H5Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.51Å | 1.54Å | |
| C02 | C03 | doub | 1.38Å | 1.41Å | Aromatic |
| C02 | C05 | sing | 1.38Å | 1.40Å | Aromatic |
| C03 | C04 | sing | 1.38Å | 1.40Å | Aromatic |
| C05 | C06 | doub | 1.38Å | 1.40Å | Aromatic |
| C04 | C07 | doub | 1.39Å | 1.37Å | Aromatic |
| C06 | C07 | sing | 1.39Å | 1.39Å | Aromatic |
| C07 | S08 | sing | 1.76Å | 1.79Å | |
| O34 | C33 | sing | 1.43Å | 1.40Å | |
| N32 | N31 | doub | 1.29Å | 1.26Å | Aromatic |
| N32 | N17 | sing | 1.29Å | 1.36Å | Aromatic |
| N31 | C19 | sing | 1.34Å | 1.40Å | Aromatic |
| F22 | C21 | sing | 1.35Å | 1.33Å | |
| C09 | S08 | sing | 1.81Å | 1.81Å | |
| C09 | C33 | sing | 1.53Å | 1.54Å | |
| C09 | O10 | sing | 1.43Å | 1.39Å | |
| C16 | C33 | sing | 1.53Å | 1.54Å | |
| C16 | N17 | sing | 1.47Å | 1.44Å | |
| C16 | C14 | sing | 1.53Å | 1.54Å | |
| N17 | C18 | sing | 1.35Å | 1.37Å | Aromatic |
| C11 | O10 | sing | 1.43Å | 1.41Å | |
| C11 | C14 | sing | 1.53Å | 1.55Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C19 | C18 | doub | 1.36Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.49Å | 1.45Å | |
| C21 | C20 | doub | 1.39Å | 1.42Å | Aromatic |
| C21 | C23 | sing | 1.38Å | 1.37Å | Aromatic |
| F24 | C23 | sing | 1.35Å | 1.33Å | |
| C14 | O15 | sing | 1.43Å | 1.39Å | |
| O13 | C12 | sing | 1.43Å | 1.40Å | |
| C20 | C29 | sing | 1.39Å | 1.41Å | Aromatic |
| C23 | C25 | doub | 1.39Å | 1.38Å | Aromatic |
| C29 | F30 | sing | 1.35Å | 1.32Å | |
| C29 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | C27 | sing | 1.39Å | 1.38Å | Aromatic |
| C25 | F26 | sing | 1.35Å | 1.27Å | |
| C27 | F28 | sing | 1.35Å | 1.32Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| O13 | H131 | sing | 0.97Å | 0.95Å | |
| O15 | H151 | sing | 0.97Å | 0.95Å | |
| O34 | H341 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 123.8° | 119.9° |
| C01 | C02 | C05 | 123.5° | 119.9° |
| C02 | C01 | H012 | 109.5° | 109.4° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C03 | C02 | C05 | 112.8° | 120.2° |
| C02 | C03 | C04 | 124.1° | 120.1° |
| C02 | C03 | H031 | 118.0° | 120.0° |
| C02 | C05 | C06 | 123.4° | 120.1° |
| C02 | C05 | H051 | 118.3° | 120.0° |
| C03 | C04 | C07 | 121.7° | 120.0° |
| C04 | C03 | H031 | 118.0° | 119.9° |
| C03 | C04 | H041 | 119.1° | 120.0° |
| C05 | C06 | C07 | 122.0° | 119.9° |
| C06 | C05 | H051 | 118.3° | 120.0° |
| C05 | C06 | H061 | 119.0° | 120.0° |
| C04 | C07 | C06 | 116.1° | 119.8° |
| C04 | C07 | S08 | 122.9° | 120.1° |
| C07 | C04 | H041 | 119.1° | 120.0° |
| C06 | C07 | S08 | 121.0° | 120.1° |
| C07 | C06 | H061 | 119.0° | 120.0° |
| C07 | S08 | C09 | 104.5° | 103.0° |
| O34 | C33 | C09 | 110.1° | 109.5° |
