9Z6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O09 | P06 | doub | 1.48Å | 1.47Å | |
| O07 | P06 | sing | 1.61Å | 1.46Å | |
| P06 | O08 | sing | 1.61Å | 1.64Å | |
| P06 | O05 | sing | 1.61Å | 1.63Å | |
| C04 | O05 | sing | 1.43Å | 1.40Å | |
| C04 | C02 | sing | 1.53Å | 1.53Å | |
| C10 | O32 | sing | 1.43Å | 1.41Å | |
| C10 | C02 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.51Å | 1.52Å | |
| O31 | C29 | doub | 1.21Å | 1.26Å | |
| N13 | C11 | sing | 1.35Å | 1.44Å | |
| N13 | C14 | sing | 1.46Å | 1.44Å | |
| C01 | C02 | sing | 1.53Å | 1.56Å | |
| S24 | S25 | sing | 2.05Å | 2.10Å | |
| S24 | C23 | sing | 1.81Å | 1.81Å | |
| S25 | C26 | sing | 1.82Å | 1.83Å | |
| C02 | C03 | sing | 1.53Å | 1.54Å | |
| C11 | O12 | doub | 1.21Å | 1.19Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C29 | O30 | sing | 1.34Å | 1.26Å | |
| C29 | C27 | sing | 1.51Å | 1.53Å | |
| C15 | C16 | sing | 1.51Å | 1.53Å | |
| C23 | C19 | sing | 1.53Å | 1.53Å | |
| C16 | N18 | sing | 1.35Å | 1.46Å | |
| C16 | O17 | doub | 1.21Å | 1.18Å | |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| N18 | C19 | sing | 1.46Å | 1.45Å | |
| C27 | N28 | sing | 1.47Å | 1.45Å | |
| C19 | C20 | sing | 1.51Å | 1.54Å | |
| C20 | O21 | doub | 1.21Å | 1.26Å | |
| C20 | O22 | sing | 1.34Å | 1.26Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| O07 | H9 | sing | 0.97Å | 0.95Å | |
| O08 | H10 | sing | 0.97Å | 0.95Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| N13 | H12 | sing | 0.97Å | 1.00Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| N18 | H17 | sing | 0.97Å | 1.00Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| O22 | H19 | sing | 0.97Å | 0.95Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C26 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| N28 | H25 | sing | 1.01Å | 1.00Å | |
| N28 | H26 | sing | 1.01Å | 1.00Å | |
| O30 | H28 | sing | 0.97Å | 0.95Å | |
| O32 | H29 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O09 | P06 | O07 | 104.3° | 109.5° |
| O09 | P06 | O08 | 111.6° | 109.5° |
| O09 | P06 | O05 | 110.9° | 109.5° |
| O07 | P06 | O08 | 113.3° | 109.5° |
| O07 | P06 | O05 | 109.2° | 109.5° |
| P06 | O07 | H9 | 109.5° | 114.0° |
| O08 | P06 | O05 | 107.6° | 109.4° |
| P06 | O08 | H10 | 109.5° | 114.1° |
| P06 | O05 | C04 | 114.7° | 123.0° |
| O05 | C04 | C02 | 109.1° | 109.5° |
| O05 | C04 | H7 | 109.5° | 109.5° |
| O05 | C04 | H8 | 109.6° | 109.4° |
| C04 | C02 | C10 | 105.8° | 109.4° |
| C04 | C02 | C01 | 108.0° | 109.5° |
| C04 | C02 | C03 | 108.8° | 109.4° |
| C02 | C04 | H7 | 109.6° | 109.5° |
| C02 | C04 | H8 | 109.6° | 109.5° |
| O32 | C10 | C02 | 112.7° | 109.5° |
| O32 | C10 | C11 | 107.8° | 109.5° |
| O32 | C10 | H11 | 109.3° | 109.4° |
| C10 | O32 | H29 | 109.5° | 113.9° |
| C02 | C10 | C11 | 111.4° | 109.5° |
| C10 | C02 | C01 | 112.2° | 109.5° |
