Q6P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O05 | C04 | sing | 1.43Å | 1.39Å | |
| C04 | C03 | sing | 1.53Å | 1.58Å | |
| C04 | O06 | sing | 1.43Å | 1.39Å | |
| C04 | C07 | sing | 1.53Å | 1.54Å | |
| C03 | O02 | sing | 1.43Å | 1.39Å | |
| C13 | C14 | sing | 1.53Å | 1.56Å | |
| C13 | N12 | sing | 1.47Å | 1.50Å | |
| C14 | C15 | sing | 1.53Å | 1.56Å | |
| C15 | N16 | sing | 1.47Å | 1.48Å | |
| C11 | N12 | sing | 1.47Å | 1.50Å | |
| C11 | C10 | sing | 1.53Å | 1.56Å | |
| C07 | C08 | sing | 1.53Å | 1.55Å | |
| C09 | C08 | sing | 1.53Å | 1.55Å | |
| C09 | C10 | sing | 1.53Å | 1.55Å | |
| C01 | O02 | sing | 1.43Å | 1.39Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C01 | H11 | sing | 1.09Å | 1.10Å | |
| C01 | H12 | sing | 1.09Å | 1.10Å | |
| C01 | H13 | sing | 1.09Å | 1.10Å | |
| C03 | H14 | sing | 1.09Å | 1.10Å | |
| C03 | H15 | sing | 1.09Å | 1.10Å | |
| C07 | H16 | sing | 1.09Å | 1.10Å | |
| C07 | H17 | sing | 1.09Å | 1.10Å | |
| C08 | H18 | sing | 1.09Å | 1.10Å | |
| C08 | H19 | sing | 1.09Å | 1.10Å | |
| C09 | H20 | sing | 1.09Å | 1.10Å | |
| C09 | H21 | sing | 1.09Å | 1.10Å | |
| N12 | H22 | sing | 1.01Å | 1.00Å | |
| N16 | H24 | sing | 1.01Å | 1.00Å | |
| N16 | H25 | sing | 1.01Å | 1.00Å | |
| O05 | H27 | sing | 0.97Å | 0.95Å | |
| O06 | H28 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O05 | C04 | C03 | 109.5° | 109.5° |
| O05 | C04 | O06 | 110.7° | 109.5° |
| O05 | C04 | C07 | 113.8° | 109.5° |
| C04 | O05 | H27 | 109.5° | 114.0° |
| C03 | C04 | O06 | 111.5° | 109.5° |
| C03 | C04 | C07 | 101.9° | 109.5° |
| C04 | C03 | O02 | 107.9° | 109.4° |
| C04 | C03 | H14 | 109.9° | 109.5° |
| C04 | C03 | H15 | 109.9° | 109.5° |
| O06 | C04 | C07 | 109.1° | 109.4° |
| C04 | O06 | H28 | 109.5° | 114.0° |
| C04 | C07 | C08 | 113.3° | 109.5° |
| C04 | C07 | H16 | 108.5° | 109.5° |
| C04 | C07 | H17 | 108.5° | 109.4° |
| C03 | O02 | C01 | 111.9° | 114.0° |
| O02 | C03 | H14 | 109.9° | 109.5° |
| O02 | C03 | H15 | 109.9° | 109.5° |
| C14 | C13 | N12 | 112.4° | 109.5° |
| C13 | C14 | C15 | 114.0° | 109.5° |
| C14 | C13 | H5 | 108.8° | 109.5° |
| C14 | C13 | H6 | 108.7° | 109.5° |
| C13 | C14 | H7 | 108.3° | 109.5° |
| C13 | C14 | H8 | 108.3° | 109.5° |
| C13 | N12 | C11 | 113.3° | 111.0° |
| N12 | C13 | H5 | 108.7° | 109.5° |
| N12 | C13 | H6 | 108.7° | 109.4° |
| C13 | N12 | H22 | 108.5° | 111.1° |
| C14 | C15 | N16 | 112.1° | 109.5° |
| C15 | C14 | H7 | 108.3° | 109.4° |
| C15 | C14 | H8 | 108.3° | 109.5° |
| C14 | C15 | H9 | 108.8° | 109.5° |
| C14 | C15 | H10 | 108.8° | 109.5° |
| N16 | C15 | H9 | 108.8° | 109.4° |
| N16 | C15 | H10 | 108.8° | 109.5° |