| O34 | C33 | C16 | 107.0° | 109.5° |
| O34 | C33 | H331 | 113.7° | 109.6° |
| C33 | O34 | H341 | 109.5° | 114.0° |
| N31 | N32 | N17 | 108.5° | 110.5° |
| N32 | N31 | C19 | 110.9° | 108.8° |
| N32 | N17 | C16 | 120.8° | 125.7° |
| N32 | N17 | C18 | 109.8° | 108.5° |
| N31 | C19 | C18 | 105.9° | 106.2° |
| N31 | C19 | C20 | 124.1° | 126.9° |
| F22 | C21 | C20 | 118.5° | 120.0° |
| F22 | C21 | C23 | 117.2° | 120.1° |
| S08 | C09 | C33 | 110.2° | 109.5° |
| S08 | C09 | O10 | 109.9° | 109.5° |
| S08 | C09 | H091 | 105.8° | 109.5° |
| C33 | C09 | O10 | 111.4° | 109.4° |
| C09 | C33 | C16 | 102.7° | 109.1° |
| C33 | C09 | H091 | 108.6° | 109.5° |
| C09 | C33 | H331 | 111.3° | 109.5° |
| C09 | O10 | C11 | 111.3° | 114.1° |
| O10 | C09 | H091 | 110.7° | 109.5° |
| C33 | C16 | N17 | 110.0° | 109.5° |
| C33 | C16 | C14 | 111.9° | 109.0° |
| C33 | C16 | H161 | 107.8° | 109.6° |
| C16 | C33 | H331 | 111.4° | 109.6° |
| N17 | C16 | C14 | 110.2° | 109.5° |
| C16 | N17 | C18 | 129.4° | 125.8° |
| N17 | C16 | H161 | 109.1° | 109.5° |
| C16 | C14 | C11 | 105.5° | 109.1° |
| C16 | C14 | O15 | 111.1° | 109.5° |
| C16 | C14 | H141 | 109.1° | 109.5° |
| C14 | C16 | H161 | 107.8° | 109.6° |
| N17 | C18 | C19 | 104.9° | 106.0° |
| N17 | C18 | H181 | 127.6° | 127.0° |
| O10 | C11 | C14 | 108.5° | 109.4° |
| O10 | C11 | C12 | 108.6° | 109.4° |
| O10 | C11 | H111 | 110.5° | 109.6° |
| C14 | C11 | C12 | 111.5° | 109.5° |
| C11 | C14 | O15 | 110.7° | 109.6° |
| C14 | C11 | H111 | 108.7° | 109.5° |
| C11 | C14 | H141 | 109.0° | 109.5° |
| C11 | C12 | O13 | 110.8° | 109.5° |
| C12 | C11 | H111 | 108.9° | 109.5° |
| C11 | C12 | H122 | 109.1° | 109.4° |
| C11 | C12 | H121 | 109.2° | 109.5° |
| C18 | C19 | C20 | 129.9° | 126.9° |
| C19 | C18 | H181 | 127.5° | 127.0° |
| C19 | C20 | C21 | 124.4° | 120.1° |
| C19 | C20 | C29 | 122.1° | 120.1° |
| C20 | C21 | C23 | 124.3° | 119.9° |
| C21 | C20 | C29 | 113.4° | 119.8° |
| C21 | C23 | F24 | 119.8° | 120.0° |
| C21 | C23 | C25 | 119.4° | 120.1° |
| F24 | C23 | C25 | 120.9° | 119.9° |
| O15 | C14 | H141 | 111.2° | 109.5° |
| C14 | O15 | H151 | 109.5° | 114.0° |
| O13 | C12 | H122 | 109.1° | 109.5° |
| O13 | C12 | H121 | 109.1° | 109.5° |
| C12 | O13 | H131 | 109.5° | 114.0° |
| C20 | C29 | F30 | 118.0° | 120.1° |
| C20 | C29 | C27 | 123.3° | 119.9° |
| C23 | C25 | C27 | 119.3° | 120.2° |
| C23 | C25 | F26 | 121.0° | 119.9° |
| F30 | C29 | C27 | 118.7° | 120.0° |
| C29 | C27 | C25 | 120.4° | 120.1° |
| C29 | C27 | F28 | 120.3° | 119.9° |
| C27 | C25 | F26 | 119.8° | 119.9° |
| C25 | C27 | F28 | 119.3° | 120.0° |
| H012 | C01 | H011 | 109.5° | 109.4° |
| H012 | C01 | H013 | 109.4° | 109.5° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H122 | C12 | H121 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | C05 | 179.0° | 179.6° |
