N9U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O11 | C10 | doub | 1.21Å | 1.30Å | |
| O12 | C10 | sing | 1.34Å | 1.30Å | |
| C10 | C09 | sing | 1.51Å | 1.51Å | |
| C13 | N14 | sing | 1.47Å | 1.43Å | |
| C13 | C09 | sing | 1.53Å | 1.51Å | |
| N08 | C09 | sing | 1.46Å | 1.43Å | |
| N08 | C06 | sing | 1.35Å | 1.41Å | |
| N14 | C15 | sing | 1.35Å | 1.46Å | |
| O07 | C06 | doub | 1.22Å | 1.24Å | |
| C06 | O05 | sing | 1.35Å | 1.42Å | |
| C15 | C17 | sing | 1.51Å | 1.52Å | |
| C15 | O16 | doub | 1.21Å | 1.25Å | |
| C17 | C18 | sing | 1.53Å | 1.43Å | |
| O20 | C18 | sing | 1.44Å | 1.53Å | |
| O20 | N21 | sing | 1.41Å | 1.40Å | |
| O05 | C04 | sing | 1.45Å | 1.44Å | |
| C18 | C19 | sing | 1.55Å | 1.48Å | |
| N21 | C22 | doub | 1.29Å | 1.44Å | |
| C19 | C22 | sing | 1.52Å | 1.31Å | |
| C22 | C23 | sing | 1.48Å | 1.59Å | |
| N31 | C29 | doub | 1.30Å | 1.34Å | |
| C23 | C24 | doub | 1.40Å | 1.40Å | Aromatic |
| C23 | C26 | sing | 1.40Å | 1.40Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C04 | C03 | sing | 1.53Å | 1.56Å | |
| C26 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | C28 | doub | 1.40Å | 1.39Å | Aromatic |
| C27 | C28 | sing | 1.40Å | 1.40Å | Aromatic |
| C03 | C02 | sing | 1.53Å | 1.50Å | |
| C28 | C29 | sing | 1.48Å | 1.52Å | |
| C29 | N30 | sing | 1.38Å | 1.45Å | |
| C02 | C01 | sing | 1.53Å | 1.51Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| O12 | H3 | sing | 0.97Å | 0.95Å | |
| C24 | H5 | sing | 1.08Å | 1.08Å | |
| C25 | H6 | sing | 1.08Å | 1.08Å | |
| C26 | H7 | sing | 1.08Å | 1.08Å | |
| C27 | H8 | sing | 1.08Å | 1.08Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C01 | H14 | sing | 1.09Å | 1.10Å | |
| C01 | H15 | sing | 1.09Å | 1.10Å | |
| C01 | H16 | sing | 1.09Å | 1.10Å | |
| C02 | H17 | sing | 1.09Å | 1.10Å | |
| C02 | H18 | sing | 1.09Å | 1.10Å | |
| C03 | H19 | sing | 1.09Å | 1.10Å | |
| C03 | H20 | sing | 1.09Å | 1.10Å | |
| C04 | H21 | sing | 1.09Å | 1.10Å | |
| C04 | H22 | sing | 1.09Å | 1.10Å | |
| C09 | H23 | sing | 1.09Å | 1.10Å | |
| N08 | H24 | sing | 0.97Å | 1.00Å | |
| N14 | H25 | sing | 0.97Å | 1.00Å | |
| N30 | H27 | sing | 0.97Å | 1.00Å | |
| N30 | H28 | sing | 0.97Å | 1.00Å | |
| N31 | H29 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O11 | C10 | O12 | 119.6° | 119.9° |
| O11 | C10 | C09 | 119.7° | 120.0° |
| O12 | C10 | C09 | 120.7° | 120.0° |
| C10 | O12 | H3 | 109.5° | 117.0° |