| C15 | N16 | H24 | 109.5° | 111.0° |
| C15 | N16 | H25 | 109.4° | 110.9° |
| N12 | C11 | C10 | 113.5° | 109.5° |
| N12 | C11 | H3 | 108.5° | 109.4° |
| N12 | C11 | H4 | 108.5° | 109.5° |
| C11 | N12 | H22 | 108.5° | 111.0° |
| C11 | C10 | C09 | 114.3° | 109.5° |
| C11 | C10 | H1 | 108.2° | 109.5° |
| C11 | C10 | H2 | 108.2° | 109.5° |
| C10 | C11 | H3 | 108.5° | 109.5° |
| C10 | C11 | H4 | 108.5° | 109.5° |
| C07 | C08 | C09 | 114.5° | 109.5° |
| C08 | C07 | H16 | 108.5° | 109.5° |
| C08 | C07 | H17 | 108.5° | 109.5° |
| C07 | C08 | H18 | 108.2° | 109.5° |
| C07 | C08 | H19 | 108.2° | 109.5° |
| C08 | C09 | C10 | 115.8° | 109.5° |
| C09 | C08 | H18 | 108.2° | 109.5° |
| C09 | C08 | H19 | 108.2° | 109.5° |
| C08 | C09 | H20 | 107.9° | 109.4° |
| C08 | C09 | H21 | 107.9° | 109.5° |
| C09 | C10 | H1 | 108.3° | 109.5° |
| C09 | C10 | H2 | 108.3° | 109.5° |
| C10 | C09 | H20 | 107.9° | 109.4° |
| C10 | C09 | H21 | 107.9° | 109.5° |
| O02 | C01 | H11 | 109.5° | 109.5° |
| O02 | C01 | H12 | 109.4° | 109.4° |
| O02 | C01 | H13 | 109.5° | 109.5° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H3 | C11 | H4 | 109.5° | 109.5° |
| H5 | C13 | H6 | 109.4° | 109.5° |
| H7 | C14 | H8 | 109.5° | 109.4° |
| H9 | C15 | H10 | 109.5° | 109.5° |
| H11 | C01 | H12 | 109.5° | 109.5° |
| H11 | C01 | H13 | 109.5° | 109.5° |
| H12 | C01 | H13 | 109.5° | 109.4° |
| H14 | C03 | H15 | 109.4° | 109.5° |
| H16 | C07 | H17 | 109.5° | 109.5° |
| H18 | C08 | H19 | 109.5° | 109.4° |
| H20 | C09 | H21 | 109.5° | 109.5° |
| H24 | N16 | H25 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O05 | C04 | C03 | O06 | 122.9° | 120.0° |
| O05 | C04 | C03 | C07 | 120.8° | 120.0° |
| O05 | C04 | O06 | C07 | 125.9° | 120.0° |
| O05 | C04 | C03 | O02 | 173.4° | 60.0° |
| O05 | C04 | C07 | C08 | 63.5° | 60.0° |
| O05 | C04 | C03 | H14 | 66.8° | 60.0° |
| O05 | C04 | C03 | H15 | 53.6° | 180.0° |
| O05 | C04 | C07 | H16 | 57.1° | 180.0° |
| O05 | C04 | C07 | H17 | 175.9° | 60.0° |
| O05 | C04 | O06 | H28 | 180.0° | 180.0° |
| C03 | C04 | O06 | C07 | 111.8° | 120.0° |
| C04 | C03 | O02 | H14 | 119.8° | 120.0° |
| C04 | C03 | O02 | H15 | 119.8° | 120.0° |
| C03 | C04 | C07 | C08 | 178.7° | 180.0° |
| C04 | C03 | O02 | C01 | 107.2° | 180.0° |
| C04 | C03 | H14 | H15 | 120.7° | 120.0° |
| C03 | C04 | C07 | H16 | 60.8° | 59.9° |
| C03 | C04 | C07 | H17 | 58.1° | 60.0° |
| C03 | C04 | O05 | H27 | 180.0° | 60.0° |
| C03 | C04 | O06 | H28 | 57.8° | 60.0° |
| O06 | C04 | C03 | O02 | 50.6° | 60.0° |
| O06 | C04 | C07 | C08 | 60.6° | 60.0° |
| O06 | C04 | C03 | H14 | 170.3° | 180.0° |
| O06 | C04 | C03 | H15 | 69.2° | 60.0° |
