RZC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N03 | C02 | sing | 1.38Å | 1.45Å | |
| S29 | C28 | sing | 1.71Å | 1.63Å | Aromatic |
| S29 | C04 | sing | 1.76Å | 1.62Å | Aromatic |
| C28 | C06 | doub | 1.35Å | 1.43Å | Aromatic |
| C02 | C04 | sing | 1.47Å | 1.51Å | |
| C02 | N01 | doub | 1.31Å | 1.26Å | |
| C04 | C05 | doub | 1.35Å | 1.42Å | Aromatic |
| C06 | C05 | sing | 1.39Å | 1.51Å | Aromatic |
| C06 | C07 | sing | 1.48Å | 1.51Å | |
| C08 | C07 | doub | 1.39Å | 1.38Å | Aromatic |
| C08 | C09 | sing | 1.38Å | 1.38Å | Aromatic |
| C07 | C27 | sing | 1.39Å | 1.39Å | Aromatic |
| C09 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C27 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | N12 | sing | 1.40Å | 1.46Å | |
| N12 | C13 | sing | 1.35Å | 1.45Å | |
| O26 | C13 | doub | 1.21Å | 1.19Å | |
| C13 | C14 | sing | 1.51Å | 1.53Å | |
| C25 | C14 | sing | 1.53Å | 1.52Å | |
| C14 | O16 | sing | 1.43Å | 1.41Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| O16 | C17 | sing | 1.36Å | 1.42Å | |
| C24 | C17 | doub | 1.39Å | 1.40Å | Aromatic |
| C24 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| CL2 | C22 | sing | 1.74Å | 1.78Å | |
| C22 | C20 | doub | 1.39Å | 1.38Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | CL1 | sing | 1.74Å | 1.78Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C15 | H153 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H253 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| C28 | H281 | sing | 1.08Å | 1.08Å | |
| N01 | H011 | sing | 0.97Å | 1.00Å | |
| N03 | H032 | sing | 0.97Å | 1.00Å | |
| N12 | H121 | sing | 0.97Å | 1.00Å | |
| N03 | H031 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N03 | C02 | C04 | 120.5° | 120.0° |
| N03 | C02 | N01 | 123.1° | 120.0° |
| C02 | N03 | H032 | 120.0° | 120.0° |
| C02 | N03 | H031 | 120.0° | 120.0° |
| C28 | S29 | C04 | 100.6° | 91.7° |
| S29 | C28 | C06 | 108.6° | 110.7° |
| S29 | C28 | H281 | 125.7° | 124.7° |
| S29 | C04 | C02 | 127.6° | 125.2° |
| S29 | C04 | C05 | 110.3° | 109.5° |
| C28 | C06 | C05 | 111.3° | 114.5° |
| C28 | C06 | C07 | 125.7° | 122.7° |
| C06 | C28 | H281 | 125.7° | 124.6° |
| C04 | C02 | N01 | 116.4° | 120.0° |
| C02 | C04 | C05 | 122.1° | 125.2° |
| C02 | N01 | H011 | 112.0° | 120.0° |
| C04 | C05 | C06 | 109.2° | 113.5° |
| C04 | C05 | H051 | 125.4° | 123.3° |
| C05 | C06 | C07 | 123.0° | 122.8° |
| C06 | C05 | H051 | 125.4° | 123.2° |
| C06 | C07 | C08 | 118.8° | 120.1° |
| C06 | C07 | C27 | 120.1° | 120.1° |
| C07 | C08 | C09 | 119.9° | 120.0° |
| C08 | C07 | C27 | 121.1° | 119.8° |
| C07 | C08 | H081 | 120.0° | 120.0° |
| C08 | C09 | C10 | 119.5° | 120.2° |
| C09 | C08 | H081 | 120.0° | 119.9° |
| C08 | C09 | H091 | 120.2° | 119.9° |
| C07 | C27 | C11 | 118.7° | 119.8° |
| C07 | C27 | H271 | 120.7° | 120.1° |
