RZL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N19 | C18 | sing | 1.38Å | 1.45Å | |
| S16 | C15 | sing | 1.71Å | 1.63Å | Aromatic |
| S16 | C17 | sing | 1.76Å | 1.64Å | Aromatic |
| C15 | C14 | doub | 1.35Å | 1.42Å | Aromatic |
| C18 | C17 | sing | 1.47Å | 1.52Å | |
| C18 | N20 | doub | 1.31Å | 1.30Å | |
| C17 | C21 | doub | 1.35Å | 1.40Å | Aromatic |
| C14 | C21 | sing | 1.39Å | 1.53Å | Aromatic |
| C14 | C13 | sing | 1.48Å | 1.54Å | |
| C22 | C13 | doub | 1.39Å | 1.36Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.37Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| C24 | C11 | sing | 1.39Å | 1.37Å | Aromatic |
| C11 | N10 | sing | 1.40Å | 1.44Å | |
| N10 | C09 | sing | 1.35Å | 1.49Å | |
| O25 | C09 | doub | 1.21Å | 1.20Å | |
| C09 | C07 | sing | 1.51Å | 1.59Å | |
| C26 | C07 | sing | 1.53Å | 1.53Å | |
| C07 | O06 | sing | 1.43Å | 1.44Å | |
| C07 | C08 | sing | 1.53Å | 1.56Å | |
| O06 | C05 | sing | 1.36Å | 1.43Å | |
| C27 | C05 | doub | 1.39Å | 1.40Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.36Å | Aromatic |
| C05 | C04 | sing | 1.39Å | 1.39Å | Aromatic |
| C28 | C02 | doub | 1.38Å | 1.44Å | Aromatic |
| C04 | C03 | doub | 1.38Å | 1.40Å | Aromatic |
| C02 | C03 | sing | 1.38Å | 1.34Å | Aromatic |
| C02 | BR1 | sing | 1.89Å | 1.92Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C08 | H083 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H263 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| C28 | H281 | sing | 1.08Å | 1.08Å | |
| N10 | H101 | sing | 0.97Å | 1.00Å | |
| N19 | H192 | sing | 0.97Å | 1.00Å | |
| N20 | H201 | sing | 0.97Å | 1.00Å | |
| N19 | H191 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N19 | C18 | C17 | 119.3° | 120.0° |
| N19 | C18 | N20 | 123.4° | 120.0° |
| C18 | N19 | H192 | 120.0° | 120.0° |
| C18 | N19 | H191 | 120.0° | 120.0° |
| C15 | S16 | C17 | 99.9° | 91.7° |
| S16 | C15 | C14 | 108.5° | 110.7° |
| S16 | C15 | H151 | 125.7° | 124.6° |
| S16 | C17 | C18 | 127.3° | 125.2° |
| S16 | C17 | C21 | 111.0° | 109.6° |
| C15 | C14 | C21 | 111.9° | 114.5° |
| C15 | C14 | C13 | 126.2° | 122.8° |
| C14 | C15 | H151 | 125.7° | 124.6° |
| C17 | C18 | N20 | 117.3° | 120.0° |
| C18 | C17 | C21 | 121.7° | 125.2° |
| C18 | N20 | H201 | 112.0° | 120.0° |
| C17 | C21 | C14 | 108.6° | 113.5° |
| C17 | C21 | H211 | 125.7° | 123.2° |
| C21 | C14 | C13 | 121.9° | 122.7° |
| C14 | C21 | H211 | 125.7° | 123.3° |
| C14 | C13 | C22 | 118.5° | 120.1° |
| C14 | C13 | C12 | 119.5° | 120.1° |
| C13 | C22 | C23 | 119.7° | 120.0° |
| C22 | C13 | C12 | 122.0° | 119.8° |
| C13 | C22 | H221 | 120.2° | 120.0° |
| C22 | C23 | C24 | 119.3° | 120.2° |
| C23 | C22 | H221 | 120.2° | 120.0° |
| C22 | C23 | H231 | 120.4° | 119.9° |
| C13 | C12 | C11 | 117.7° | 119.8° |
| C13 | C12 | H121 | 121.1° | 120.1° |
