RL5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O21 | C19 | doub | 1.22Å | 1.26Å | |
| C19 | O20 | sing | 1.35Å | 1.26Å | |
| C19 | C17 | sing | 1.47Å | 1.53Å | |
| C18 | C17 | doub | 1.36Å | 1.39Å | Aromatic |
| C18 | N14 | sing | 1.35Å | 1.32Å | Aromatic |
| C17 | N16 | sing | 1.36Å | 1.32Å | Aromatic |
| N14 | C13 | sing | 1.47Å | 1.44Å | |
| N14 | C15 | sing | 1.36Å | 1.31Å | Aromatic |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| O10 | C09 | doub | 1.22Å | 1.19Å | |
| N16 | C15 | doub | 1.30Å | 1.32Å | Aromatic |
| C12 | N11 | sing | 1.46Å | 1.45Å | |
| C09 | N11 | sing | 1.35Å | 1.45Å | |
| C09 | C07 | sing | 1.46Å | 1.53Å | |
| S08 | C07 | sing | 1.76Å | 1.70Å | Aromatic |
| S08 | C04 | sing | 1.71Å | 1.69Å | Aromatic |
| C07 | C06 | doub | 1.37Å | 1.40Å | Aromatic |
| C06 | N05 | sing | 1.31Å | 1.36Å | Aromatic |
| C04 | N05 | doub | 1.30Å | 1.33Å | Aromatic |
| C04 | N03 | sing | 1.38Å | 1.45Å | |
| N03 | C02 | sing | 1.46Å | 1.45Å | |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C02 | H022 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| N03 | H031 | sing | 0.97Å | 1.00Å | |
| N11 | H111 | sing | 0.97Å | 1.00Å | |
| O20 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O21 | C19 | O20 | 119.9° | 120.0° |
| O21 | C19 | C17 | 120.6° | 120.0° |
| O20 | C19 | C17 | 119.6° | 120.0° |
| C19 | O20 | H1 | 109.5° | 117.0° |
| C19 | C17 | C18 | 127.7° | 126.2° |
| C19 | C17 | N16 | 125.6° | 126.2° |
| C17 | C18 | N14 | 106.5° | 106.8° |
| C18 | C17 | N16 | 106.8° | 107.6° |
| C17 | C18 | H181 | 126.8° | 126.6° |
| C18 | N14 | C13 | 128.7° | 126.1° |
| C18 | N14 | C15 | 108.8° | 107.8° |
| N14 | C18 | H181 | 126.7° | 126.5° |
| C17 | N16 | C15 | 108.7° | 108.8° |
| C13 | N14 | C15 | 122.5° | 126.1° |
| N14 | C13 | C12 | 104.4° | 109.5° |
| N14 | C13 | H131 | 110.7° | 109.5° |
| N14 | C13 | H132 | 110.7° | 109.5° |
| N14 | C15 | N16 | 109.2° | 109.0° |
| N14 | C15 | H151 | 125.4° | 125.5° |
| C13 | C12 | N11 | 114.6° | 109.5° |
| C12 | C13 | H131 | 110.7° | 109.5° |
| C12 | C13 | H132 | 110.7° | 109.5° |
| C13 | C12 | H121 | 108.1° | 109.5° |
| C13 | C12 | H122 | 108.2° | 109.5° |
| O10 | C09 | N11 | 120.1° | 120.0° |
| O10 | C09 | C07 | 120.2° | 120.0° |
| N16 | C15 | H151 | 125.4° | 125.5° |
| C12 | N11 | C09 | 119.3° | 120.0° |
| N11 | C12 | H121 | 108.2° | 109.5° |
| N11 | C12 | H122 | 108.2° | 109.5° |
| C12 | N11 | H111 | 120.4° | 120.0° |
| N11 | C09 | C07 | 119.7° | 120.0° |
| C09 | N11 | H111 | 120.3° | 120.0° |
| C09 | C07 | S08 | 129.0° | 126.1° |
| C09 | C07 | C06 | 126.1° | 126.1° |
| C07 | S08 | C04 | 96.9° | 90.4° |
| S08 | C07 | C06 | 104.8° | 107.8° |
| S08 | C04 | N05 | 107.4° | 110.5° |
| S08 | C04 | N03 | 127.7° | 124.8° |
| C07 | C06 | N05 | 115.2° | 114.0° |