| C09 | C10 | C11 | 120.5° | 120.2° |
| C10 | C09 | H091 | 120.2° | 119.9° |
| C09 | C10 | H101 | 119.8° | 119.9° |
| C27 | C11 | C10 | 120.2° | 120.0° |
| C27 | C11 | N12 | 123.1° | 120.0° |
| C11 | C27 | H271 | 120.7° | 120.2° |
| C10 | C11 | N12 | 116.7° | 120.0° |
| C11 | C10 | H101 | 119.7° | 119.9° |
| C11 | N12 | C13 | 124.9° | 120.0° |
| C11 | N12 | H121 | 117.6° | 120.0° |
| N12 | C13 | O26 | 123.3° | 120.0° |
| N12 | C13 | C14 | 115.7° | 120.0° |
| C13 | N12 | H121 | 117.5° | 120.0° |
| O26 | C13 | C14 | 121.0° | 120.0° |
| C13 | C14 | C25 | 109.0° | 109.4° |
| C13 | C14 | O16 | 109.1° | 109.5° |
| C13 | C14 | C15 | 111.2° | 109.5° |
| C25 | C14 | O16 | 107.0° | 109.5° |
| C25 | C14 | C15 | 110.1° | 109.5° |
| C14 | C25 | H251 | 109.5° | 109.5° |
| C14 | C25 | H252 | 109.5° | 109.4° |
| C14 | C25 | H253 | 109.5° | 109.5° |
| O16 | C14 | C15 | 110.4° | 109.5° |
| C14 | O16 | C17 | 123.5° | 117.0° |
| C14 | C15 | H153 | 109.5° | 109.4° |
| C14 | C15 | H151 | 109.5° | 109.5° |
| C14 | C15 | H152 | 109.5° | 109.5° |
| O16 | C17 | C24 | 124.9° | 120.0° |
| O16 | C17 | C18 | 115.8° | 120.0° |
| C17 | C24 | C22 | 118.3° | 119.9° |
| C24 | C17 | C18 | 119.3° | 120.0° |
| C17 | C24 | H241 | 120.8° | 120.1° |
| C24 | C22 | CL2 | 120.0° | 120.0° |
| C24 | C22 | C20 | 121.4° | 120.0° |
| C22 | C24 | H241 | 120.9° | 120.0° |
| C17 | C18 | C19 | 122.2° | 119.9° |
| C17 | C18 | H181 | 118.9° | 120.0° |
| CL2 | C22 | C20 | 118.6° | 120.0° |
| C22 | C20 | C19 | 120.5° | 120.1° |
| C22 | C20 | CL1 | 120.4° | 119.9° |
| C18 | C19 | C20 | 118.2° | 120.1° |
| C19 | C18 | H181 | 118.9° | 120.0° |
| C18 | C19 | H191 | 120.9° | 119.9° |
| C19 | C20 | CL1 | 119.1° | 120.0° |
| C20 | C19 | H191 | 120.9° | 120.0° |
| H153 | C15 | H151 | 109.5° | 109.5° |
| H153 | C15 | H152 | 109.5° | 109.5° |
| H151 | C15 | H152 | 109.4° | 109.5° |
| H251 | C25 | H252 | 109.4° | 109.5° |
| H251 | C25 | H253 | 109.5° | 109.5° |
| H252 | C25 | H253 | 109.5° | 109.4° |
| H032 | N03 | H031 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N03 | C02 | C04 | S29 | 13.2° | 0.6° |
| N03 | C02 | C04 | N01 | 178.5° | 179.7° |
| N03 | C02 | C04 | C05 | 167.5° | 179.7° |
| N03 | C02 | N01 | H011 | 178.4° | 179.7° |
| C02 | N03 | H032 | H031 | 180.0° | 180.0° |
| S29 | C28 | C06 | H281 | 180.0° | 179.7° |
| C28 | S29 | C04 | C02 | 179.6° | 179.9° |
| C28 | S29 | C04 | C05 | 1.0° | 0.3° |
| S29 | C28 | C06 | C05 | 0.1° | 0.3° |
| S29 | C28 | C06 | C07 | 178.5° | 179.7° |
| C04 | S29 | C28 | C06 | 0.5° | 0.4° |
| S29 | C04 | C02 | C05 | 179.3° | 179.7° |
| S29 | C04 | C02 | N01 | 168.4° | 179.7° |
| S29 | C04 | C05 | C06 | 1.1° | 0.2° |
| S29 | C04 | C05 | H051 | 178.9° | 179.7° |
| C04 | S29 | C28 | H281 | 179.4° | 180.0° |
| C28 | C06 | C05 | C04 | 0.8° | 0.1° |
| C28 | C06 | C05 | C07 | 178.4° | 180.0° |