| C23 | C24 | C11 | 120.7° | 120.1° |
| C24 | C23 | H231 | 120.3° | 119.8° |
| C23 | C24 | H241 | 119.6° | 120.0° |
| C12 | C11 | C24 | 120.6° | 120.0° |
| C12 | C11 | N10 | 123.0° | 120.0° |
| C11 | C12 | H121 | 121.2° | 120.1° |
| C24 | C11 | N10 | 116.4° | 120.0° |
| C11 | C24 | H241 | 119.7° | 119.9° |
| C11 | N10 | C09 | 125.0° | 120.0° |
| C11 | N10 | H101 | 117.5° | 120.0° |
| N10 | C09 | O25 | 123.4° | 120.0° |
| N10 | C09 | C07 | 114.9° | 120.0° |
| C09 | N10 | H101 | 117.5° | 119.9° |
| O25 | C09 | C07 | 121.7° | 120.0° |
| C09 | C07 | C26 | 108.4° | 109.4° |
| C09 | C07 | O06 | 108.7° | 109.4° |
| C09 | C07 | C08 | 111.1° | 109.5° |
| C26 | C07 | O06 | 106.2° | 109.5° |
| C26 | C07 | C08 | 109.9° | 109.5° |
| C07 | C26 | H261 | 109.5° | 109.5° |
| C07 | C26 | H263 | 109.4° | 109.5° |
| C07 | C26 | H262 | 109.5° | 109.4° |
| O06 | C07 | C08 | 112.3° | 109.5° |
| C07 | O06 | C05 | 122.7° | 117.0° |
| C07 | C08 | H083 | 109.5° | 109.5° |
| C07 | C08 | H082 | 109.5° | 109.5° |
| C07 | C08 | H081 | 109.5° | 109.5° |
| O06 | C05 | C27 | 123.0° | 120.1° |
| O06 | C05 | C04 | 117.3° | 120.0° |
| C05 | C27 | C28 | 120.2° | 120.0° |
| C27 | C05 | C04 | 119.7° | 119.9° |
| C05 | C27 | H271 | 119.9° | 120.0° |
| C27 | C28 | C02 | 119.3° | 120.0° |
| C28 | C27 | H271 | 119.9° | 120.0° |
| C27 | C28 | H281 | 120.3° | 120.0° |
| C05 | C04 | C03 | 120.5° | 120.0° |
| C05 | C04 | H041 | 119.7° | 120.0° |
| C28 | C02 | C03 | 120.8° | 120.1° |
| C28 | C02 | BR1 | 120.0° | 119.9° |
| C02 | C28 | H281 | 120.4° | 120.0° |
| C04 | C03 | C02 | 119.5° | 120.0° |
| C04 | C03 | H031 | 120.2° | 120.0° |
| C03 | C04 | H041 | 119.8° | 120.0° |
| C03 | C02 | BR1 | 119.2° | 120.0° |
| C02 | C03 | H031 | 120.2° | 119.9° |
| H083 | C08 | H082 | 109.5° | 109.5° |
| H083 | C08 | H081 | 109.5° | 109.5° |
| H082 | C08 | H081 | 109.5° | 109.5° |
| H261 | C26 | H263 | 109.5° | 109.5° |
| H261 | C26 | H262 | 109.4° | 109.5° |
| H263 | C26 | H262 | 109.5° | 109.5° |
| H192 | N19 | H191 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N19 | C18 | C17 | S16 | 5.4° | 0.5° |
| N19 | C18 | C17 | N20 | 178.5° | 180.0° |
| N19 | C18 | C17 | C21 | 174.7° | 179.9° |
| C18 | N19 | H192 | H191 | 180.0° | 180.0° |
| N19 | C18 | N20 | H201 | 178.4° | 180.0° |
| S16 | C15 | C14 | H151 | 180.0° | 180.0° |
| C15 | S16 | C17 | C18 | 179.4° | 179.9° |
| C15 | S16 | C17 | C21 | 0.8° | 0.4° |
| S16 | C15 | C14 | C21 | 0.4° | 0.0° |
| S16 | C15 | C14 | C13 | 178.9° | 179.8° |
| C17 | S16 | C15 | C14 | 0.7° | 0.2° |
| S16 | C17 | C18 | C21 | 179.8° | 179.5° |
| S16 | C17 | C18 | N20 | 176.1° | 179.5° |
| S16 | C17 | C21 | C14 | 0.6° | 0.4° |
| C17 | S16 | C15 | H151 | 179.3° | 179.7° |
| S16 | C17 | C21 | H211 | 179.4° | 179.6° |
| C15 | C14 | C21 | C17 | 0.1° | 0.3° |
| C15 | C14 | C21 | C13 | 179.3° | 179.8° |