| C10 | C09 | C13 | 108.8° | 109.5° |
| C10 | C09 | N08 | 110.1° | 109.5° |
| C10 | C09 | H23 | 108.7° | 109.4° |
| N14 | C13 | C09 | 112.1° | 109.5° |
| C13 | N14 | C15 | 119.7° | 120.0° |
| N14 | C13 | H1 | 108.8° | 109.4° |
| N14 | C13 | H2 | 108.8° | 109.5° |
| C13 | N14 | H25 | 120.1° | 120.0° |
| C13 | C09 | N08 | 110.7° | 109.5° |
| C09 | C13 | H1 | 108.8° | 109.5° |
| C09 | C13 | H2 | 108.8° | 109.5° |
| C13 | C09 | H23 | 108.7° | 109.5° |
| C09 | N08 | C06 | 121.2° | 120.0° |
| N08 | C09 | H23 | 109.8° | 109.4° |
| C09 | N08 | H24 | 119.4° | 120.0° |
| N08 | C06 | O07 | 120.2° | 120.0° |
| N08 | C06 | O05 | 120.3° | 120.0° |
| C06 | N08 | H24 | 119.4° | 120.0° |
| N14 | C15 | C17 | 119.8° | 120.0° |
| N14 | C15 | O16 | 119.7° | 120.0° |
| C15 | N14 | H25 | 120.2° | 120.0° |
| O07 | C06 | O05 | 119.5° | 120.0° |
| C06 | O05 | C04 | 116.6° | 117.0° |
| C17 | C15 | O16 | 120.5° | 120.0° |
| C15 | C17 | C18 | 112.2° | 109.5° |
| C15 | C17 | H9 | 108.8° | 109.4° |
| C15 | C17 | H10 | 108.8° | 109.5° |
| C17 | C18 | O20 | 110.8° | 111.1° |
| C17 | C18 | C19 | 111.2° | 111.0° |
| C18 | C17 | H9 | 108.8° | 109.5° |
| C18 | C17 | H10 | 108.8° | 109.5° |
| C17 | C18 | H11 | 111.2° | 110.9° |
| C18 | O20 | N21 | 103.7° | 107.5° |
| O20 | C18 | C19 | 103.5° | 101.8° |
| O20 | C18 | H11 | 109.6° | 110.8° |
| O20 | N21 | C22 | 104.2° | 112.9° |
| O05 | C04 | C03 | 106.8° | 109.5° |
| O05 | C04 | H21 | 110.1° | 109.5° |
| O05 | C04 | H22 | 110.1° | 109.4° |
| C18 | C19 | C22 | 103.3° | 102.6° |
| C19 | C18 | H11 | 110.3° | 111.0° |
| C18 | C19 | H12 | 111.0° | 110.7° |
| C18 | C19 | H13 | 111.0° | 110.8° |
| N21 | C22 | C19 | 116.0° | 108.3° |
| N21 | C22 | C23 | 119.5° | 125.9° |
| C19 | C22 | C23 | 121.1° | 125.9° |
| C22 | C19 | H12 | 111.0° | 110.8° |
| C22 | C19 | H13 | 111.0° | 110.8° |
| C22 | C23 | C24 | 119.6° | 120.1° |
| C22 | C23 | C26 | 120.3° | 120.0° |
| N31 | C29 | C28 | 120.2° | 120.0° |
| N31 | C29 | N30 | 120.2° | 120.0° |
| C29 | N31 | H29 | 112.0° | 120.0° |
| C24 | C23 | C26 | 120.1° | 120.0° |
| C23 | C24 | C25 | 119.8° | 120.0° |
| C23 | C24 | H5 | 120.1° | 120.0° |
| C23 | C26 | C27 | 119.8° | 120.0° |
| C23 | C26 | H7 | 120.1° | 120.0° |
| C24 | C25 | C28 | 120.0° | 120.0° |
| C25 | C24 | H5 | 120.1° | 120.0° |
| C24 | C25 | H6 | 120.0° | 120.0° |
| C04 | C03 | C02 | 114.0° | 109.5° |
| C04 | C03 | H19 | 108.4° | 109.5° |
