 | 109.2° | 109.4° |
| N15 | C14 | H12 | 109.2° | 109.4° |
| C14 | N15 | H18 | 109.5° | 111.0° |
| C14 | N15 | H19 | 109.4° | 111.0° |
| C14 | C13 | N12 | 119.3° | 120.0° |
| C14 | C13 | O16 | 120.3° | 120.0° |
| C13 | C14 | H11 | 109.2° | 109.5° |
| C13 | C14 | H12 | 109.2° | 109.5° |
| C06 | C05 | C04 | 112.7° | 109.5° |
| C06 | C05 | H5 | 108.7° | 109.5° |
| C06 | C05 | H6 | 108.6° | 109.5° |
| C05 | C06 | H7 | 108.9° | 109.5° |
| C05 | C06 | H8 | 108.9° | 109.5° |
| C13 | N12 | C04 | 121.9° | 120.0° |
| N12 | C13 | O16 | 120.4° | 120.0° |
| C13 | N12 | H17 | 119.1° | 119.9° |
| N12 | C04 | C05 | 109.0° | 109.5° |
| N12 | C04 | C02 | 108.5° | 109.5° |
| N12 | C04 | H4 | 111.0° | 109.5° |
| C04 | N12 | H17 | 119.0° | 120.1° |
| C05 | C04 | C02 | 108.6° | 109.5° |
| C05 | C04 | H4 | 109.9° | 109.4° |
| C04 | C05 | H5 | 108.7° | 109.4° |
| C04 | C05 | H6 | 108.7° | 109.5° |
| C04 | C02 | C03 | 119.6° | 120.0° |
| C04 | C02 | O01 | 121.2° | 120.0° |
| C02 | C04 | H4 | 109.9° | 109.4° |
| C03 | C02 | O01 | 119.3° | 120.0° |
| C02 | C03 | H1 | 109.5° | 109.5° |
| C02 | C03 | H2 | 109.5° | 109.5° |
| C02 | C03 | H3 | 109.4° | 109.5° |
| H1 | C03 | H2 | 109.4° | 109.4° |
| H1 | C03 | H3 | 109.5° | 109.4° |
| H2 | C03 | H3 | 109.5° | 109.5° |
| H5 | C05 | H6 | 109.5° | 109.4° |
| H7 | C06 | H8 | 109.5° | 109.5° |
| H9 | C07 | H10 | 109.5° | 109.5° |
| H11 | C14 | H12 | 109.5° | 109.5° |
| H14 | N10 | H15 | 120.0° | 120.0° |
| H18 | N15 | H19 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N11 | C09 | N10 | N08 | 179.9° | 180.0° |
| N11 | C09 | N08 | C07 | 0.1° | 0.0° |
| N11 | C09 | N08 | H13 | 180.0° | 179.9° |
| N11 | C09 | N10 | H14 | 179.9° | 179.9° |
| N11 | C09 | N10 | H15 | 0.1° | 0.1° |
| N10 | C09 | N08 | C07 | 179.9° | 180.0° |
| N10 | C09 | N08 | H13 | 0.1° | 0.0° |
| C09 | N10 | H14 | H15 | 180.0° | 180.0° |
| N10 | C09 | N11 | H16 | 179.9° | 180.0° |
| C09 | N08 | C07 | H13 | 180.0° | 179.9° |
| C09 | N08 | C07 | C06 | 148.8° | 180.0° |
| C09 | N08 | C07 | H9 | 91.2° | 60.0° |
| C09 | N08 | C07 | H10 | 28.8° | 60.0° |
| N08 | C09 | N10 | H14 | 0.0° | 0.0° |
| N08 | C09 | N10 | H15 | 180.0° | 180.0° |
| N08 | C09 | N11 | H16 | 0.0° | 0.1° |
| N08 | C07 | C06 | H9 | 120.0° | 120.0° |
| N08 | C07 | C06 | H10 | 120.0° | 119.9° |
| N08 | C07 | C06 | C05 | 179.1° | 180.0° |
| N08 | C07 | C06 | H7 | 58.7° | 60.0° |
| N08 | C07 | C06 | H8 | 60.6° | 60.0° |
| N08 | C07 | H9 | H10 | 120.0° | 119.9° |
| C07 | C06 | C05 | H7 | 120.4° | 120.0° |
| C07 | C06 | C05 | H8 | 120.3° | 120.0° |
| C07 | C06 | C05 | C04 | 166.3° | 180.0° |
| C07 | C06 | C05 | H5 | 73.2° | 60.0° |
| C07 | C06 | C05 | H6 | 45.8° | 60.0° |
| C07 | C06 | H7 | H8 | 118.9° | 120.0° |
| C06 | C07 | H9 | H10 | 120.1° | 120.1° |
| C06 | C07 | N08 | H13 | 31.3° | 0.1° |
| N15 | C14 | C13 | H11 | 120.1° | 120.0° |
| N15 | C14 | C13 | H12 | 120.1° | 120.0° |
| N15 | C14 | C13 | N12 | 178.3° | 180.0° |
| N15 | C14 | C13 | O16 | 1.7° | 0.0° |
| N15 | C14 | H11 | H12 | 119.5° | 119.9° |
| C14 | N15 | H18 | H19 | 120.0° | 124.0° |