| C01 | C02 | C03 | C04 | 179.3° | 180.0° |
| C01 | C02 | C05 | C06 | 179.1° | 180.0° |
| C02 | C01 | H012 | H011 | 120.0° | 120.0° |
| C02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C02 | C01 | H011 | H013 | 120.0° | 120.1° |
| C01 | C02 | C03 | H031 | 0.7° | 0.1° |
| C01 | C02 | C05 | H051 | 0.9° | 0.1° |
| C02 | C03 | C04 | H031 | 180.0° | 179.9° |
| C03 | C02 | C05 | C06 | 0.1° | 0.3° |
| C02 | C03 | C04 | C07 | 0.4° | 0.1° |
| C03 | C02 | C01 | H012 | 90.5° | 90.1° |
| C03 | C02 | C01 | H011 | 149.4° | 150.0° |
| C03 | C02 | C01 | H013 | 29.5° | 29.9° |
| C02 | C03 | C04 | H041 | 179.6° | 180.0° |
| C03 | C02 | C05 | H051 | 179.9° | 179.7° |
| C05 | C02 | C03 | C04 | 0.3° | 0.4° |
| C02 | C05 | C06 | H051 | 180.0° | 180.0° |
| C02 | C05 | C06 | C07 | 0.0° | 0.0° |
| C05 | C02 | C01 | H012 | 90.6° | 90.3° |
| C05 | C02 | C01 | H011 | 29.5° | 29.6° |
| C05 | C02 | C01 | H013 | 149.5° | 149.7° |
| C05 | C02 | C03 | H031 | 179.7° | 179.8° |
| C02 | C05 | C06 | H061 | 179.9° | 180.0° |
| C03 | C04 | C07 | H041 | 180.0° | 179.9° |
| C03 | C04 | C07 | C06 | 0.3° | 0.2° |
| C03 | C04 | C07 | S08 | 178.9° | 180.0° |
| C05 | C06 | C07 | C04 | 0.1° | 0.3° |
| C05 | C06 | C07 | H061 | 180.0° | 180.0° |
| C05 | C06 | C07 | S08 | 179.1° | 180.0° |
| C04 | C07 | C06 | S08 | 179.2° | 179.8° |
| C04 | C07 | S08 | C09 | 157.2° | 180.0° |
| C07 | C04 | C03 | H031 | 179.6° | 180.0° |
| C04 | C07 | C06 | H061 | 179.8° | 179.7° |
| C06 | C07 | S08 | C09 | 23.6° | 0.2° |
| C06 | C07 | C04 | H041 | 179.7° | 179.7° |
| C07 | C06 | C05 | H051 | 180.0° | 180.0° |
| C07 | S08 | C09 | C33 | 146.5° | 175.0° |
| C07 | S08 | C09 | O10 | 90.3° | 65.0° |
| S08 | C07 | C04 | H041 | 1.1° | 0.1° |
| S08 | C07 | C06 | H061 | 0.9° | 0.0° |
| C07 | S08 | C09 | H091 | 29.2° | 55.0° |
| O34 | C33 | C09 | S08 | 62.7° | 62.5° |
| O34 | C33 | C09 | C16 | 113.7° | 119.8° |
| O34 | C33 | C09 | H331 | 127.0° | 120.2° |
| O34 | C33 | C09 | O10 | 175.1° | 177.5° |
| O34 | C33 | C16 | H331 | 124.8° | 120.3° |
| O34 | C33 | C16 | N17 | 62.6° | 63.3° |
| O34 | C33 | C16 | C14 | 174.6° | 176.9° |
| O34 | C33 | C09 | H091 | 52.8° | 57.5° |
| O34 | C33 | C16 | H161 | 56.2° | 56.9° |
| N31 | N32 | N17 | C16 | 179.9° | 179.8° |
| N31 | N32 | N17 | C18 | 0.2° | 0.2° |
| N32 | N31 | C19 | C18 | 0.1° | 0.1° |
| N32 | N31 | C19 | C20 | 178.6° | 179.9° |
| N17 | N32 | N31 | C19 | 0.2° | 0.1° |
| N32 | N17 | C16 | C33 | 117.9° | 145.0° |
| N32 | N17 | C16 | C18 | 179.9° | 180.0° |
| N32 | N17 | C16 | C14 | 118.3° | 95.5° |
| N32 | N17 | C18 | C19 | 0.1° | 0.3° |
| N32 | N17 | C16 | H161 | 0.2° | 24.8° |