| C04 | C03 | H20 | 108.3° | 109.5° |
| C03 | C04 | H21 | 110.1° | 109.5° |
| C03 | C04 | H22 | 110.2° | 109.5° |
| C26 | C27 | C28 | 120.3° | 120.0° |
| C27 | C26 | H7 | 120.1° | 120.0° |
| C26 | C27 | H8 | 119.8° | 120.0° |
| C25 | C28 | C27 | 120.0° | 120.1° |
| C25 | C28 | C29 | 119.6° | 119.9° |
| C28 | C25 | H6 | 120.0° | 120.0° |
| C27 | C28 | C29 | 120.4° | 120.0° |
| C28 | C27 | H8 | 119.9° | 120.0° |
| C03 | C02 | C01 | 111.8° | 109.5° |
| C03 | C02 | H17 | 108.9° | 109.4° |
| C03 | C02 | H18 | 108.9° | 109.4° |
| C02 | C03 | H19 | 108.3° | 109.5° |
| C02 | C03 | H20 | 108.3° | 109.5° |
| C28 | C29 | N30 | 119.7° | 120.0° |
| C29 | N30 | H27 | 120.0° | 120.0° |
| C29 | N30 | H28 | 120.0° | 120.0° |
| C02 | C01 | H14 | 109.5° | 109.5° |
| C02 | C01 | H15 | 109.5° | 109.5° |
| C02 | C01 | H16 | 109.5° | 109.5° |
| C01 | C02 | H17 | 108.9° | 109.5° |
| C01 | C02 | H18 | 108.9° | 109.5° |
| H1 | C13 | H2 | 109.5° | 109.5° |
| H9 | C17 | H10 | 109.4° | 109.5° |
| H12 | C19 | H13 | 109.5° | 110.9° |
| H14 | C01 | H15 | 109.5° | 109.5° |
| H14 | C01 | H16 | 109.5° | 109.4° |
| H15 | C01 | H16 | 109.4° | 109.5° |
| H17 | C02 | H18 | 109.5° | 109.5° |
| H19 | C03 | H20 | 109.5° | 109.4° |
| H21 | C04 | H22 | 109.5° | 109.5° |
| H27 | N30 | H28 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O11 | C10 | O12 | C09 | 179.7° | 179.7° |
| O11 | C10 | C09 | C13 | 125.1° | 120.0° |
| O11 | C10 | C09 | N08 | 3.7° | 0.0° |
| O11 | C10 | O12 | H3 | 0.0° | 0.3° |
| O11 | C10 | C09 | H23 | 116.7° | 120.0° |
| O12 | C10 | C09 | C13 | 54.6° | 60.3° |
| O12 | C10 | C09 | N08 | 176.0° | 179.7° |
| O12 | C10 | C09 | H23 | 63.6° | 59.8° |
| C10 | C09 | C13 | N14 | 159.1° | 175.0° |
| C10 | C09 | C13 | N08 | 121.1° | 120.0° |
| C10 | C09 | C13 | H23 | 118.2° | 120.0° |
| C10 | C09 | N08 | H23 | 119.7° | 119.9° |
| C10 | C09 | N08 | C06 | 115.1° | 85.0° |
| C10 | C09 | C13 | H1 | 80.6° | 55.0° |
| C10 | C09 | C13 | H2 | 38.6° | 65.0° |
| C09 | C10 | O12 | H3 | 179.7° | 180.0° |
| C10 | C09 | N08 | H24 | 64.9° | 95.0° |
| N14 | C13 | C09 | H1 | 120.4° | 120.0° |
| N14 | C13 | C09 | H2 | 120.4° | 120.0° |
| N14 | C13 | C09 | N08 | 38.0° | 55.0° |
| C13 | N14 | C15 | H25 | 180.0° | 180.0° |
| C13 | N14 | C15 | C17 | 179.8° | 180.0° |
| C13 | N14 | C15 | O16 | 0.3° | 0.0° |
| N14 | C13 | H1 | H2 | 118.8° | 120.0° |
| N14 | C13 | C09 | H23 | 82.7° | 65.0° |