| C07 | C06 | H061 | 122.4° | 123.0° |
| C06 | N05 | C04 | 115.7° | 117.3° |
| N05 | C06 | H061 | 122.4° | 123.0° |
| N05 | C04 | N03 | 125.0° | 124.7° |
| C04 | N03 | C02 | 118.9° | 120.0° |
| C04 | N03 | H031 | 107.1° | 120.0° |
| N03 | C02 | C01 | 110.9° | 109.5° |
| N03 | C02 | H021 | 109.1° | 109.5° |
| N03 | C02 | H022 | 109.1° | 109.4° |
| C02 | N03 | H031 | 107.1° | 120.0° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.4° | 109.4° |
| C02 | C01 | H013 | 109.4° | 109.5° |
| C01 | C02 | H021 | 109.1° | 109.5° |
| C01 | C02 | H022 | 109.1° | 109.5° |
| H131 | C13 | H132 | 109.5° | 109.5° |
| H121 | C12 | H122 | 109.5° | 109.5° |
| H011 | C01 | H012 | 109.5° | 109.4° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H021 | C02 | H022 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O21 | C19 | O20 | C17 | 179.6° | 179.9° |
| O21 | C19 | C17 | C18 | 36.8° | 0.1° |
| O21 | C19 | C17 | N16 | 143.0° | 180.0° |
| O21 | C19 | O20 | H1 | 0.0° | 0.0° |
| O20 | C19 | C17 | C18 | 143.7° | 180.0° |
| O20 | C19 | C17 | N16 | 36.5° | 0.0° |
| C19 | C17 | C18 | N16 | 179.8° | 180.0° |
| C19 | C17 | C18 | N14 | 179.4° | 180.0° |
| C19 | C17 | N16 | C15 | 179.7° | 180.0° |
| C19 | C17 | C18 | H181 | 0.6° | 0.3° |
| C17 | C19 | O20 | H1 | 179.5° | 180.0° |
| C17 | C18 | N14 | H181 | 180.0° | 179.7° |
| C17 | C18 | N14 | C13 | 179.4° | 180.0° |
| C17 | C18 | N14 | C15 | 0.6° | 0.1° |
| C18 | C17 | N16 | C15 | 0.1° | 0.0° |
| N14 | C18 | C17 | N16 | 0.5° | 0.0° |
| C18 | N14 | C13 | C15 | 178.7° | 180.0° |
| C18 | N14 | C13 | C12 | 110.0° | 90.0° |
| C18 | N14 | C15 | N16 | 0.5° | 0.1° |
| C18 | N14 | C15 | H151 | 179.5° | 180.0° |
| C18 | N14 | C13 | H131 | 130.8° | 30.0° |
| C18 | N14 | C13 | H132 | 9.1° | 150.0° |
| C17 | N16 | C15 | N14 | 0.2° | 0.0° |
| N16 | C17 | C18 | H181 | 179.6° | 179.7° |
| C17 | N16 | C15 | H151 | 179.8° | 180.0° |
| N14 | C13 | C12 | H131 | 119.2° | 120.0° |
| N14 | C13 | C12 | H132 | 119.2° | 120.0° |
| C13 | N14 | C15 | N16 | 179.4° | 180.0° |
| N14 | C13 | C12 | N11 | 127.7° | 180.0° |
| C13 | N14 | C18 | H181 | 0.6° | 0.3° |
| C13 | N14 | C15 | H151 | 0.6° | 0.1° |
| N14 | C13 | H131 | H132 | 122.4° | 120.0° |
| N14 | C13 | C12 | H121 | 111.5° | 60.0° |
| N14 | C13 | C12 | H122 | 6.9° | 60.0° |
| C15 | N14 | C13 | C12 | 68.6° | 90.0° |
| N14 | C15 | N16 | H151 | 180.0° | 179.9° |
| C15 | N14 | C18 | H181 | 179.4° | 179.8° |
| C15 | N14 | C13 | H131 | 50.5° | 150.0° |
| C15 | N14 | C13 | H132 | 172.2° | 30.0° |
| C13 | C12 | N11 | H121 | 120.7° | 120.0° |
| C13 | C12 | N11 | H122 | 120.8° | 120.0° |
| C13 | C12 | N11 | C09 | 81.7° | 180.0° |
| C12 | C13 | H131 | H132 | 122.3° | 120.0° |
| C13 | C12 | H121 | H122 | 117.6° | 120.0° |
| C13 | C12 | N11 | H111 | 98.3° | 0.0° |
| O10 | C09 | N11 | C12 | 2.1° | 0.1° |