| N32 | N17 | C18 | H181 | 179.9° | 180.0° |
| N31 | C19 | C18 | N17 | 0.0° | 0.2° |
| N31 | C19 | C18 | C20 | 178.7° | 180.0° |
| N31 | C19 | C20 | C21 | 27.4° | 179.7° |
| N31 | C19 | C20 | C29 | 148.6° | 0.0° |
| N31 | C19 | C18 | H181 | 180.0° | 180.0° |
| F22 | C21 | C20 | C19 | 3.8° | 0.3° |
| F22 | C21 | C20 | C23 | 177.9° | 180.0° |
| F22 | C21 | C23 | F24 | 0.7° | 0.0° |
| F22 | C21 | C20 | C29 | 179.8° | 180.0° |
| F22 | C21 | C23 | C25 | 179.3° | 179.9° |
| S08 | C09 | C33 | O10 | 122.3° | 120.0° |
| S08 | C09 | C33 | H091 | 115.5° | 120.0° |
| S08 | C09 | O10 | H091 | 116.5° | 120.1° |
| S08 | C09 | C33 | C16 | 176.4° | 177.6° |
| S08 | C09 | O10 | C11 | 168.9° | 178.9° |
| S08 | C09 | C33 | H331 | 64.3° | 57.7° |
| C33 | C09 | O10 | H091 | 121.0° | 120.0° |
| C09 | C33 | C16 | H331 | 119.2° | 119.9° |
| C09 | C33 | C16 | N17 | 178.6° | 176.8° |
| C09 | C33 | C16 | C14 | 58.6° | 57.0° |
| C33 | C09 | O10 | C11 | 68.7° | 61.2° |
| C09 | C33 | C16 | H161 | 59.7° | 63.0° |
| C09 | C33 | O34 | H341 | 180.0° | 60.1° |
| O10 | C09 | C33 | C16 | 61.3° | 57.6° |
| C09 | O10 | C11 | C14 | 66.0° | 61.2° |
| C09 | O10 | C11 | C12 | 172.7° | 178.9° |
| C09 | O10 | C11 | H111 | 53.2° | 58.8° |
| O10 | C09 | C33 | H331 | 57.9° | 62.3° |
| C33 | C16 | N17 | C14 | 123.8° | 119.5° |
| C33 | C16 | N17 | H161 | 118.0° | 120.2° |
| C33 | C16 | C14 | H161 | 118.3° | 120.0° |
| C33 | C16 | N17 | C18 | 62.3° | 34.9° |
| C33 | C16 | C14 | C11 | 59.6° | 57.0° |
| C33 | C16 | C14 | O15 | 60.5° | 62.9° |
| C16 | C33 | C09 | H091 | 60.9° | 62.3° |
| C33 | C16 | C14 | H141 | 176.5° | 176.9° |
| C16 | C33 | O34 | H341 | 69.1° | 179.7° |
| N17 | C16 | C14 | H161 | 119.0° | 120.2° |
| N17 | C16 | C14 | C11 | 177.8° | 176.9° |
| C16 | N17 | C18 | C19 | 180.0° | 179.8° |
| N17 | C16 | C14 | O15 | 62.2° | 56.9° |
| N17 | C16 | C14 | H141 | 60.8° | 63.2° |
| C16 | N17 | C18 | H181 | 0.0° | 0.0° |
| N17 | C16 | C33 | H331 | 62.2° | 56.9° |
| C14 | C16 | N17 | C18 | 61.6° | 84.6° |
| C16 | C14 | C11 | O10 | 59.3° | 57.7° |
| C16 | C14 | C11 | O15 | 120.3° | 119.9° |
| C16 | C14 | C11 | H141 | 117.0° | 119.9° |
| C16 | C14 | C11 | C12 | 178.9° | 177.6° |
| C16 | C14 | O15 | H141 | 121.7° | 120.2° |
| C16 | C14 | C11 | H111 | 61.0° | 62.4° |
| C14 | C16 | C33 | H331 | 60.6° | 62.9° |
| C16 | C14 | O15 | H151 | 180.0° | 179.7° |
| N17 | C18 | C19 | H181 | 180.0° | 179.7° |
| N17 | C18 | C19 | C20 | 178.7° | 179.7° |
| C18 | N17 | C16 | H161 | 179.7° | 155.2° |
| O10 | C11 | C14 | C12 | 119.6° | 119.9° |
| O10 | C11 | C14 | H111 | 120.3° | 120.1° |
| O10 | C11 | C12 | H111 | 120.5° | 120.1° |
| O10 | C11 | C14 | O15 | 61.0° | 62.3° |
| O10 | C11 | C12 | O13 | 63.6° | 65.1° |