| C10 | C02 | C03 | 110.1° | 109.5° |
| C02 | C10 | H11 | 107.7° | 109.4° |
| C10 | C11 | N13 | 116.3° | 120.0° |
| C10 | C11 | O12 | 121.9° | 120.0° |
| C11 | C10 | H11 | 107.8° | 109.5° |
| O31 | C29 | O30 | 132.5° | 120.0° |
| O31 | C29 | C27 | 112.3° | 120.0° |
| C11 | N13 | C14 | 120.7° | 120.0° |
| N13 | C11 | O12 | 121.8° | 120.0° |
| C11 | N13 | H12 | 119.6° | 120.0° |
| N13 | C14 | C15 | 110.5° | 109.5° |
| C14 | N13 | H12 | 119.7° | 120.0° |
| N13 | C14 | H13 | 109.2° | 109.5° |
| N13 | C14 | H14 | 109.2° | 109.5° |
| C01 | C02 | C03 | 111.7° | 109.5° |
| C02 | C01 | H1 | 109.5° | 109.4° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| S25 | S24 | C23 | 107.2° | 103.0° |
| S24 | S25 | C26 | 114.3° | 103.0° |
| S24 | C23 | C19 | 111.8° | 109.5° |
| S24 | C23 | H20 | 108.9° | 109.5° |
| S24 | C23 | H21 | 108.9° | 109.5° |
| S25 | C26 | C27 | 113.4° | 109.5° |
| S25 | C26 | H22 | 108.5° | 109.4° |
| S25 | C26 | H23 | 108.5° | 109.4° |
| C02 | C03 | H4 | 109.5° | 109.5° |
| C02 | C03 | H5 | 109.5° | 109.5° |
| C02 | C03 | H6 | 109.4° | 109.4° |
| C14 | C15 | C16 | 114.9° | 109.5° |
| C15 | C14 | H13 | 109.2° | 109.5° |
| C15 | C14 | H14 | 109.2° | 109.5° |
| C14 | C15 | H15 | 108.1° | 109.4° |
| C14 | C15 | H16 | 108.1° | 109.4° |
| O30 | C29 | C27 | 115.2° | 120.0° |
| C29 | O30 | H28 | 109.5° | 117.0° |
| C29 | C27 | C26 | 111.4° | 109.5° |
| C29 | C27 | N28 | 112.1° | 109.4° |
| C29 | C27 | H24 | 108.6° | 109.5° |
| C15 | C16 | N18 | 117.8° | 120.0° |
| C15 | C16 | O17 | 120.4° | 120.0° |
| C16 | C15 | H15 | 108.1° | 109.5° |
| C16 | C15 | H16 | 108.1° | 109.5° |
| C23 | C19 | N18 | 106.9° | 109.5° |
| C23 | C19 | C20 | 109.9° | 109.5° |
| C23 | C19 | H18 | 109.1° | 109.5° |
| C19 | C23 | H20 | 108.9° | 109.4° |
| C19 | C23 | H21 | 108.9° | 109.5° |
| N18 | C16 | O17 | 121.8° | 120.0° |
| C16 | N18 | C19 | 124.3° | 120.0° |
| C16 | N18 | H17 | 117.9° | 120.0° |
| C26 | C27 | N28 | 106.1° | 109.5° |
| C27 | C26 | H22 | 108.5° | 109.5° |
| C27 | C26 | H23 | 108.5° | 109.5° |
| C26 | C27 | H24 | 108.8° | 109.5° |
| N18 | C19 | C20 | 111.7° | 109.5° |
| C19 | N18 | H17 | 117.8° | 120.0° |
| N18 | C19 | H18 | 110.2° | 109.4° |
| N28 | C27 | H24 | 109.7° | 109.4° |
| C27 | N28 | H25 | 109.5° | 111.0° |
| C27 | N28 | H26 | 109.5° | 111.1° |
| C19 | C20 | O21 | 122.1° | 120.0° |
| C19 | C20 | O22 | 123.2° | 120.0° |
| C20 | C19 | H18 | 109.0° | 109.5° |
| O21 | C20 | O22 | 114.7° | 120.0° |
| C20 | O22 | H19 | 109.5° | 117.0° |
| H1 | C01 | H2 | 109.4° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.6° |
| H4 | C03 | H5 | 109.5° | 109.4° |
| H4 | C03 | H6 | 109.5° | 109.5° |
| H5 | C03 | H6 | 109.5° | 109.5° |
| H7 | C04 | H8 | 109.5° | 109.5° |
| H13 | C14 | H14 | 109.4° | 109.4° |
| H15 | C15 | H16 | 109.5° | 109.5° |