| C15 | C14 | C13 | C22 | 11.9° | 179.4° |
| C15 | C14 | C13 | C12 | 170.0° | 0.2° |
| C15 | C14 | C21 | H211 | 179.9° | 179.8° |
| C18 | C17 | C21 | C14 | 179.5° | 180.0° |
| C18 | C17 | C21 | H211 | 0.5° | 0.1° |
| C17 | C18 | N19 | H192 | 178.3° | 0.0° |
| C17 | C18 | N20 | H201 | 0.0° | 0.1° |
| C17 | C18 | N19 | H191 | 1.7° | 180.0° |
| N20 | C18 | C17 | C21 | 3.7° | 0.0° |
| N20 | C18 | N19 | H192 | 0.0° | 180.0° |
| N20 | C18 | N19 | H191 | 180.0° | 0.0° |
| C17 | C21 | C14 | H211 | 180.0° | 180.0° |
| C17 | C21 | C14 | C13 | 179.5° | 179.9° |
| C21 | C14 | C13 | C22 | 167.3° | 0.4° |
| C21 | C14 | C13 | C12 | 10.8° | 180.0° |
| C21 | C14 | C15 | H151 | 179.6° | 179.9° |
| C14 | C13 | C22 | C12 | 178.1° | 179.6° |
| C14 | C13 | C22 | C23 | 179.7° | 179.7° |
| C14 | C13 | C12 | C11 | 179.7° | 180.0° |
| C14 | C13 | C12 | H121 | 0.3° | 0.0° |
| C13 | C14 | C15 | H151 | 1.1° | 0.3° |
| C13 | C14 | C21 | H211 | 0.5° | 0.0° |
| C14 | C13 | C22 | H221 | 0.3° | 0.3° |
| C13 | C22 | C23 | H221 | 180.0° | 179.9° |
| C13 | C22 | C23 | C24 | 1.1° | 0.5° |
| C22 | C13 | C12 | C11 | 1.7° | 0.3° |
| C22 | C13 | C12 | H121 | 178.4° | 179.7° |
| C13 | C22 | C23 | H231 | 178.9° | 179.9° |
| C23 | C22 | C13 | C12 | 1.6° | 0.1° |
| C22 | C23 | C24 | H231 | 180.0° | 179.4° |
| C22 | C23 | C24 | C11 | 0.7° | 0.8° |
| C22 | C23 | C24 | H241 | 179.3° | 180.0° |
| C13 | C12 | C11 | H121 | 180.0° | 180.0° |
| C13 | C12 | C11 | C24 | 1.2° | 0.0° |
| C13 | C12 | C11 | N10 | 179.5° | 180.0° |
| C12 | C13 | C22 | H221 | 178.4° | 180.0° |
| C23 | C24 | C11 | C12 | 0.8° | 0.5° |
| C23 | C24 | C11 | H241 | 180.0° | 179.2° |
| C23 | C24 | C11 | N10 | 179.9° | 179.5° |
| C24 | C23 | C22 | H221 | 178.9° | 179.5° |
| C12 | C11 | C24 | N10 | 179.3° | 180.0° |
| C12 | C11 | N10 | C09 | 23.3° | 34.3° |
| C12 | C11 | C24 | H241 | 179.2° | 179.7° |
| C12 | C11 | N10 | H101 | 156.7° | 145.6° |
| C24 | C11 | N10 | C09 | 155.9° | 145.7° |
| C24 | C11 | C12 | H121 | 178.8° | 180.0° |
| C11 | C24 | C23 | H231 | 179.3° | 179.8° |
| C24 | C11 | N10 | H101 | 24.1° | 34.4° |
| C11 | N10 | C09 | H101 | 180.0° | 179.9° |
| C11 | N10 | C09 | O25 | 0.4° | 5.1° |
| C11 | N10 | C09 | C07 | 178.7° | 174.9° |
| N10 | C11 | C12 | H121 | 0.4° | 0.0° |
| N10 | C11 | C24 | H241 | 0.1° | 0.3° |
| N10 | C09 | O25 | C07 | 179.0° | 180.0° |
| N10 | C09 | C07 | C26 | 77.3° | 60.0° |
| N10 | C09 | C07 | O06 | 37.8° | 180.0° |
| N10 | C09 | C07 | C08 | 161.9° | 60.0° |
| O25 | C09 | C07 | C26 | 103.7° | 120.0° |
| O25 | C09 | C07 | O06 | 141.2° | 0.0° |
| O25 | C09 | C07 | C08 | 17.2° | 120.0° |
| O25 | C09 | N10 | H101 | 179.7° | 175.0° |
| C09 | C07 | C26 | O06 | 116.7° | 120.0° |
| C09 | C07 | C26 | C08 | 121.6° | 120.0° |
| C09 | C07 | O06 | C08 | 123.3° | 120.0° |
| C09 | C07 | O06 | C05 | 59.1° | 61.4° |