| C28 | C06 | C07 | C08 | 6.6° | 179.7° |
| C28 | C06 | C07 | C27 | 174.8° | 0.0° |
| C28 | C06 | C05 | H051 | 179.3° | 180.0° |
| C02 | C04 | C05 | C06 | 179.5° | 180.0° |
| C02 | C04 | C05 | H051 | 0.5° | 0.0° |
| C04 | C02 | N01 | H011 | 0.0° | 0.1° |
| C04 | C02 | N03 | H032 | 178.4° | 0.0° |
| C04 | C02 | N03 | H031 | 1.6° | 180.0° |
| N01 | C02 | C04 | C05 | 10.9° | 0.0° |
| N01 | C02 | N03 | H032 | 0.0° | 179.7° |
| N01 | C02 | N03 | H031 | 180.0° | 0.4° |
| C04 | C05 | C06 | H051 | 180.0° | 179.9° |
| C04 | C05 | C06 | C07 | 179.2° | 180.0° |
| C05 | C06 | C07 | C08 | 171.6° | 0.3° |
| C05 | C06 | C07 | C27 | 6.9° | 180.0° |
| C05 | C06 | C28 | H281 | 180.0° | 180.0° |
| C06 | C07 | C08 | C27 | 178.5° | 179.7° |
| C06 | C07 | C08 | C09 | 179.2° | 180.0° |
| C06 | C07 | C27 | C11 | 179.9° | 179.7° |
| C07 | C06 | C05 | H051 | 0.8° | 0.0° |
| C06 | C07 | C08 | H081 | 0.8° | 0.0° |
| C06 | C07 | C27 | H271 | 0.1° | 0.0° |
| C07 | C06 | C28 | H281 | 1.6° | 0.0° |
| C07 | C08 | C09 | H081 | 180.0° | 179.9° |
| C07 | C08 | C09 | C10 | 0.1° | 0.1° |
| C08 | C07 | C27 | C11 | 1.4° | 0.6° |
| C07 | C08 | C09 | H091 | 179.8° | 180.0° |
| C08 | C07 | C27 | H271 | 178.6° | 179.7° |
| C09 | C08 | C07 | C27 | 0.7° | 0.3° |
| C08 | C09 | C10 | H091 | 180.0° | 179.9° |
| C08 | C09 | C10 | C11 | 0.3° | 0.0° |
| C08 | C09 | C10 | H101 | 179.7° | 179.9° |
| C07 | C27 | C11 | H271 | 180.0° | 179.8° |
| C07 | C27 | C11 | C10 | 1.5° | 0.5° |
| C07 | C27 | C11 | N12 | 179.8° | 179.7° |
| C27 | C07 | C08 | H081 | 179.3° | 179.7° |
| C09 | C10 | C11 | C27 | 1.0° | 0.3° |
| C09 | C10 | C11 | H101 | 180.0° | 179.9° |
| C09 | C10 | C11 | N12 | 179.8° | 179.9° |
| C10 | C09 | C08 | H081 | 179.8° | 180.0° |
| C27 | C11 | C10 | N12 | 178.8° | 179.8° |
| C27 | C11 | N12 | C13 | 21.9° | 145.6° |
| C27 | C11 | C10 | H101 | 179.0° | 179.8° |
| C27 | C11 | N12 | H121 | 158.1° | 34.4° |
| C10 | C11 | N12 | C13 | 156.8° | 34.2° |
| C11 | C10 | C09 | H091 | 179.7° | 180.0° |
| C10 | C11 | C27 | H271 | 178.5° | 179.7° |
| C10 | C11 | N12 | H121 | 23.2° | 145.8° |
| C11 | N12 | C13 | H121 | 180.0° | 180.0° |
| C11 | N12 | C13 | O26 | 0.1° | 5.1° |
| C11 | N12 | C13 | C14 | 178.5° | 174.9° |
| N12 | C11 | C10 | H101 | 0.2° | 0.0° |
| N12 | C11 | C27 | H271 | 0.2° | 0.1° |
| N12 | C13 | O26 | C14 | 178.6° | 180.0° |
| N12 | C13 | C14 | C25 | 77.9° | 60.0° |
| N12 | C13 | C14 | O16 | 38.6° | 180.0° |
| N12 | C13 | C14 | C15 | 160.5° | 60.0° |
| O26 | C13 | C14 | C25 | 103.4° | 120.0° |
| O26 | C13 | C14 | O16 | 140.1° | 0.0° |
| O26 | C13 | C14 | C15 | 18.1° | 120.0° |
| O26 | C13 | N12 | H121 | 179.9° | 174.9° |
| C13 | C14 | C25 | O16 | 117.8° | 120.0° |
| C13 | C14 | C25 | C15 | 122.2° | 120.0° |
| C13 | C14 | O16 | C15 | 122.4° | 120.0° |
| C13 | C14 | O16 | C17 | 60.1° | 62.2° |
