6LG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C05 | N03 | sing | 1.47Å | 1.44Å | |
| C04 | N03 | sing | 1.46Å | 1.44Å | |
| N03 | C02 | sing | 1.35Å | 1.45Å | |
| C20 | C21 | sing | 1.53Å | 1.44Å | |
| C20 | N19 | sing | 1.47Å | 1.46Å | |
| C02 | O01 | doub | 1.22Å | 1.22Å | |
| C02 | C06 | sing | 1.48Å | 1.53Å | |
| C21 | N19 | sing | 1.47Å | 1.46Å | |
| N19 | P15 | sing | 1.68Å | 1.67Å | |
| C07 | C06 | doub | 1.40Å | 1.39Å | Aromatic |
| C07 | C08 | sing | 1.39Å | 1.39Å | Aromatic |
| O22 | P15 | doub | 1.48Å | 1.48Å | |
| C06 | C32 | sing | 1.40Å | 1.39Å | Aromatic |
| O09 | C08 | sing | 1.36Å | 1.42Å | |
| O09 | C10 | sing | 1.36Å | 1.42Å | |
| C08 | C30 | doub | 1.39Å | 1.40Å | Aromatic |
| O14 | P15 | sing | 1.61Å | 1.61Å | |
| O14 | C13 | sing | 1.43Å | 1.41Å | |
| P15 | N16 | sing | 1.68Å | 1.67Å | |
| C11 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | C26 | sing | 1.39Å | 1.40Å | Aromatic |
| C23 | C13 | sing | 1.53Å | 1.50Å | |
| C32 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| O28 | N27 | doub | 1.22Å | 1.38Å | |
| C13 | C12 | sing | 1.51Å | 1.53Å | |
| C12 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
| C26 | N27 | sing | 1.48Å | 1.43Å | |
| C26 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| N27 | O29 | sing | 1.22Å | 1.23Å | |
| C30 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| N16 | C18 | sing | 1.48Å | 1.46Å | |
| N16 | C17 | sing | 1.47Å | 1.47Å | |
| C24 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | C17 | sing | 1.53Å | 1.45Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H043 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C05 | H053 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H233 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C05 | N03 | C04 | 116.9° | 120.0° |
| C05 | N03 | C02 | 120.8° | 120.0° |
| N03 | C05 | H053 | 109.5° | 109.5° |
| N03 | C05 | H051 | 109.5° | 109.5° |
| N03 | C05 | H052 | 109.4° | 109.4° |
| C04 | N03 | C02 | 122.4° | 120.0° |
| N03 | C04 | H041 | 109.5° | 109.5° |
| N03 | C04 | H043 | 109.5° | 109.5° |
| N03 | C04 | H042 | 109.5° | 109.5° |
| N03 | C02 | O01 | 119.8° | 120.0° |
| N03 | C02 | C06 | 122.3° | 120.0° |
| C21 | C20 | N19 | 60.4° | 58.6° |
| C20 | C21 | N19 | 60.2° | 58.6° |
| C21 | C20 | H202 | 120.0° | 117.6° |
| C21 | C20 | H201 | 120.0° | 117.7° |
| C20 | C21 | H211 | 120.0° | 117.6° |
| C20 | C21 | H212 | 120.0° | 117.7° |
| C20 | N19 | C21 | 59.4° | 62.8° |
| C20 | N19 | P15 | 147.7° | 111.0° |
| N19 | C20 | H202 | 119.9° | 117.6° |
| N19 | C20 | H201 | 119.9° | 117.6° |