| H20 | C23 | H21 | 109.4° | 109.5° |
| H22 | C26 | H23 | 109.5° | 109.5° |
| H25 | N28 | H26 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O09 | P06 | O07 | O08 | 121.6° | 120.0° |
| O09 | P06 | O07 | O05 | 118.5° | 120.0° |
| O09 | P06 | O08 | O05 | 121.9° | 120.0° |
| O09 | P06 | O05 | C04 | 68.4° | 55.0° |
| O09 | P06 | O07 | H9 | 0.0° | 60.0° |
| O09 | P06 | O08 | H10 | 0.0° | 180.0° |
| O07 | P06 | O08 | O05 | 120.8° | 120.0° |
| O07 | P06 | O05 | C04 | 45.9° | 175.0° |
| O07 | P06 | O08 | H10 | 117.3° | 60.0° |
| O08 | P06 | O05 | C04 | 169.3° | 65.1° |
| O08 | P06 | O07 | H9 | 121.6° | 60.0° |
| P06 | O05 | C04 | C02 | 157.1° | 180.0° |
| P06 | O05 | C04 | H7 | 37.1° | 60.0° |
| P06 | O05 | C04 | H8 | 83.0° | 60.0° |
| O05 | P06 | O07 | H9 | 118.5° | 180.0° |
| O05 | P06 | O08 | H10 | 121.9° | 60.0° |
| O05 | C04 | C02 | H7 | 119.9° | 120.0° |
| O05 | C04 | C02 | H8 | 119.9° | 119.9° |
| O05 | C04 | C02 | C10 | 180.0° | 180.0° |
| O05 | C04 | C02 | C01 | 59.7° | 59.9° |
| O05 | C04 | C02 | C03 | 61.7° | 60.0° |
| O05 | C04 | H7 | H8 | 120.2° | 119.9° |
| C04 | C02 | C10 | O32 | 60.7° | 65.8° |
| C04 | C02 | C10 | C01 | 117.5° | 120.0° |
| C04 | C02 | C10 | C03 | 117.4° | 119.9° |
| C04 | C02 | C10 | C11 | 178.0° | 54.3° |
| C04 | C02 | C01 | C03 | 119.7° | 120.0° |
| C04 | C02 | C01 | H1 | 180.0° | 176.6° |
| C04 | C02 | C01 | H2 | 60.0° | 56.6° |
| C04 | C02 | C01 | H3 | 60.0° | 63.5° |
| C04 | C02 | C03 | H4 | 180.0° | 53.6° |
| C04 | C02 | C03 | H5 | 60.0° | 66.4° |
| C04 | C02 | C03 | H6 | 60.0° | 173.6° |
| C02 | C04 | H7 | H8 | 120.2° | 120.0° |
| C04 | C02 | C10 | H11 | 60.0° | 174.3° |
| O32 | C10 | C02 | C11 | 121.3° | 120.0° |
| O32 | C10 | C02 | H11 | 120.7° | 119.9° |
| O32 | C10 | C11 | H11 | 117.9° | 120.0° |
| O32 | C10 | C11 | N13 | 139.4° | 171.5° |
| O32 | C10 | C02 | C01 | 178.2° | 54.2° |
| O32 | C10 | C02 | C03 | 56.7° | 174.3° |
| O32 | C10 | C11 | O12 | 40.7° | 8.1° |
| C02 | C10 | C11 | H11 | 118.0° | 120.0° |
| C02 | C10 | C11 | N13 | 96.5° | 68.4° |
| C10 | C02 | C01 | C03 | 124.2° | 120.0° |
| C02 | C10 | C11 | O12 | 83.4° | 111.9° |
| C10 | C02 | C01 | H1 | 63.8° | 63.4° |
| C10 | C02 | C01 | H2 | 176.2° | 176.6° |
| C10 | C02 | C01 | H3 | 56.2° | 56.5° |
| C10 | C02 | C03 | H4 | 64.5° | 66.4° |
| C10 | C02 | C03 | H5 | 55.5° | 173.6° |
| C10 | C02 | C03 | H6 | 175.5° | 53.7° |
| C10 | C02 | C04 | H7 | 60.1° | 60.0° |
| C10 | C02 | C04 | H8 | 60.0° | 60.1° |
| C02 | C10 | O32 | H29 | 107.2° | 60.1° |
| C10 | C11 | N13 | O12 | 179.8° | 179.7° |
| C10 | C11 | N13 | C14 | 179.6° | 175.9° |
| C11 | C10 | C02 | C01 | 60.5° | 174.3° |
| C11 | C10 | C02 | C03 | 64.6° | 65.7° |
| C10 | C11 | N13 | H12 | 0.4° | 4.1° |
| C11 | C10 | O32 | H29 | 16.1° | 60.0° |
| O31 | C29 | O30 | C27 | 179.5° | 180.0° |
| O31 | C29 | C27 | C26 | 90.7° | 100.0° |