| C13 | C14 | C15 | H153 | 180.0° | 51.8° |
| C13 | C14 | C15 | H151 | 60.0° | 171.8° |
| C13 | C14 | C15 | H152 | 60.0° | 68.2° |
| C13 | C14 | C25 | H251 | 180.0° | 64.8° |
| C13 | C14 | C25 | H252 | 60.0° | 175.2° |
| C13 | C14 | C25 | H253 | 60.0° | 55.3° |
| C14 | C13 | N12 | H121 | 1.5° | 5.1° |
| C25 | C14 | O16 | C15 | 119.8° | 120.1° |
| C25 | C14 | O16 | C17 | 177.9° | 177.8° |
| C25 | C14 | C15 | H153 | 59.1° | 68.2° |
| C25 | C14 | C15 | H151 | 60.9° | 51.8° |
| C25 | C14 | C15 | H152 | 179.1° | 171.9° |
| C14 | C25 | H251 | H252 | 120.0° | 120.0° |
| C14 | C25 | H251 | H253 | 120.0° | 120.0° |
| C14 | C25 | H252 | H253 | 120.0° | 120.0° |
| C14 | O16 | C17 | C24 | 1.8° | 6.1° |
| C14 | O16 | C17 | C18 | 178.7° | 174.1° |
| O16 | C14 | C15 | H153 | 58.8° | 171.8° |
| O16 | C14 | C15 | H151 | 178.8° | 68.2° |
| O16 | C14 | C15 | H152 | 61.2° | 51.8° |
| O16 | C14 | C25 | H251 | 62.2° | 55.2° |
| O16 | C14 | C25 | H252 | 57.8° | 64.8° |
| O16 | C14 | C25 | H253 | 177.8° | 175.3° |
| C15 | C14 | O16 | C17 | 62.3° | 57.8° |
| C14 | C15 | H153 | H151 | 120.0° | 120.0° |
| C14 | C15 | H153 | H152 | 120.0° | 120.0° |
| C14 | C15 | H151 | H152 | 120.0° | 120.0° |
| C15 | C14 | C25 | H251 | 57.8° | 175.3° |
| C15 | C14 | C25 | H252 | 177.8° | 55.3° |
| C15 | C14 | C25 | H253 | 62.2° | 64.7° |
| O16 | C17 | C24 | C18 | 179.5° | 179.7° |
| O16 | C17 | C24 | C22 | 179.9° | 179.8° |
| O16 | C17 | C18 | C19 | 179.9° | 179.7° |
| O16 | C17 | C18 | H181 | 0.1° | 0.3° |
| O16 | C17 | C24 | H241 | 0.1° | 0.2° |
| C17 | C24 | C22 | H241 | 180.0° | 180.0° |
| C17 | C24 | C22 | CL2 | 179.9° | 180.0° |
| C17 | C24 | C22 | C20 | 0.3° | 0.0° |
| C24 | C17 | C18 | C19 | 0.6° | 0.0° |
| C24 | C17 | C18 | H181 | 179.4° | 179.9° |
| C22 | C24 | C17 | C18 | 0.4° | 0.0° |
| C24 | C22 | CL2 | C20 | 179.6° | 180.0° |
| C24 | C22 | C20 | C19 | 0.4° | 0.0° |
| C24 | C22 | C20 | CL1 | 179.6° | 180.0° |
| C17 | C18 | C19 | H181 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 0.6° | 0.0° |
| C17 | C18 | C19 | H191 | 179.3° | 180.0° |
| C18 | C17 | C24 | H241 | 179.6° | 180.0° |
| CL2 | C22 | C20 | C19 | 180.0° | 180.0° |
| CL2 | C22 | C20 | CL1 | 0.0° | 0.0° |
| CL2 | C22 | C24 | H241 | 0.1° | 0.0° |
| C22 | C20 | C19 | C18 | 0.6° | 0.0° |
| C22 | C20 | C19 | CL1 | 180.0° | 180.0° |
| C22 | C20 | C19 | H191 | 179.4° | 180.0° |
| C20 | C22 | C24 | H241 | 179.7° | 180.0° |
| C18 | C19 | C20 | H191 | 180.0° | 180.0° |
| C18 | C19 | C20 | CL1 | 179.4° | 180.0° |
| C20 | C19 | C18 | H181 | 179.4° | 179.9° |
| CL1 | C20 | C19 | H191 | 0.6° | 0.0° |
| H081 | C08 | C09 | H091 | 0.2° | 0.1° |
| H091 | C09 | C10 | H101 | 0.3° | 0.1° |
| H153 | C15 | H151 | H152 | 120.0° | 120.0° |
| H181 | C18 | C19 | H191 | 0.7° | 0.1° |
| H251 | C25 | H252 | H253 | 120.0° | 120.0° |