| O01 | C02 | C06 | 117.9° | 120.0° |
| C02 | C06 | C07 | 120.0° | 120.1° |
| C02 | C06 | C32 | 120.1° | 120.1° |
| C21 | N19 | P15 | 147.4° | 111.0° |
| N19 | C21 | H211 | 120.0° | 117.6° |
| N19 | C21 | H212 | 120.0° | 117.7° |
| N19 | P15 | O22 | 109.2° | 109.4° |
| N19 | P15 | O14 | 102.8° | 109.5° |
| N19 | P15 | N16 | 109.4° | 109.5° |
| C06 | C07 | C08 | 120.6° | 119.8° |
| C07 | C06 | C32 | 120.0° | 119.8° |
| C06 | C07 | H071 | 119.7° | 120.1° |
| C07 | C08 | O09 | 118.7° | 120.0° |
| C07 | C08 | C30 | 118.9° | 120.0° |
| C08 | C07 | H071 | 119.7° | 120.1° |
| O22 | P15 | O14 | 107.3° | 109.5° |
| O22 | P15 | N16 | 106.2° | 109.5° |
| C06 | C32 | C31 | 119.8° | 120.0° |
| C06 | C32 | H321 | 120.1° | 120.1° |
| C08 | O09 | C10 | 113.3° | 118.0° |
| O09 | C08 | C30 | 122.4° | 120.0° |
| O09 | C10 | C11 | 119.3° | 120.0° |
| O09 | C10 | C26 | 121.1° | 120.1° |
| C08 | C30 | C31 | 120.5° | 120.3° |
| C08 | C30 | H301 | 119.8° | 119.8° |
| P15 | O14 | C13 | 130.4° | 123.0° |
| O14 | P15 | N16 | 121.6° | 109.5° |
| O14 | C13 | C23 | 106.2° | 109.5° |
| O14 | C13 | C12 | 107.2° | 109.5° |
| O14 | C13 | H131 | 111.8° | 109.5° |
| P15 | N16 | C18 | 142.6° | 111.0° |
| P15 | N16 | C17 | 147.0° | 111.0° |
| C10 | C11 | C12 | 121.2° | 119.9° |
| C11 | C10 | C26 | 119.6° | 119.9° |
| C10 | C11 | H111 | 119.4° | 120.0° |
| C11 | C12 | C13 | 117.9° | 120.0° |
| C11 | C12 | C24 | 119.3° | 120.1° |
| C12 | C11 | H111 | 119.4° | 120.1° |
| C10 | C26 | N27 | 120.6° | 120.0° |
| C10 | C26 | C25 | 119.4° | 120.0° |
| C23 | C13 | C12 | 111.1° | 109.5° |
| C23 | C13 | H131 | 110.3° | 109.4° |
| C13 | C23 | H231 | 109.5° | 109.5° |
| C13 | C23 | H232 | 109.4° | 109.4° |
| C13 | C23 | H233 | 109.5° | 109.5° |
| C32 | C31 | C30 | 120.2° | 120.2° |
| C32 | C31 | H311 | 119.9° | 119.9° |
| C31 | C32 | H321 | 120.1° | 120.0° |
| O28 | N27 | C26 | 119.8° | 120.0° |
| O28 | N27 | O29 | 121.1° | 119.9° |
| C13 | C12 | C24 | 122.8° | 119.9° |
| C12 | C13 | H131 | 110.0° | 109.4° |
| C12 | C24 | C25 | 119.4° | 120.1° |
| C12 | C24 | H241 | 120.3° | 119.9° |
| N27 | C26 | C25 | 120.0° | 120.0° |
| C26 | N27 | O29 | 119.0° | 120.0° |
| C26 | C25 | C24 | 121.1° | 120.0° |
| C26 | C25 | H251 | 119.5° | 120.0° |
| C31 | C30 | H301 | 119.8° | 119.9° |
| C30 | C31 | H311 | 119.9° | 119.9° |
| C18 | N16 | C17 | 59.1° | 62.6° |
| N16 | C18 | C17 | 60.6° | 58.5° |
| N16 | C18 | H182 | 119.9° | 117.6° |
| N16 | C18 | H181 | 119.9° | 117.6° |
| N16 | C17 | C18 | 60.3° | 58.9° |
| N16 | C17 | H172 | 120.0° | 117.6° |
| N16 | C17 | H171 | 120.0° | 117.6° |