| C13 | C09 | N08 | H23 | 120.0° | 120.0° |
| C13 | C09 | N08 | C06 | 124.6° | 155.0° |
| C09 | C13 | N14 | C15 | 103.1° | 180.0° |
| C09 | C13 | H1 | H2 | 118.8° | 120.0° |
| C13 | C09 | N08 | H24 | 55.4° | 25.1° |
| C09 | C13 | N14 | H25 | 76.8° | 0.0° |
| C09 | N08 | C06 | H24 | 180.0° | 179.9° |
| C09 | N08 | C06 | O07 | 159.3° | 0.1° |
| C09 | N08 | C06 | O05 | 21.5° | 180.0° |
| N08 | C09 | C13 | H1 | 158.4° | 65.0° |
| N08 | C09 | C13 | H2 | 82.4° | 175.0° |
| N08 | C06 | O07 | O05 | 179.2° | 179.9° |
| N08 | C06 | O05 | C04 | 102.5° | 180.0° |
| C06 | N08 | C09 | H23 | 4.6° | 35.0° |
| N14 | C15 | C17 | O16 | 179.9° | 180.0° |
| N14 | C15 | C17 | C18 | 167.9° | 180.0° |
| C15 | N14 | C13 | H1 | 17.3° | 60.0° |
| C15 | N14 | C13 | H2 | 136.5° | 60.0° |
| N14 | C15 | C17 | H9 | 71.7° | 60.0° |
| N14 | C15 | C17 | H10 | 47.5° | 60.0° |
| O07 | C06 | O05 | C04 | 78.3° | 0.1° |
| O07 | C06 | N08 | H24 | 20.7° | 179.9° |
| C06 | O05 | C04 | C03 | 118.7° | 180.0° |
| C06 | O05 | C04 | H21 | 121.8° | 60.0° |
| C06 | O05 | C04 | H22 | 0.9° | 60.0° |
| O05 | C06 | N08 | H24 | 158.5° | 0.0° |
| C15 | C17 | C18 | H9 | 120.4° | 120.0° |
| C15 | C17 | C18 | H10 | 120.4° | 120.0° |
| C15 | C17 | C18 | O20 | 62.5° | 72.5° |
| C15 | C17 | C18 | C19 | 177.1° | 175.0° |
| C15 | C17 | H9 | H10 | 118.8° | 120.0° |
| C15 | C17 | C18 | H11 | 59.6° | 51.2° |
| C17 | C15 | N14 | H25 | 0.3° | 0.0° |
| O16 | C15 | C17 | C18 | 12.2° | 0.0° |
| O16 | C15 | C17 | H9 | 108.2° | 120.0° |
| O16 | C15 | C17 | H10 | 132.6° | 120.0° |
| O16 | C15 | N14 | H25 | 179.7° | 180.0° |
| C17 | C18 | O20 | C19 | 119.3° | 118.2° |
| C17 | C18 | O20 | H11 | 123.0° | 123.7° |
| C17 | C18 | O20 | N21 | 149.5° | 143.6° |
| C17 | C18 | C19 | H11 | 123.8° | 123.8° |
| C17 | C18 | C19 | C22 | 145.3° | 142.3° |
| C18 | C17 | H9 | H10 | 118.7° | 120.0° |
| C17 | C18 | C19 | H12 | 95.7° | 24.1° |
| C17 | C18 | C19 | H13 | 26.3° | 99.4° |
| O20 | C18 | C19 | H11 | 117.2° | 118.0° |
| C18 | O20 | N21 | C22 | 21.9° | 17.6° |
| O20 | C18 | C19 | C22 | 26.3° | 24.0° |
| O20 | C18 | C17 | H9 | 177.1° | 167.5° |
| O20 | C18 | C17 | H10 | 57.9° | 47.5° |
| O20 | C18 | C19 | H12 | 145.4° | 94.2° |
| O20 | C18 | C19 | H13 | 92.7° | 142.4° |
| N21 | O20 | C18 | C19 | 30.2° | 25.3° |
| O20 | N21 | C22 | C19 | 5.7° | 0.6° |
| O20 | N21 | C22 | C23 | 153.9° | 179.7° |
| N21 | O20 | C18 | H11 | 87.4° | 92.7° |