| C14 | C13 | N12 | O16 | 180.0° | 180.0° |
| C14 | C13 | N12 | C04 | 179.9° | 180.0° |
| C13 | C14 | H11 | H12 | 119.5° | 120.0° |
| C14 | C13 | N12 | H17 | 0.1° | 0.0° |
| C13 | C14 | N15 | H18 | 180.0° | 56.0° |
| C13 | C14 | N15 | H19 | 60.0° | 180.0° |
| C06 | C05 | C04 | N12 | 74.6° | 65.0° |
| C06 | C05 | C04 | H5 | 120.5° | 120.0° |
| C06 | C05 | C04 | H6 | 120.5° | 120.0° |
| C06 | C05 | C04 | C02 | 167.4° | 175.0° |
| C06 | C05 | C04 | H4 | 47.2° | 55.0° |
| C06 | C05 | H5 | H6 | 118.5° | 120.0° |
| C05 | C06 | H7 | H8 | 118.9° | 120.0° |
| C05 | C06 | C07 | H9 | 60.9° | 60.0° |
| C05 | C06 | C07 | H10 | 59.1° | 60.0° |
| C13 | N12 | C04 | H17 | 180.0° | 180.0° |
| C13 | N12 | C04 | C05 | 128.6° | 155.0° |
| C13 | N12 | C04 | C02 | 113.4° | 85.0° |
| C13 | N12 | C04 | H4 | 7.4° | 35.0° |
| N12 | C13 | C14 | H11 | 61.6° | 60.0° |
| N12 | C13 | C14 | H12 | 58.1° | 60.0° |
| C04 | N12 | C13 | O16 | 0.1° | 0.0° |
| N12 | C04 | C05 | C02 | 118.0° | 120.0° |
| N12 | C04 | C05 | H4 | 121.8° | 120.0° |
| N12 | C04 | C02 | H4 | 121.5° | 120.0° |
| N12 | C04 | C02 | C03 | 2.4° | 164.7° |
| N12 | C04 | C02 | O01 | 177.8° | 15.0° |
| N12 | C04 | C05 | H5 | 164.9° | 55.1° |
| N12 | C04 | C05 | H6 | 45.8° | 175.0° |
| O16 | C13 | C14 | H11 | 118.4° | 120.0° |
| O16 | C13 | C14 | H12 | 121.9° | 120.0° |
| O16 | C13 | N12 | H17 | 179.9° | 180.0° |
| C05 | C04 | C02 | H4 | 120.2° | 120.0° |
| C05 | C04 | C02 | C03 | 115.9° | 75.2° |
| C05 | C04 | C02 | O01 | 63.9° | 105.0° |
| C04 | C05 | H5 | H6 | 118.5° | 119.9° |
| C04 | C05 | C06 | H7 | 45.9° | 60.0° |
| C04 | C05 | C06 | H8 | 73.4° | 60.0° |
| C05 | C04 | N12 | H17 | 51.4° | 25.0° |
| C04 | C02 | C03 | O01 | 179.8° | 179.8° |
| C04 | C02 | C03 | H1 | 179.8° | 89.7° |
| C04 | C02 | C03 | H2 | 59.8° | 30.3° |
| C04 | C02 | C03 | H3 | 60.1° | 150.3° |
| C02 | C04 | C05 | H5 | 46.9° | 65.0° |
| C02 | C04 | C05 | H6 | 72.1° | 54.9° |
| C02 | C04 | N12 | H17 | 66.6° | 95.0° |
| C02 | C03 | H1 | H2 | 120.0° | 120.0° |
| C02 | C03 | H1 | H3 | 120.0° | 120.0° |
| C02 | C03 | H2 | H3 | 120.0° | 120.0° |
| C03 | C02 | C04 | H4 | 123.9° | 44.7° |
| O01 | C02 | C03 | H1 | 0.0° | 90.0° |
| O01 | C02 | C03 | H2 | 120.0° | 150.0° |
| O01 | C02 | C03 | H3 | 120.0° | 29.9° |
| O01 | C02 | C04 | H4 | 56.3° | 135.0° |
| H1 | C03 | H2 | H3 | 120.0° | 119.9° |
| H4 | C04 | C05 | H5 | 73.3° | 175.1° |
| H4 | C04 | C05 | H6 | 167.7° | 65.0° |
| H4 | C04 | N12 | H17 | 172.6° | 145.0° |
| H5 | C05 | C06 | H7 | 166.5° | 180.0° |
| H5 | C05 | C06 | H8 | 47.1° | 60.0° |
| H6 | C05 | C06 | H7 | 74.6° | 60.0° |
| H6 | C05 | C06 | H8 | 166.1° | 180.0° |
| H7 | C06 | C07 | H9 | 178.7° | 180.0° |
| H7 | C06 | C07 | H10 | 61.3° | 60.0° |
| H8 | C06 | C07 | H9 | 59.4° | 60.0° |
| H8 | C06 | C07 | H10 | 179.4° | 180.0° |
| H9 | C07 | N08 | H13 | 88.8° | 120.0° |
| H10 | C07 | N08 | H13 | 151.2° | 120.0° |
| H11 | C14 | N15 | H18 | 59.9° | 64.0° |
| H11 | C14 | N15 | H19 | 60.1° | 60.0° |
| H12 | C14 | N15 | H18 | 59.8° | 176.0° |
| H12 | C14 | N15 | H19 | 179.8° | 60.0° |