| C25 | C24 | H241 | 120.3° | 119.9° |
| C24 | C25 | H251 | 119.5° | 120.0° |
| C18 | C17 | H172 | 120.0° | 117.6° |
| C18 | C17 | H171 | 120.0° | 117.6° |
| C17 | C18 | H182 | 119.9° | 117.7° |
| C17 | C18 | H181 | 119.9° | 117.6° |
| H172 | C17 | H171 | 109.5° | 115.7° |
| H202 | C20 | H201 | 109.4° | 115.7° |
| H211 | C21 | H212 | 109.5° | 115.7° |
| H041 | C04 | H043 | 109.5° | 109.4° |
| H041 | C04 | H042 | 109.4° | 109.4° |
| H043 | C04 | H042 | 109.5° | 109.5° |
| H053 | C05 | H051 | 109.4° | 109.5° |
| H053 | C05 | H052 | 109.5° | 109.5° |
| H051 | C05 | H052 | 109.5° | 109.5° |
| H182 | C18 | H181 | 109.4° | 115.8° |
| H231 | C23 | H232 | 109.5° | 109.5° |
| H231 | C23 | H233 | 109.5° | 109.5° |
| H232 | C23 | H233 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C05 | N03 | C04 | C02 | 179.8° | 180.0° |
| C05 | N03 | C02 | O01 | 0.2° | 174.2° |
| C05 | N03 | C02 | C06 | 180.0° | 5.9° |
| C05 | N03 | C04 | H041 | 180.0° | 90.0° |
| C05 | N03 | C04 | H043 | 60.0° | 30.0° |
| C05 | N03 | C04 | H042 | 60.0° | 150.0° |
| N03 | C05 | H053 | H051 | 120.0° | 120.0° |
| N03 | C05 | H053 | H052 | 120.0° | 120.0° |
| N03 | C05 | H051 | H052 | 120.0° | 119.9° |
| C04 | N03 | C02 | O01 | 179.6° | 5.8° |
| C04 | N03 | C02 | C06 | 0.3° | 174.2° |
| N03 | C04 | H041 | H043 | 120.0° | 120.0° |
| N03 | C04 | H041 | H042 | 120.0° | 120.1° |
| N03 | C04 | H043 | H042 | 120.0° | 120.0° |
| C04 | N03 | C05 | H053 | 180.0° | 176.1° |
| C04 | N03 | C05 | H051 | 60.0° | 56.2° |
| C04 | N03 | C05 | H052 | 60.0° | 63.8° |
| N03 | C02 | O01 | C06 | 179.8° | 180.0° |
| N03 | C02 | C06 | C07 | 59.8° | 34.5° |
| N03 | C02 | C06 | C32 | 119.9° | 145.8° |
| C02 | N03 | C04 | H041 | 0.2° | 90.0° |
| C02 | N03 | C04 | H043 | 120.3° | 150.0° |
| C02 | N03 | C04 | H042 | 119.7° | 30.0° |
| C02 | N03 | C05 | H053 | 0.2° | 3.8° |
| C02 | N03 | C05 | H051 | 119.8° | 123.8° |
| C02 | N03 | C05 | H052 | 120.2° | 116.2° |
| C21 | C20 | N19 | H202 | 109.6° | 107.1° |
| C21 | C20 | N19 | H201 | 109.6° | 107.2° |
| C20 | C21 | N19 | H211 | 109.6° | 107.0° |
| C20 | C21 | N19 | H212 | 109.5° | 107.1° |
| C21 | C20 | N19 | P15 | 153.7° | 103.5° |
| C21 | C20 | H202 | H201 | 144.5° | 146.6° |
| C20 | C21 | H211 | H212 | 144.6° | 146.4° |
| C20 | N19 | P15 | O22 | 18.4° | 60.0° |
| C20 | N19 | P15 | O14 | 95.2° | 60.0° |
| C20 | N19 | P15 | N16 | 134.2° | 180.0° |
| N19 | C20 | H202 | H201 | 144.5° | 146.4° |
| O01 | C02 | C06 | C07 | 120.4° | 145.5° |
| O01 | C02 | C06 | C32 | 59.9° | 34.3° |
| C02 | C06 | C07 | C32 | 179.8° | 179.8° |
