9Z3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S01 | C24 | sing | 1.81Å | 1.82Å | |
| O11 | C25 | doub | 1.21Å | 1.26Å | |
| C24 | C23 | sing | 1.53Å | 1.52Å | |
| C23 | C25 | sing | 1.51Å | 1.53Å | |
| C23 | N13 | sing | 1.46Å | 1.44Å | |
| C25 | O10 | sing | 1.34Å | 1.28Å | |
| O09 | C22 | doub | 1.21Å | 1.18Å | |
| N13 | C22 | sing | 1.35Å | 1.45Å | |
| C22 | C21 | sing | 1.51Å | 1.51Å | |
| C21 | C20 | sing | 1.53Å | 1.50Å | |
| C20 | N12 | sing | 1.46Å | 1.43Å | |
| N12 | C19 | sing | 1.35Å | 1.42Å | |
| C19 | O05 | doub | 1.21Å | 1.19Å | |
| C19 | C15 | sing | 1.51Å | 1.52Å | |
| C18 | C14 | sing | 1.53Å | 1.53Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C15 | O04 | sing | 1.43Å | 1.40Å | |
| C14 | C17 | sing | 1.53Å | 1.53Å | |
| C14 | C16 | sing | 1.53Å | 1.53Å | |
| C16 | O03 | sing | 1.43Å | 1.39Å | |
| O06 | P02 | doub | 1.48Å | 1.45Å | |
| O03 | P02 | sing | 1.61Å | 1.62Å | |
| P02 | O07 | sing | 1.61Å | 1.63Å | |
| P02 | O08 | sing | 1.61Å | 1.45Å | |
| S01 | H1 | sing | 1.35Å | 1.30Å | |
| O04 | H2 | sing | 0.97Å | 0.95Å | |
| O07 | H3 | sing | 0.97Å | 0.95Å | |
| O08 | H4 | sing | 0.97Å | 0.95Å | |
| O10 | H5 | sing | 0.97Å | 0.95Å | |
| N12 | H6 | sing | 0.97Å | 1.00Å | |
| N13 | H7 | sing | 0.97Å | 1.00Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S01 | C24 | C23 | 108.4° | 109.4° |
| C24 | S01 | H1 | 102.0° | 103.0° |
| S01 | C24 | H22 | 109.8° | 109.5° |
| S01 | C24 | H23 | 109.7° | 109.5° |
| O11 | C25 | C23 | 118.0° | 120.0° |
| O11 | C25 | O10 | 119.5° | 120.0° |
| C24 | C23 | C25 | 108.3° | 109.5° |
| C24 | C23 | N13 | 110.1° | 109.5° |
| C24 | C23 | H21 | 110.5° | 109.5° |
| C23 | C24 | H22 | 109.7° | 109.5° |
| C23 | C24 | H23 | 109.7° | 109.5° |
| C25 | C23 | N13 | 105.6° | 109.5° |
| C23 | C25 | O10 | 122.5° | 120.0° |
| C25 | C23 | H21 | 110.3° | 109.5° |
| C23 | N13 | C22 | 118.4° | 120.0° |
| C23 | N13 | H7 | 120.8° | 120.0° |
| N13 | C23 | H21 | 111.7° | 109.4° |
| C25 | O10 | H5 | 109.5° | 117.0° |
| O09 | C22 | N13 | 120.8° | 120.0° |
| O09 | C22 | C21 | 116.6° | 120.0° |
| N13 | C22 | C21 | 122.6° | 120.0° |
| C22 | N13 | H7 | 120.8° | 120.0° |
| C22 | C21 | C20 | 111.0° | 109.5° |
| C22 | C21 | H19 | 109.1° | 109.5° |
| C22 | C21 | H20 | 109.1° | 109.5° |
| C21 | C20 | N12 | 102.2° | 109.5° |
| C21 | C20 | H17 | 111.2° | 109.4° |
| C21 | C20 | H18 | 111.3° | 109.5° |
| C20 | C21 | H19 | 109.1° | 109.5° |
| C20 | C21 | H20 | 109.1° | 109.5° |
| C20 | N12 | C19 | 120.1° | 120.1° |
| C20 | N12 | H6 | 120.0° | 120.1° |
| N12 | C20 | H17 | 111.3° | 109.4° |
| N12 | C20 | H18 | 111.2° | 109.5° |
| N12 | C19 | O05 | 120.5° | 119.9° |
| N12 | C19 | C15 | 116.0° | 120.1° |
| C19 | N12 | H6 | 119.9° | 119.9° |
| O05 | C19 | C15 | 123.5° | 120.0° |
| C19 | C15 | C14 | 110.4° | 109.5° |