| C09 | C07 | C08 | H083 | 180.0° | 175.1° |
| C09 | C07 | C08 | H082 | 60.0° | 55.1° |
| C09 | C07 | C08 | H081 | 60.0° | 64.9° |
| C09 | C07 | C26 | H261 | 180.0° | 66.0° |
| C09 | C07 | C26 | H263 | 60.0° | 54.1° |
| C09 | C07 | C26 | H262 | 60.0° | 174.0° |
| C07 | C09 | N10 | H101 | 1.3° | 5.0° |
| C26 | C07 | O06 | C08 | 120.2° | 120.1° |
| C26 | C07 | O06 | C05 | 175.5° | 58.5° |
| C26 | C07 | C08 | H083 | 60.0° | 55.1° |
| C26 | C07 | C08 | H082 | 60.0° | 64.9° |
| C26 | C07 | C08 | H081 | 180.0° | 175.1° |
| C07 | C26 | H261 | H263 | 120.0° | 120.0° |
| C07 | C26 | H261 | H262 | 120.0° | 120.0° |
| C07 | C26 | H263 | H262 | 120.0° | 119.9° |
| C07 | O06 | C05 | C27 | 1.1° | 5.7° |
| C07 | O06 | C05 | C04 | 177.7° | 174.3° |
| O06 | C07 | C08 | H083 | 58.0° | 65.0° |
| O06 | C07 | C08 | H082 | 178.0° | 175.0° |
| O06 | C07 | C08 | H081 | 62.0° | 55.0° |
| O06 | C07 | C26 | H261 | 63.4° | 54.0° |
| O06 | C07 | C26 | H263 | 56.7° | 174.0° |
| O06 | C07 | C26 | H262 | 176.7° | 66.0° |
| C08 | C07 | O06 | C05 | 64.3° | 178.6° |
| C07 | C08 | H083 | H082 | 120.0° | 120.0° |
| C07 | C08 | H083 | H081 | 120.0° | 120.0° |
| C07 | C08 | H082 | H081 | 120.0° | 120.0° |
| C08 | C07 | C26 | H261 | 58.4° | 174.0° |
| C08 | C07 | C26 | H263 | 178.4° | 65.9° |
| C08 | C07 | C26 | H262 | 61.6° | 54.0° |
| O06 | C05 | C27 | C04 | 178.8° | 180.0° |
| O06 | C05 | C27 | C28 | 179.4° | 179.7° |
| O06 | C05 | C04 | C03 | 179.9° | 180.0° |
| O06 | C05 | C04 | H041 | 0.1° | 0.0° |
| O06 | C05 | C27 | H271 | 0.6° | 0.0° |
| C05 | C27 | C28 | H271 | 180.0° | 179.8° |
| C05 | C27 | C28 | C02 | 0.3° | 0.6° |
| C27 | C05 | C04 | C03 | 1.1° | 0.0° |
| C27 | C05 | C04 | H041 | 178.9° | 180.0° |
| C05 | C27 | C28 | H281 | 179.7° | 180.0° |
| C28 | C27 | C05 | C04 | 0.6° | 0.3° |
| C27 | C28 | C02 | H281 | 180.0° | 179.4° |
| C27 | C28 | C02 | C03 | 0.4° | 0.6° |
| C27 | C28 | C02 | BR1 | 179.4° | 179.7° |
| C05 | C04 | C03 | H041 | 180.0° | 180.0° |
| C05 | C04 | C03 | C02 | 1.2° | 0.0° |
| C05 | C04 | C03 | H031 | 178.8° | 180.0° |
| C04 | C05 | C27 | H271 | 179.4° | 180.0° |
| C28 | C02 | C03 | C04 | 0.8° | 0.3° |
| C28 | C02 | C03 | BR1 | 179.8° | 179.7° |
| C28 | C02 | C03 | H031 | 179.2° | 179.7° |
| C02 | C28 | C27 | H271 | 179.7° | 179.7° |
| C04 | C03 | C02 | H031 | 180.0° | 180.0° |
| C04 | C03 | C02 | BR1 | 178.9° | 180.0° |
| C02 | C03 | C04 | H041 | 178.8° | 180.0° |
| C03 | C02 | C28 | H281 | 179.6° | 180.0° |
| BR1 | C02 | C03 | H031 | 1.1° | 0.0° |
| BR1 | C02 | C28 | H281 | 0.6° | 0.3° |
| H031 | C03 | C04 | H041 | 1.2° | 0.0° |
| H083 | C08 | H082 | H081 | 120.0° | 120.0° |
| H221 | C22 | C23 | H231 | 1.1° | 0.0° |
| H231 | C23 | C24 | H241 | 0.7° | 0.6° |
| H261 | C26 | H263 | H262 | 120.0° | 120.0° |
| H271 | C27 | C28 | H281 | 0.3° | 0.2° |