| C02 | C06 | C07 | C08 | 179.8° | 180.0° |
| C02 | C06 | C32 | C31 | 179.7° | 179.7° |
| C02 | C06 | C07 | H071 | 0.2° | 0.0° |
| C02 | C06 | C32 | H321 | 0.3° | 0.0° |
| C21 | N19 | P15 | O22 | 153.3° | 7.9° |
| C21 | N19 | P15 | O14 | 39.6° | 127.8° |
| C21 | N19 | P15 | N16 | 90.9° | 112.2° |
| N19 | C21 | H211 | H212 | 144.6° | 146.5° |
| N19 | P15 | O22 | O14 | 110.8° | 120.0° |
| N19 | P15 | O22 | N16 | 117.8° | 120.0° |
| N19 | P15 | O14 | N16 | 122.7° | 120.0° |
| N19 | P15 | O14 | C13 | 134.1° | 79.1° |
| N19 | P15 | N16 | C18 | 110.3° | 174.4° |
| N19 | P15 | N16 | C17 | 7.3° | 106.7° |
| P15 | N19 | C20 | H202 | 44.1° | 3.6° |
| P15 | N19 | C20 | H201 | 96.7° | 149.3° |
| P15 | N19 | C21 | H211 | 96.5° | 149.4° |
| P15 | N19 | C21 | H212 | 44.4° | 3.5° |
| C06 | C07 | C08 | H071 | 180.0° | 180.0° |
| C06 | C07 | C08 | O09 | 179.9° | 180.0° |
| C06 | C07 | C08 | C30 | 0.1° | 0.0° |
| C07 | C06 | C32 | C31 | 0.6° | 0.5° |
| C07 | C06 | C32 | H321 | 179.5° | 179.8° |
| C08 | C07 | C06 | C32 | 0.4° | 0.2° |
| C07 | C08 | O09 | C30 | 179.9° | 180.0° |
| C07 | C08 | O09 | C10 | 167.0° | 103.2° |
| C07 | C08 | C30 | C31 | 0.0° | 0.0° |
| C07 | C08 | C30 | H301 | 180.0° | 180.0° |
| O22 | P15 | O14 | N16 | 122.2° | 120.1° |
| O22 | P15 | O14 | C13 | 110.8° | 40.8° |
| O22 | P15 | N16 | C18 | 7.4° | 65.6° |
| O22 | P15 | N16 | C17 | 125.1° | 133.3° |
| C06 | C32 | C31 | H321 | 180.0° | 179.7° |
| C06 | C32 | C31 | C30 | 0.4° | 0.6° |
| C32 | C06 | C07 | H071 | 179.6° | 179.8° |
| C06 | C32 | C31 | H311 | 179.5° | 179.7° |
| C08 | O09 | C10 | C11 | 64.4° | 4.4° |
| C08 | O09 | C10 | C26 | 117.2° | 175.4° |
| O09 | C08 | C30 | C31 | 179.9° | 180.0° |
| O09 | C08 | C07 | H071 | 0.1° | 0.0° |
| O09 | C08 | C30 | H301 | 0.0° | 0.0° |
| C10 | O09 | C08 | C30 | 12.9° | 76.7° |
| O09 | C10 | C11 | C26 | 178.4° | 179.7° |
| O09 | C10 | C11 | C12 | 179.9° | 179.7° |
| O09 | C10 | C26 | N27 | 1.8° | 0.0° |
| O09 | C10 | C26 | C25 | 179.5° | 180.0° |
| O09 | C10 | C11 | H111 | 0.1° | 0.3° |
| C08 | C30 | C31 | C32 | 0.2° | 0.3° |
| C08 | C30 | C31 | H301 | 180.0° | 179.9° |
| C30 | C08 | C07 | H071 | 179.9° | 180.0° |
| C08 | C30 | C31 | H311 | 179.8° | 180.0° |
| P15 | O14 | C13 | C23 | 123.2° | 118.0° |
| P15 | O14 | C13 | C12 | 117.9° | 121.9° |
| O14 | P15 | N16 | C18 | 130.2° | 54.4° |
| O14 | P15 | N16 | C17 | 112.2° | 13.3° |
| P15 | O14 | C13 | H131 | 2.8° | 2.0° |
| C13 | O14 | P15 | N16 | 11.4° | 160.9° |
| O14 | C13 | C12 | C11 | 10.0° | 140.0° |
| O14 | C13 | C23 | C12 | 116.3° | 120.0° |
| O14 | C13 | C23 | H131 | 121.4° | 120.0° |