| O31 | C29 | C27 | N28 | 150.5° | 20.0° |
| O31 | C29 | C27 | H24 | 29.1° | 140.0° |
| O31 | C29 | O30 | H28 | 0.0° | 0.0° |
| C11 | N13 | C14 | H12 | 180.0° | 180.0° |
| C11 | N13 | C14 | C15 | 94.4° | 180.0° |
| N13 | C11 | C10 | H11 | 21.5° | 51.5° |
| C11 | N13 | C14 | H13 | 145.4° | 59.9° |
| C11 | N13 | C14 | H14 | 25.7° | 60.0° |
| C14 | N13 | C11 | O12 | 0.6° | 4.5° |
| N13 | C14 | C15 | H13 | 120.2° | 120.0° |
| N13 | C14 | C15 | H14 | 120.2° | 120.0° |
| N13 | C14 | C15 | C16 | 156.8° | 180.0° |
| N13 | C14 | H13 | H14 | 119.5° | 120.0° |
| N13 | C14 | C15 | H15 | 82.4° | 60.0° |
| N13 | C14 | C15 | H16 | 36.0° | 60.0° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 119.9° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | C03 | H4 | 60.8° | 173.5° |
| C01 | C02 | C03 | H5 | 179.1° | 53.6° |
| C01 | C02 | C03 | H6 | 59.2° | 66.4° |
| C01 | C02 | C04 | H7 | 60.2° | 180.0° |
| C01 | C02 | C04 | H8 | 179.7° | 60.0° |
| C01 | C02 | C10 | H11 | 57.6° | 65.7° |
| S25 | S24 | C23 | C19 | 119.4° | 70.0° |
| S24 | S25 | C26 | C27 | 118.8° | 70.0° |
| S25 | S24 | C23 | H20 | 1.0° | 50.0° |
| S25 | S24 | C23 | H21 | 120.2° | 170.0° |
| S24 | S25 | C26 | H22 | 120.7° | 50.0° |
| S24 | S25 | C26 | H23 | 1.8° | 170.0° |
| C23 | S24 | S25 | C26 | 15.0° | 85.0° |
| S24 | C23 | C19 | H20 | 120.3° | 120.0° |
| S24 | C23 | C19 | H21 | 120.4° | 120.0° |
| S24 | C23 | C19 | N18 | 94.2° | 60.0° |
| S24 | C23 | C19 | C20 | 144.4° | 180.0° |
| S24 | C23 | C19 | H18 | 24.9° | 60.0° |
| S24 | C23 | H20 | H21 | 118.9° | 120.0° |
| S25 | C26 | C27 | C29 | 52.5° | 180.0° |
| S25 | C26 | C27 | H22 | 120.6° | 120.0° |
| S25 | C26 | C27 | H23 | 120.6° | 120.0° |
| S25 | C26 | C27 | N28 | 174.9° | 60.0° |
| S25 | C26 | H22 | H23 | 118.2° | 120.0° |
| S25 | C26 | C27 | H24 | 67.2° | 60.0° |
| C03 | C02 | C01 | H1 | 60.3° | 56.6° |
| C03 | C02 | C01 | H2 | 59.6° | 63.3° |
| C03 | C02 | C01 | H3 | 179.7° | 176.6° |
| C02 | C03 | H4 | H5 | 120.0° | 120.0° |
| C02 | C03 | H4 | H6 | 120.0° | 120.0° |
| C02 | C03 | H5 | H6 | 120.0° | 120.0° |
| C03 | C02 | C04 | H7 | 178.3° | 60.0° |
| C03 | C02 | C04 | H8 | 58.2° | 180.0° |
| C03 | C02 | C10 | H11 | 177.4° | 54.4° |
| O12 | C11 | C10 | H11 | 158.6° | 128.1° |
| O12 | C11 | N13 | H12 | 179.4° | 175.6° |
| C14 | C15 | C16 | H15 | 120.8° | 120.0° |
| C14 | C15 | C16 | H16 | 120.8° | 120.0° |
| C14 | C15 | C16 | N18 | 27.6° | 180.0° |
| C14 | C15 | C16 | O17 | 153.8° | 0.0° |
| C15 | C14 | N13 | H12 | 85.6° | 0.0° |
| C15 | C14 | H13 | H14 | 119.5° | 120.0° |
| C14 | C15 | H15 | H16 | 117.5° | 120.0° |
| O30 | C29 | C27 | C26 | 88.9° | 80.0° |
| O30 | C29 | C27 | N28 | 29.9° | 160.0° |
| O30 | C29 | C27 | H24 | 151.3° | 40.1° |
| C29 | C27 | C26 | N28 | 122.3° | 120.0° |
| C29 | C27 | C26 | H24 | 119.7° | 120.1° |