| O10 | C09 | N11 | C07 | 179.1° | 179.9° |
| O10 | C09 | C07 | S08 | 14.4° | 179.6° |
| O10 | C09 | C07 | C06 | 164.9° | 0.1° |
| O10 | C09 | N11 | H111 | 177.9° | 180.0° |
| C12 | N11 | C09 | H111 | 180.0° | 180.0° |
| C12 | N11 | C09 | C07 | 178.8° | 180.0° |
| N11 | C12 | C13 | H131 | 8.5° | 60.0° |
| N11 | C12 | C13 | H132 | 113.1° | 60.0° |
| N11 | C12 | H121 | H122 | 117.7° | 120.0° |
| N11 | C09 | C07 | S08 | 164.6° | 0.5° |
| N11 | C09 | C07 | C06 | 16.0° | 180.0° |
| C09 | N11 | C12 | H121 | 39.0° | 60.0° |
| C09 | N11 | C12 | H122 | 157.5° | 60.0° |
| C09 | C07 | S08 | C06 | 179.5° | 179.6° |
| C09 | C07 | S08 | C04 | 179.6° | 179.8° |
| C09 | C07 | C06 | N05 | 179.7° | 179.9° |
| C09 | C07 | C06 | H061 | 0.3° | 0.5° |
| C07 | C09 | N11 | H111 | 1.2° | 0.0° |
| S08 | C07 | C06 | N05 | 0.2° | 0.4° |
| C07 | S08 | C04 | N05 | 0.1° | 0.0° |
| C07 | S08 | C04 | N03 | 179.8° | 179.7° |
| S08 | C07 | C06 | H061 | 179.8° | 179.9° |
| C04 | S08 | C07 | C06 | 0.2° | 0.2° |
| S08 | C04 | N05 | C06 | 0.0° | 0.2° |
| S08 | C04 | N05 | N03 | 179.9° | 179.7° |
| S08 | C04 | N03 | C02 | 143.9° | 179.7° |
| S08 | C04 | N03 | H031 | 22.6° | 0.3° |
| C07 | C06 | N05 | H061 | 180.0° | 179.6° |
| C07 | C06 | N05 | C04 | 0.1° | 0.4° |
| C06 | N05 | C04 | N03 | 179.9° | 179.9° |
| N05 | C04 | N03 | C02 | 36.0° | 0.0° |
| C04 | N05 | C06 | H061 | 179.9° | 180.0° |
| N05 | C04 | N03 | H031 | 157.3° | 180.0° |
| C04 | N03 | C02 | H031 | 121.3° | 179.9° |
| C04 | N03 | C02 | C01 | 137.5° | 180.0° |
| C04 | N03 | C02 | H021 | 17.3° | 60.0° |
| C04 | N03 | C02 | H022 | 102.3° | 60.1° |
| N03 | C02 | C01 | H021 | 120.2° | 120.0° |
| N03 | C02 | C01 | H022 | 120.2° | 120.0° |
| N03 | C02 | C01 | H011 | 180.0° | 60.0° |
| N03 | C02 | C01 | H012 | 60.0° | 180.0° |
| N03 | C02 | C01 | H013 | 60.0° | 60.0° |
| N03 | C02 | H021 | H022 | 119.3° | 120.0° |
| C02 | C01 | H011 | H012 | 120.0° | 119.9° |
| C02 | C01 | H011 | H013 | 120.0° | 120.1° |
| C02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C01 | C02 | H021 | H022 | 119.3° | 120.0° |
| C01 | C02 | N03 | H031 | 101.2° | 0.0° |
| H131 | C13 | C12 | H121 | 129.3° | 60.0° |
| H131 | C13 | C12 | H122 | 112.3° | NaN° |
| H132 | C13 | C12 | H121 | 7.7° | 180.0° |
| H132 | C13 | C12 | H122 | 126.1° | 60.0° |
| H121 | C12 | N11 | H111 | 141.0° | 120.0° |
| H122 | C12 | N11 | H111 | 22.5° | 120.0° |
| H011 | C01 | H012 | H013 | 120.0° | 120.0° |
| H011 | C01 | C02 | H021 | 59.8° | 180.0° |
| H011 | C01 | C02 | H022 | 59.8° | 59.9° |
| H012 | C01 | C02 | H021 | 179.8° | 60.0° |
| H012 | C01 | C02 | H022 | 60.2° | 60.0° |
| H013 | C01 | C02 | H021 | 60.2° | 60.0° |
| H013 | C01 | C02 | H022 | 179.8° | 180.0° |
| H021 | C02 | N03 | H031 | 138.6° | 120.0° |
| H022 | C02 | N03 | H031 | 19.0° | 120.0° |