| O05 | C04 | C03 | H21 | 119.6° | 120.0° |
| O05 | C04 | C03 | H22 | 119.6° | 119.9° |
| O05 | C04 | C03 | C02 | 158.0° | 180.0° |
| O05 | C04 | C03 | H19 | 81.3° | 59.9° |
| O05 | C04 | C03 | H20 | 37.4° | 60.0° |
| O05 | C04 | H21 | H22 | 121.2° | 119.9° |
| C18 | C19 | C22 | N21 | 13.9° | 15.1° |
| C18 | C19 | C22 | H12 | 119.0° | 118.2° |
| C18 | C19 | C22 | H13 | 119.0° | 118.3° |
| C18 | C19 | C22 | C23 | 173.2° | 164.6° |
| C19 | C18 | C17 | H9 | 62.5° | 55.0° |
| C19 | C18 | C17 | H10 | 56.6° | 65.0° |
| C18 | C19 | H12 | H13 | 122.9° | 123.5° |
| N21 | C22 | C19 | C23 | 159.3° | 179.7° |
| N21 | C22 | C23 | C24 | 14.7° | 0.3° |
| N21 | C22 | C23 | C26 | 165.1° | 179.4° |
| N21 | C22 | C19 | H12 | 133.0° | 103.1° |
| N21 | C22 | C19 | H13 | 105.1° | 133.4° |
| C19 | C22 | C23 | C24 | 173.3° | 180.0° |
| C19 | C22 | C23 | C26 | 6.6° | 0.3° |
| C22 | C19 | C18 | H11 | 90.9° | 93.9° |
| C22 | C19 | H12 | H13 | 122.8° | 123.4° |
| C22 | C23 | C24 | C26 | 179.8° | 179.8° |
| C22 | C23 | C24 | C25 | 179.9° | 180.0° |
| C22 | C23 | C26 | C27 | 179.9° | 180.0° |
| C22 | C23 | C24 | H5 | 0.1° | 0.0° |
| C22 | C23 | C26 | H7 | 0.1° | 0.0° |
| C23 | C22 | C19 | H12 | 67.8° | 77.2° |
| C23 | C22 | C19 | H13 | 54.2° | 46.3° |
| N31 | C29 | C28 | C25 | 139.1° | 0.1° |
| N31 | C29 | C28 | C27 | 40.8° | 179.8° |
| N31 | C29 | C28 | N30 | 179.9° | 179.9° |
| N31 | C29 | N30 | H27 | 179.9° | 180.0° |
| N31 | C29 | N30 | H28 | 0.1° | 0.1° |
| C23 | C24 | C25 | H5 | 180.0° | 179.9° |
| C24 | C23 | C26 | C27 | 0.1° | 0.3° |
| C23 | C24 | C25 | C28 | 0.1° | 0.1° |
| C23 | C24 | C25 | H6 | 179.9° | 180.0° |
| C24 | C23 | C26 | H7 | 179.9° | 179.8° |
| C26 | C23 | C24 | C25 | 0.1° | 0.2° |
| C23 | C26 | C27 | H7 | 180.0° | 180.0° |
| C23 | C26 | C27 | C28 | 0.1° | 0.0° |
| C26 | C23 | C24 | H5 | 179.9° | 179.7° |
| C23 | C26 | C27 | H8 | 179.9° | 180.0° |
| C24 | C25 | C28 | H6 | 180.0° | 179.9° |
| C24 | C25 | C28 | C27 | 0.0° | 0.3° |
| C24 | C25 | C28 | C29 | 179.9° | 179.9° |
| C04 | C03 | C02 | H19 | 120.7° | 120.0° |
| C04 | C03 | C02 | H20 | 120.6° | 120.0° |
| C04 | C03 | C02 | C01 | 164.3° | 180.0° |
| C04 | C03 | C02 | H17 | 75.3° | 60.0° |
| C04 | C03 | C02 | H18 | 44.0° | 60.1° |
| C04 | C03 | H19 | H20 | 117.9° | 120.0° |
| C03 | C04 | H21 | H22 | 121.3° | 120.1° |
| C26 | C27 | C28 | C25 | 0.1° | 0.3° |
| C26 | C27 | C28 | H8 | 180.0° | 179.9° |