| C19 | C15 | O04 | 108.3° | 109.5° |
| C19 | C15 | H8 | 108.2° | 109.4° |
| C18 | C14 | C15 | 109.6° | 109.5° |
| C18 | C14 | C17 | 109.1° | 109.5° |
| C18 | C14 | C16 | 109.1° | 109.5° |
| C14 | C18 | H14 | 109.5° | 109.4° |
| C14 | C18 | H15 | 109.5° | 109.5° |
| C14 | C18 | H16 | 109.5° | 109.5° |
| C14 | C15 | O04 | 112.0° | 109.5° |
| C15 | C14 | C17 | 111.0° | 109.5° |
| C15 | C14 | C16 | 107.0° | 109.5° |
| C14 | C15 | H8 | 108.1° | 109.5° |
| C15 | O04 | H2 | 109.5° | 114.0° |
| O04 | C15 | H8 | 109.7° | 109.5° |
| C17 | C14 | C16 | 111.0° | 109.5° |
| C14 | C17 | H11 | 109.5° | 109.4° |
| C14 | C17 | H12 | 109.5° | 109.5° |
| C14 | C17 | H13 | 109.5° | 109.4° |
| C14 | C16 | O03 | 110.0° | 109.5° |
| C14 | C16 | H9 | 109.3° | 109.4° |
| C14 | C16 | H10 | 109.3° | 109.4° |
| C16 | O03 | P02 | 116.2° | 123.0° |
| O03 | C16 | H9 | 109.4° | 109.5° |
| O03 | C16 | H10 | 109.4° | 109.5° |
| O06 | P02 | O03 | 109.8° | 109.4° |
| O06 | P02 | O07 | 112.1° | 109.5° |
| O06 | P02 | O08 | 103.0° | 109.5° |
| O03 | P02 | O07 | 110.1° | 109.5° |
| O03 | P02 | O08 | 109.3° | 109.5° |
| O07 | P02 | O08 | 112.3° | 109.5° |
| P02 | O07 | H3 | 109.5° | 114.0° |
| P02 | O08 | H4 | 109.5° | 114.0° |
| H9 | C16 | H10 | 109.5° | 109.4° |
| H11 | C17 | H12 | 109.5° | 109.5° |
| H11 | C17 | H13 | 109.5° | 109.5° |
| H12 | C17 | H13 | 109.5° | 109.5° |
| H14 | C18 | H15 | 109.4° | 109.5° |
| H14 | C18 | H16 | 109.5° | 109.5° |
| H15 | C18 | H16 | 109.5° | 109.5° |
| H17 | C20 | H18 | 109.5° | 109.5° |
| H19 | C21 | H20 | 109.5° | 109.5° |
| H22 | C24 | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S01 | C24 | C23 | H22 | 119.8° | 120.0° |
| S01 | C24 | C23 | H23 | 119.8° | 120.0° |
| S01 | C24 | C23 | C25 | 172.4° | 180.0° |
| S01 | C24 | C23 | N13 | 57.3° | 60.0° |
| S01 | C24 | C23 | H21 | 66.6° | 60.0° |
| S01 | C24 | H22 | H23 | 120.5° | 120.1° |
| O11 | C25 | C23 | C24 | 51.0° | 120.0° |
| O11 | C25 | C23 | O10 | 179.6° | 179.9° |
| O11 | C25 | C23 | N13 | 168.9° | 0.0° |
| O11 | C25 | O10 | H5 | 0.0° | 0.1° |
| O11 | C25 | C23 | H21 | 70.1° | 120.0° |
| C24 | C23 | C25 | N13 | 118.0° | 120.0° |
| C24 | C23 | C25 | H21 | 121.1° | 120.0° |
| C24 | C23 | N13 | H21 | 123.2° | 120.0° |
| C24 | C23 | C25 | O10 | 128.6° | 60.0° |
| C24 | C23 | N13 | C22 | 167.2° | 85.0° |
| C23 | C24 | S01 | H1 | 180.0° | 180.0° |
| C24 | C23 | N13 | H7 | 12.8° | 95.0° |
| C23 | C24 | H22 | H23 | 120.5° | 120.0° |
| C25 | C23 | N13 | H21 | 120.0° | 120.0° |
| C25 | C23 | N13 | C22 | 76.0° | 155.0° |
| C23 | C25 | O10 | H5 | 179.6° | 180.0° |
| C25 | C23 | N13 | H7 | 104.0° | 25.0° |
| C25 | C23 | C24 | H22 | 67.8° | 60.0° |
| C25 | C23 | C24 | H23 | 52.6° | 60.0° |
| N13 | C23 | C25 | O10 | 10.7° | 179.9° |
| C23 | N13 | C22 | O09 | 1.6° | 0.0° |