| O06 | C04 | C07 | H16 | 178.8° | 60.0° |
| O06 | C04 | C07 | H17 | 60.0° | 180.0° |
| O06 | C04 | O05 | H27 | 56.6° | 180.0° |
| C07 | C04 | C03 | O02 | 65.7° | 180.0° |
| C04 | C07 | C08 | H16 | 120.6° | 120.0° |
| C04 | C07 | C08 | H17 | 120.6° | 119.9° |
| C04 | C07 | C08 | C09 | 124.7° | 180.0° |
| C07 | C04 | C03 | H14 | 54.0° | 60.0° |
| C07 | C04 | C03 | H15 | 174.5° | 60.0° |
| C04 | C07 | H16 | H17 | 118.2° | 119.9° |
| C04 | C07 | C08 | H18 | 114.5° | 59.9° |
| C04 | C07 | C08 | H19 | 4.0° | 60.0° |
| C07 | C04 | O05 | H27 | 66.7° | 60.1° |
| C07 | C04 | O06 | H28 | 54.1° | 60.0° |
| C03 | O02 | C01 | H11 | 180.0° | 180.0° |
| C03 | O02 | C01 | H12 | 60.0° | 60.0° |
| C03 | O02 | C01 | H13 | 60.0° | 59.9° |
| O02 | C03 | H14 | H15 | 120.8° | 120.1° |
| C14 | C13 | N12 | H5 | 120.5° | 120.0° |
| C14 | C13 | N12 | H6 | 120.4° | 119.9° |
| C13 | C14 | C15 | H7 | 120.7° | 120.0° |
| C13 | C14 | C15 | H8 | 120.7° | 120.1° |
| C13 | C14 | C15 | N16 | 122.5° | 180.0° |
| C14 | C13 | N12 | C11 | 93.0° | 180.0° |
| C14 | C13 | H5 | H6 | 118.7° | 120.0° |
| C13 | C14 | H7 | H8 | 117.9° | 120.1° |
| C13 | C14 | C15 | H9 | 117.1° | 60.1° |
| C13 | C14 | C15 | H10 | 2.1° | 60.0° |
| C14 | C13 | N12 | H22 | 27.5° | 56.0° |
| N12 | C13 | C14 | C15 | 103.2° | 180.0° |
| C13 | N12 | C11 | H22 | 120.6° | 124.0° |
| C13 | N12 | C11 | C10 | 160.6° | 180.0° |
| C13 | N12 | C11 | H3 | 40.0° | 60.0° |
| C13 | N12 | C11 | H4 | 78.8° | 59.9° |
| N12 | C13 | H5 | H6 | 118.7° | 120.0° |
| N12 | C13 | C14 | H7 | 17.5° | 60.0° |
| N12 | C13 | C14 | H8 | 136.2° | 59.9° |
| C14 | C15 | N16 | H9 | 120.4° | 120.0° |
| C14 | C15 | N16 | H10 | 120.4° | 120.1° |
| C15 | C14 | C13 | H5 | 17.3° | 60.0° |
| C15 | C14 | C13 | H6 | 136.4° | 60.1° |
| C15 | C14 | H7 | H8 | 117.9° | 120.0° |
| C14 | C15 | H9 | H10 | 118.8° | 120.1° |
| C14 | C15 | N16 | H24 | 180.0° | 180.0° |
| C14 | C15 | N16 | H25 | 60.0° | 56.0° |
| N16 | C15 | C14 | H7 | 1.9° | 60.0° |
| N16 | C15 | C14 | H8 | 116.8° | 59.9° |
| N16 | C15 | H9 | H10 | 118.8° | 120.0° |
| C15 | N16 | H24 | H25 | 120.0° | 123.9° |
| N12 | C11 | C10 | H3 | 120.6° | 119.9° |
| N12 | C11 | C10 | H4 | 120.6° | 120.1° |
| N12 | C11 | C10 | C09 | 116.2° | 180.0° |
| N12 | C11 | C10 | H1 | 123.0° | 59.9° |
| N12 | C11 | C10 | H2 | 4.5° | 60.1° |
| N12 | C11 | H3 | H4 | 118.2° | 120.0° |
| C11 | N12 | C13 | H5 | 146.5° | 59.9° |
| C11 | N12 | C13 | H6 | 27.4° | 60.1° |
| C11 | C10 | C09 | C08 | 119.7° | 180.0° |
| C11 | C10 | C09 | H1 | 120.7° | 120.0° |
| C11 | C10 | C09 | H2 | 120.7° | 120.0° |
| C11 | C10 | H1 | H2 | 117.8° | 120.0° |
| C10 | C11 | H3 | H4 | 118.2° | 120.0° |