| C26 | C27 | C28 | C29 | 179.9° | 180.0° |
| C25 | C28 | C27 | C29 | 179.9° | 179.7° |
| C25 | C28 | C29 | N30 | 40.8° | 180.0° |
| C28 | C25 | C24 | H5 | 179.9° | 180.0° |
| C25 | C28 | C27 | H8 | 179.9° | 179.7° |
| C27 | C28 | C29 | N30 | 139.3° | 0.3° |
| C27 | C28 | C25 | H6 | 180.0° | 179.8° |
| C28 | C27 | C26 | H7 | 179.9° | 180.0° |
| C03 | C02 | C01 | H17 | 120.3° | 120.0° |
| C03 | C02 | C01 | H18 | 120.4° | 119.9° |
| C03 | C02 | C01 | H14 | 180.0° | 179.9° |
| C03 | C02 | C01 | H15 | 60.0° | 60.0° |
| C03 | C02 | C01 | H16 | 60.0° | 60.0° |
| C03 | C02 | H17 | H18 | 118.9° | 120.0° |
| C02 | C03 | H19 | H20 | 118.0° | 120.0° |
| C02 | C03 | C04 | H21 | 38.4° | 60.0° |
| C02 | C03 | C04 | H22 | 82.4° | 60.0° |
| C29 | C28 | C25 | H6 | 0.1° | 0.1° |
| C29 | C28 | C27 | H8 | 0.2° | 0.1° |
| C28 | C29 | N30 | H27 | 0.0° | 0.0° |
| C28 | C29 | N30 | H28 | 180.0° | 180.0° |
| C28 | C29 | N31 | H29 | 179.9° | 180.0° |
| C29 | N30 | H27 | H28 | 180.0° | 180.0° |
| N30 | C29 | N31 | H29 | 0.0° | 0.1° |
| C02 | C01 | H14 | H15 | 120.0° | 120.1° |
| C02 | C01 | H14 | H16 | 120.0° | 119.9° |
| C02 | C01 | H15 | H16 | 120.0° | 120.0° |
| C01 | C02 | H17 | H18 | 118.9° | 120.0° |
| C01 | C02 | C03 | H19 | 43.6° | 60.0° |
| C01 | C02 | C03 | H20 | 75.0° | 60.0° |
| H1 | C13 | C09 | H23 | 37.7° | 175.0° |
| H1 | C13 | N14 | H25 | 162.8° | 120.0° |
| H2 | C13 | C09 | H23 | 156.9° | 55.0° |
| H2 | C13 | N14 | H25 | 43.6° | 120.0° |
| H5 | C24 | C25 | H6 | 0.1° | 0.1° |
| H7 | C26 | C27 | H8 | 0.1° | 0.1° |
| H9 | C17 | C18 | H11 | 60.8° | 68.8° |
| H10 | C17 | C18 | H11 | 179.9° | 171.1° |
| H11 | C18 | C19 | H12 | 28.1° | 147.9° |
| H11 | C18 | C19 | H13 | 150.1° | 24.4° |
| H14 | C01 | H15 | H16 | 120.0° | 119.9° |
| H14 | C01 | C02 | H17 | 59.7° | 60.1° |
| H14 | C01 | C02 | H18 | 59.6° | 60.0° |
| H15 | C01 | C02 | H17 | 179.7° | 60.0° |
| H15 | C01 | C02 | H18 | 60.4° | 180.0° |
| H16 | C01 | C02 | H17 | 60.4° | 180.0° |
| H16 | C01 | C02 | H18 | 179.7° | 59.9° |
| H17 | C02 | C03 | H19 | 164.0° | 180.0° |
| H17 | C02 | C03 | H20 | 45.3° | 60.0° |
| H18 | C02 | C03 | H19 | 76.7° | 60.0° |
| H18 | C02 | C03 | H20 | 164.6° | 180.0° |
| H19 | C03 | C04 | H21 | 159.1° | 180.0° |
| H19 | C03 | C04 | H22 | 38.3° | 60.0° |
| H20 | C03 | C04 | H21 | 82.2° | 60.0° |
| H20 | C03 | C04 | H22 | 156.9° | 179.9° |
| H23 | C09 | N08 | H24 | 175.4° | 145.1° |