| C23 | N13 | C22 | H7 | 180.0° | 180.0° |
| C23 | N13 | C22 | C21 | 177.4° | 180.0° |
| N13 | C23 | C24 | H22 | 177.2° | 60.0° |
| N13 | C23 | C24 | H23 | 62.5° | 180.0° |
| O10 | C25 | C23 | H21 | 110.3° | 60.0° |
| O09 | C22 | N13 | C21 | 179.0° | 180.0° |
| O09 | C22 | C21 | C20 | 156.8° | 0.0° |
| O09 | C22 | N13 | H7 | 178.4° | 180.0° |
| O09 | C22 | C21 | H19 | 82.9° | 120.0° |
| O09 | C22 | C21 | H20 | 36.6° | 120.0° |
| N13 | C22 | C21 | C20 | 22.2° | 180.0° |
| N13 | C22 | C21 | H19 | 98.0° | 60.0° |
| N13 | C22 | C21 | H20 | 142.4° | 60.0° |
| C22 | N13 | C23 | H21 | 44.0° | 35.0° |
| C22 | C21 | C20 | H19 | 120.2° | 120.0° |
| C22 | C21 | C20 | H20 | 120.2° | 120.0° |
| C22 | C21 | C20 | N12 | 179.7° | 180.0° |
| C21 | C22 | N13 | H7 | 2.6° | 0.0° |
| C22 | C21 | C20 | H17 | 60.8° | 60.1° |
| C22 | C21 | C20 | H18 | 61.5° | 60.0° |
| C22 | C21 | H19 | H20 | 119.3° | 120.0° |
| C21 | C20 | N12 | H17 | 118.8° | 119.9° |
| C21 | C20 | N12 | H18 | 118.8° | 120.0° |
| C21 | C20 | N12 | C19 | 113.3° | 180.0° |
| C21 | C20 | N12 | H6 | 66.7° | 0.1° |
| C21 | C20 | H17 | H18 | 123.4° | 120.0° |
| C20 | C21 | H19 | H20 | 119.3° | 120.0° |
| C20 | N12 | C19 | H6 | 180.0° | 179.9° |
| C20 | N12 | C19 | O05 | 0.0° | 4.8° |
| C20 | N12 | C19 | C15 | 179.8° | 175.5° |
| N12 | C20 | H17 | H18 | 123.4° | 120.0° |
| N12 | C20 | C21 | H19 | 60.1° | 60.0° |
| N12 | C20 | C21 | H20 | 59.4° | 60.0° |
| N12 | C19 | O05 | C15 | 179.8° | 179.7° |
| N12 | C19 | C15 | C14 | 104.8° | 71.0° |
| N12 | C19 | C15 | O04 | 132.2° | 169.0° |
| N12 | C19 | C15 | H8 | 13.3° | 49.0° |
| C19 | N12 | C20 | H17 | 5.5° | 60.0° |
| C19 | N12 | C20 | H18 | 127.9° | 60.0° |
| O05 | C19 | C15 | C14 | 75.0° | 109.3° |
| O05 | C19 | C15 | O04 | 48.0° | 10.7° |
| O05 | C19 | N12 | H6 | 180.0° | 175.2° |
| O05 | C19 | C15 | H8 | 166.9° | 130.7° |
| C19 | C15 | C14 | C18 | 62.9° | 65.7° |
| C19 | C15 | C14 | O04 | 120.8° | 120.0° |
| C19 | C15 | C14 | H8 | 118.2° | 120.0° |
| C19 | C15 | O04 | H8 | 117.9° | 120.0° |
| C19 | C15 | C14 | C17 | 57.7° | 174.4° |
| C19 | C15 | C14 | C16 | 178.9° | 54.4° |
| C19 | C15 | O04 | H2 | 18.0° | 60.0° |
| C15 | C19 | N12 | H6 | 0.2° | 4.6° |
| C18 | C14 | C15 | C17 | 120.6° | 120.0° |
| C18 | C14 | C15 | C16 | 118.2° | 120.0° |
| C18 | C14 | C15 | O04 | 176.3° | 174.3° |
| C18 | C14 | C17 | C16 | 120.3° | 120.0° |
| C18 | C14 | C16 | O03 | 58.8° | 60.0° |
| C18 | C14 | C15 | H8 | 55.3° | 54.3° |
| C18 | C14 | C16 | H9 | 178.9° | 179.9° |
| C18 | C14 | C16 | H10 | 61.3° | 60.0° |
| C18 | C14 | C17 | H11 | 180.0° | 66.8° |
| C18 | C14 | C17 | H12 | 60.0° | 53.3° |
| C18 | C14 | C17 | H13 | 60.0° | 173.3° |
| C14 | C18 | H14 | H15 | 120.0° | 120.0° |
| C14 | C18 | H14 | H16 | 120.0° | 120.0° |
| C14 | C18 | H15 | H16 | 120.0° | 120.0° |