| C11 | C10 | C09 | H20 | 1.3° | 60.0° |
| C11 | C10 | C09 | H21 | 119.4° | 60.0° |
| C10 | C11 | N12 | H22 | 78.8° | 56.0° |
| C07 | C08 | C09 | H18 | 120.7° | 120.0° |
| C07 | C08 | C09 | H19 | 120.7° | 120.0° |
| C07 | C08 | C09 | C10 | 148.3° | 180.0° |
| C08 | C07 | H16 | H17 | 118.2° | 120.0° |
| C07 | C08 | H18 | H19 | 117.7° | 119.9° |
| C07 | C08 | C09 | H20 | 90.8° | 60.1° |
| C07 | C08 | C09 | H21 | 27.4° | 60.0° |
| C08 | C09 | C10 | H20 | 120.9° | 119.9° |
| C08 | C09 | C10 | H21 | 120.9° | 120.0° |
| C08 | C09 | C10 | H1 | 1.0° | 60.0° |
| C08 | C09 | C10 | H2 | 119.6° | 60.0° |
| C09 | C08 | C07 | H16 | 4.1° | 60.0° |
| C09 | C08 | C07 | H17 | 114.7° | 60.1° |
| C09 | C08 | H18 | H19 | 117.7° | 120.0° |
| C08 | C09 | H20 | H21 | 117.1° | 120.1° |
| C09 | C10 | H1 | H2 | 117.8° | 120.0° |
| C09 | C10 | C11 | H3 | 4.4° | 60.0° |
| C09 | C10 | C11 | H4 | 123.2° | 60.0° |
| C10 | C09 | C08 | H18 | 27.6° | 60.0° |
| C10 | C09 | C08 | H19 | 91.0° | 60.0° |
| C10 | C09 | H20 | H21 | 117.1° | 120.0° |
| O02 | C01 | H11 | H12 | 120.0° | 120.0° |
| O02 | C01 | H11 | H13 | 120.0° | 120.1° |
| O02 | C01 | H12 | H13 | 120.0° | 120.0° |
| C01 | O02 | C03 | H14 | 133.0° | 60.1° |
| C01 | O02 | C03 | H15 | 12.6° | 60.0° |
| H1 | C10 | C11 | H3 | 116.4° | 60.0° |
| H1 | C10 | C11 | H4 | 2.5° | 180.0° |
| H1 | C10 | C09 | H20 | 122.0° | 179.9° |
| H1 | C10 | C09 | H21 | 119.9° | 60.0° |
| H2 | C10 | C11 | H3 | 125.1° | 180.0° |
| H2 | C10 | C11 | H4 | 116.1° | 60.0° |
| H2 | C10 | C09 | H20 | 119.4° | 60.0° |
| H2 | C10 | C09 | H21 | 1.3° | 180.0° |
| H3 | C11 | N12 | H22 | 160.6° | 64.0° |
| H4 | C11 | N12 | H22 | 41.7° | 176.0° |
| H5 | C13 | C14 | H7 | 137.9° | 60.0° |
| H5 | C13 | C14 | H8 | 103.4° | 180.0° |
| H5 | C13 | N12 | H22 | 92.9° | 176.1° |
| H6 | C13 | C14 | H7 | 102.9° | 180.0° |
| H6 | C13 | C14 | H8 | 15.7° | 60.0° |
| H6 | C13 | N12 | H22 | 148.0° | 63.9° |
| H7 | C14 | C15 | H9 | 122.2° | 179.9° |
| H7 | C14 | C15 | H10 | 118.5° | 60.0° |
| H8 | C14 | C15 | H9 | 3.6° | 60.0° |
| H8 | C14 | C15 | H10 | 122.8° | 179.9° |
| H9 | C15 | N16 | H24 | 59.6° | 60.0° |
| H9 | C15 | N16 | H25 | 179.6° | 176.0° |
| H10 | C15 | N16 | H24 | 59.6° | 59.9° |
| H10 | C15 | N16 | H25 | 60.4° | 64.0° |
| H11 | C01 | H12 | H13 | 120.0° | 120.0° |
| H16 | C07 | C08 | H18 | 124.9° | 180.0° |
| H16 | C07 | C08 | H19 | 116.6° | 60.0° |
| H17 | C07 | C08 | H18 | 6.0° | 60.0° |
| H17 | C07 | C08 | H19 | 124.5° | 179.9° |
| H18 | C08 | C09 | H20 | 148.5° | 60.0° |
| H18 | C08 | C09 | H21 | 93.4° | 180.0° |
| H19 | C08 | C09 | H20 | 30.0° | 179.9° |
| H19 | C08 | C09 | H21 | 148.1° | 60.0° |