| C11 | O10 | C09 | H091 | 52.4° | 58.8° |
| O10 | C11 | C12 | H122 | 176.2° | 175.0° |
| O10 | C11 | C12 | H121 | 56.6° | 55.0° |
| O10 | C11 | C14 | H141 | 176.3° | 177.6° |
| C14 | C11 | C12 | H111 | 120.0° | 120.0° |
| C11 | C14 | O15 | H141 | 121.4° | 120.2° |
| C14 | C11 | C12 | O13 | 176.8° | 175.0° |
| C14 | C11 | C12 | H122 | 56.6° | 55.1° |
| C14 | C11 | C12 | H121 | 62.9° | 64.9° |
| C11 | C14 | C16 | H161 | 58.8° | 62.9° |
| C11 | C14 | O15 | H151 | 63.0° | 60.0° |
| C12 | C11 | C14 | O15 | 58.6° | 57.7° |
| C11 | C12 | O13 | H122 | 120.2° | 119.9° |
| C11 | C12 | O13 | H121 | 120.2° | 120.0° |
| C11 | C12 | H122 | H121 | 119.4° | 120.0° |
| C12 | C11 | C14 | H141 | 64.1° | 62.5° |
| C11 | C12 | O13 | H131 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 154.1° | 0.3° |
| C18 | C19 | C20 | C29 | 29.9° | 180.0° |
| C19 | C20 | C21 | C29 | 176.3° | 179.7° |
| C19 | C20 | C21 | C23 | 178.3° | 179.7° |
| C19 | C20 | C29 | F30 | 1.0° | 0.3° |
| C19 | C20 | C29 | C27 | 177.8° | 179.7° |
| C20 | C19 | C18 | H181 | 1.3° | 0.0° |
| C20 | C21 | C23 | F24 | 178.5° | 180.0° |
| C20 | C21 | C23 | C25 | 1.4° | 0.1° |
| C21 | C20 | C29 | F30 | 177.4° | 180.0° |
| C21 | C20 | C29 | C27 | 1.4° | 0.0° |
| C21 | C23 | F24 | C25 | 180.0° | 179.9° |
| C23 | C21 | C20 | C29 | 2.0° | 0.1° |
| C21 | C23 | C25 | C27 | 0.2° | 0.1° |
| C21 | C23 | C25 | F26 | 179.8° | 179.9° |
| F24 | C23 | C25 | C27 | 179.8° | 180.0° |
| F24 | C23 | C25 | F26 | 0.2° | 0.0° |
| O15 | C14 | C11 | H111 | 178.7° | 177.7° |
| O15 | C14 | C16 | H161 | 178.9° | 177.1° |
| O13 | C12 | C11 | H111 | 56.9° | 55.0° |
| O13 | C12 | H122 | H121 | 119.3° | 120.0° |
| C20 | C29 | F30 | C27 | 178.9° | 180.0° |
| C20 | C29 | C27 | C25 | 0.3° | 0.1° |
| C20 | C29 | C27 | F28 | 178.6° | 180.0° |
| C23 | C25 | C27 | C29 | 0.4° | 0.0° |
| C23 | C25 | C27 | F26 | 179.7° | 180.0° |
| C23 | C25 | C27 | F28 | 179.3° | 180.0° |
| F30 | C29 | C27 | C25 | 178.5° | 180.0° |
| F30 | C29 | C27 | F28 | 2.6° | 0.0° |
| C29 | C27 | C25 | F28 | 178.9° | 180.0° |
| C29 | C27 | C25 | F26 | 179.3° | 180.0° |
| F26 | C25 | C27 | F28 | 0.4° | 0.0° |
| H012 | C01 | H011 | H013 | 120.0° | 120.0° |
| H031 | C03 | C04 | H041 | 0.5° | 0.1° |
| H051 | C05 | C06 | H061 | 0.1° | 0.0° |
| H091 | C09 | C33 | H331 | 179.8° | 177.7° |
| H111 | C11 | C12 | H122 | 63.3° | 64.9° |
| H111 | C11 | C12 | H121 | 177.1° | 175.1° |
| H111 | C11 | C14 | H141 | 56.0° | 57.5° |
| H122 | C12 | O13 | H131 | 59.8° | 60.0° |
| H121 | C12 | O13 | H131 | 59.8° | 60.0° |
| H141 | C14 | C16 | H161 | 58.2° | 57.0° |
| H141 | C14 | O15 | H151 | 58.3° | 60.2° |
| H161 | C16 | C33 | H331 | 178.9° | 177.1° |
| H331 | C33 | O34 | H341 | 54.3° | 60.1° |