| C14 | C15 | O04 | H8 | 120.1° | 120.0° |
| C15 | C14 | C17 | C16 | 118.8° | 120.0° |
| C15 | C14 | C16 | O03 | 177.3° | 180.0° |
| C14 | C15 | O04 | H2 | 104.0° | 60.0° |
| C15 | C14 | C16 | H9 | 62.6° | 59.9° |
| C15 | C14 | C16 | H10 | 57.2° | 60.0° |
| C15 | C14 | C17 | H11 | 59.1° | 53.2° |
| C15 | C14 | C17 | H12 | 179.1° | 173.2° |
| C15 | C14 | C17 | H13 | 60.9° | 66.7° |
| C15 | C14 | C18 | H14 | 180.0° | 65.4° |
| C15 | C14 | C18 | H15 | 60.0° | 174.7° |
| C15 | C14 | C18 | H16 | 60.0° | 54.7° |
| O04 | C15 | C14 | C17 | 63.1° | 54.4° |
| O04 | C15 | C14 | C16 | 58.1° | 65.6° |
| C17 | C14 | C16 | O03 | 61.5° | 60.0° |
| C17 | C14 | C15 | H8 | 175.8° | 65.7° |
| C17 | C14 | C16 | H9 | 58.6° | 60.1° |
| C17 | C14 | C16 | H10 | 178.4° | 180.0° |
| C14 | C17 | H11 | H12 | 120.0° | 120.0° |
| C14 | C17 | H11 | H13 | 120.0° | 119.9° |
| C14 | C17 | H12 | H13 | 120.0° | 120.0° |
| C17 | C14 | C18 | H14 | 58.3° | 174.6° |
| C17 | C14 | C18 | H15 | 178.3° | 54.7° |
| C17 | C14 | C18 | H16 | 61.7° | 65.3° |
| C14 | C16 | O03 | H9 | 120.1° | 120.0° |
| C14 | C16 | O03 | H10 | 120.1° | 120.0° |
| C14 | C16 | O03 | P02 | 152.3° | 180.0° |
| C16 | C14 | C15 | H8 | 62.9° | 174.3° |
| C14 | C16 | H9 | H10 | 119.7° | 119.9° |
| C16 | C14 | C17 | H11 | 59.7° | 173.2° |
| C16 | C14 | C17 | H12 | 60.3° | 66.7° |
| C16 | C14 | C17 | H13 | 179.7° | 53.3° |
| C16 | C14 | C18 | H14 | 63.2° | 54.7° |
| C16 | C14 | C18 | H15 | 56.8° | 65.3° |
| C16 | C14 | C18 | H16 | 176.8° | 174.7° |
| C16 | O03 | P02 | O06 | 67.1° | 55.0° |
| C16 | O03 | P02 | O07 | 169.0° | 65.0° |
| C16 | O03 | P02 | O08 | 45.2° | 175.0° |
| O03 | C16 | H9 | H10 | 119.8° | 120.0° |
| O06 | P02 | O03 | O07 | 123.9° | 120.0° |
| O06 | P02 | O03 | O08 | 112.3° | 120.0° |
| O06 | P02 | O07 | O08 | 115.4° | 120.0° |
| O06 | P02 | O07 | H3 | 0.0° | 180.0° |
| O06 | P02 | O08 | H4 | 0.0° | 60.0° |
| O03 | P02 | O07 | O08 | 122.0° | 120.0° |
| O03 | P02 | O07 | H3 | 122.6° | 60.1° |
| O03 | P02 | O08 | H4 | 116.7° | 180.0° |
| P02 | O03 | C16 | H9 | 87.6° | 60.0° |
| P02 | O03 | C16 | H10 | 32.2° | 60.0° |
| O07 | P02 | O08 | H4 | 120.8° | 60.0° |
| O08 | P02 | O07 | H3 | 115.4° | 60.0° |
| H1 | S01 | C24 | H22 | 60.2° | 60.0° |
| H1 | S01 | C24 | H23 | 60.2° | 60.0° |
| H2 | O04 | C15 | H8 | 135.9° | 180.0° |
| H6 | N12 | C20 | H17 | 174.4° | 120.0° |
| H6 | N12 | C20 | H18 | 52.1° | 120.0° |
| H7 | N13 | C23 | H21 | 136.0° | 145.0° |
| H11 | C17 | H12 | H13 | 120.0° | 120.0° |
| H14 | C18 | H15 | H16 | 120.0° | 120.0° |
| H17 | C20 | C21 | H19 | 178.9° | 60.0° |
| H17 | C20 | C21 | H20 | 59.4° | 180.0° |
| H18 | C20 | C21 | H19 | 58.7° | 180.0° |
| H18 | C20 | C21 | H20 | 178.2° | 60.0° |
| H21 | C23 | C24 | H22 | 53.2° | NaN° |
| H21 | C23 | C24 | H23 | 173.6° | 60.0° |