| C29 | C27 | N28 | H24 | 120.8° | 120.0° |
| C29 | C27 | C26 | H22 | 68.1° | 60.0° |
| C29 | C27 | C26 | H23 | 173.1° | 60.1° |
| C29 | C27 | N28 | H25 | 180.0° | 64.0° |
| C29 | C27 | N28 | H26 | 60.0° | 60.0° |
| C27 | C29 | O30 | H28 | 179.5° | 180.0° |
| C15 | C16 | N18 | O17 | 178.6° | 180.0° |
| C15 | C16 | N18 | C19 | 179.7° | 180.0° |
| C16 | C15 | C14 | H13 | 36.7° | 60.0° |
| C16 | C15 | C14 | H14 | 83.0° | 60.0° |
| C16 | C15 | H15 | H16 | 117.6° | 120.1° |
| C15 | C16 | N18 | H17 | 0.3° | 0.0° |
| C23 | C19 | N18 | C16 | 163.5° | 155.0° |
| C23 | C19 | N18 | C20 | 120.3° | 120.0° |
| C23 | C19 | N18 | H18 | 118.4° | 119.9° |
| C23 | C19 | C20 | H18 | 119.5° | 120.0° |
| C23 | C19 | C20 | O21 | 169.4° | 120.0° |
| C23 | C19 | C20 | O22 | 10.8° | 60.0° |
| C23 | C19 | N18 | H17 | 16.5° | 25.0° |
| C19 | C23 | H20 | H21 | 118.9° | 120.0° |
| C16 | N18 | C19 | H17 | 180.0° | 179.9° |
| C16 | N18 | C19 | C20 | 76.2° | 85.0° |
| N18 | C16 | C15 | H15 | 93.2° | 60.0° |
| N18 | C16 | C15 | H16 | 148.4° | 60.1° |
| C16 | N18 | C19 | H18 | 45.1° | 35.1° |
| O17 | C16 | N18 | C19 | 1.1° | 0.1° |
| O17 | C16 | C15 | H15 | 85.4° | 120.0° |
| O17 | C16 | C15 | H16 | 33.1° | 120.0° |
| O17 | C16 | N18 | H17 | 178.9° | 180.0° |
| C26 | C27 | N28 | H24 | 117.3° | 120.0° |
| C27 | C26 | H22 | H23 | 118.2° | 120.1° |
| C26 | C27 | N28 | H25 | 58.1° | 176.1° |
| C26 | C27 | N28 | H26 | 178.1° | 60.0° |
| N18 | C19 | C20 | H18 | 122.0° | 120.0° |
| N18 | C19 | C20 | O21 | 50.9° | 0.0° |
| N18 | C19 | C20 | O22 | 129.3° | 180.0° |
| N18 | C19 | C23 | H20 | 145.4° | 60.0° |
| N18 | C19 | C23 | H21 | 26.1° | 180.0° |
| N28 | C27 | C26 | H22 | 54.3° | 59.9° |
| N28 | C27 | C26 | H23 | 64.6° | 180.0° |
| C27 | N28 | H25 | H26 | 120.0° | 124.0° |
| C19 | C20 | O21 | O22 | 179.8° | 180.0° |
| C20 | C19 | N18 | H17 | 103.7° | 95.0° |
| C19 | C20 | O22 | H19 | 179.8° | 180.0° |
| C20 | C19 | C23 | H20 | 24.0° | 60.1° |
| C20 | C19 | C23 | H21 | 95.2° | 60.0° |
| O21 | C20 | C19 | H18 | 71.0° | 120.0° |
| O21 | C20 | O22 | H19 | 0.0° | 0.1° |
| O22 | C20 | C19 | H18 | 108.7° | 60.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H4 | C03 | H5 | H6 | 120.0° | 120.0° |
| H11 | C10 | O32 | H29 | 133.0° | 180.0° |
| H12 | N13 | C14 | H13 | 34.6° | 120.0° |
| H12 | N13 | C14 | H14 | 154.3° | 120.0° |
| H13 | C14 | C15 | H15 | 157.5° | 60.0° |
| H13 | C14 | C15 | H16 | 84.1° | 180.0° |
| H14 | C14 | C15 | H15 | 37.8° | 179.9° |
| H14 | C14 | C15 | H16 | 156.2° | 60.1° |
| H17 | N18 | C19 | H18 | 135.0° | 145.0° |
| H18 | C19 | C23 | H20 | 95.5° | 179.9° |
| H18 | C19 | C23 | H21 | 145.3° | 60.1° |
| H22 | C26 | C27 | H24 | 172.2° | 179.9° |
| H23 | C26 | C27 | H24 | 53.4° | 60.0° |
| H24 | C27 | N28 | H25 | 59.2° | 56.0° |
| H24 | C27 | N28 | H26 | 60.8° | 180.0° |