| O14 | C13 | C12 | H131 | 121.8° | 120.0° |
| O14 | C13 | C12 | C24 | 170.3° | 40.0° |
| O14 | C13 | C23 | H231 | 180.0° | 175.0° |
| O14 | C13 | C23 | H232 | 60.0° | 55.1° |
| O14 | C13 | C23 | H233 | 60.0° | 65.0° |
| P15 | N16 | C18 | C17 | 145.8° | 103.6° |
| P15 | N16 | C17 | H172 | 31.6° | 3.7° |
| P15 | N16 | C17 | H171 | 109.3° | 149.4° |
| P15 | N16 | C18 | H182 | 104.5° | 3.5° |
| P15 | N16 | C18 | H181 | 36.2° | 149.4° |
| C10 | C11 | C12 | H111 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 178.7° | 180.0° |
| C10 | C11 | C12 | C24 | 1.0° | 0.0° |
| C11 | C10 | C26 | N27 | 179.8° | 179.7° |
| C11 | C10 | C26 | C25 | 1.1° | 0.3° |
| C12 | C11 | C10 | C26 | 1.5° | 0.0° |
| C11 | C12 | C13 | C23 | 125.7° | 100.0° |
| C11 | C12 | C13 | C24 | 179.7° | 180.0° |
| C11 | C12 | C24 | C25 | 0.2° | 0.3° |
| C11 | C12 | C13 | H131 | 111.8° | 20.0° |
| C11 | C12 | C24 | H241 | 179.8° | 179.7° |
| C10 | C26 | N27 | O28 | 21.8° | 0.0° |
| C10 | C26 | N27 | C25 | 178.7° | 180.0° |
| C10 | C26 | N27 | O29 | 160.1° | 180.0° |
| C10 | C26 | C25 | C24 | 0.3° | 0.6° |
| C26 | C10 | C11 | H111 | 178.5° | 180.0° |
| C10 | C26 | C25 | H251 | 179.8° | 180.0° |
| C23 | C13 | C12 | H131 | 122.5° | 119.9° |
| C23 | C13 | C12 | C24 | 54.6° | 80.0° |
| C13 | C23 | H231 | H232 | 120.0° | 119.9° |
| C13 | C23 | H231 | H233 | 120.0° | 120.0° |
| C13 | C23 | H232 | H233 | 120.0° | 120.0° |
| C32 | C31 | C30 | H311 | 180.0° | 179.7° |
| C32 | C31 | C30 | H301 | 179.8° | 179.7° |
| O28 | N27 | C26 | O29 | 178.1° | 179.9° |
| O28 | N27 | C26 | C25 | 156.9° | 180.0° |
| C13 | C12 | C24 | C25 | 179.5° | 179.7° |
| C13 | C12 | C24 | H241 | 0.5° | 0.3° |
| C13 | C12 | C11 | H111 | 1.4° | 0.0° |
| C12 | C13 | C23 | H231 | 63.7° | 55.0° |
| C12 | C13 | C23 | H232 | 56.3° | 65.0° |
| C12 | C13 | C23 | H233 | 176.3° | 175.0° |
| C12 | C24 | C25 | C26 | 0.2° | 0.6° |
| C12 | C24 | C25 | H241 | 180.0° | 179.4° |
| C24 | C12 | C13 | H131 | 67.9° | 160.1° |
| C24 | C12 | C11 | H111 | 179.0° | 180.0° |
| C12 | C24 | C25 | H251 | 179.8° | 180.0° |
| N27 | C26 | C25 | C24 | 179.0° | 179.4° |
| N27 | C26 | C25 | H251 | 1.0° | 0.0° |
| C25 | C26 | N27 | O29 | 21.2° | 0.0° |
| C26 | C25 | C24 | H251 | 180.0° | 179.4° |
| C26 | C25 | C24 | H241 | 179.8° | 180.0° |
| C30 | C31 | C32 | H321 | 179.6° | 179.8° |
| N16 | C18 | C17 | H182 | 109.6° | 107.0° |
| N16 | C18 | C17 | H181 | 109.7° | 107.0° |
| C18 | N16 | C17 | H172 | 109.5° | 107.2° |
| C18 | N16 | C17 | H171 | 109.5° | 107.2° |
| N16 | C18 | H182 | H181 | 144.4° | 146.5° |
| N16 | C17 | H172 | H171 | 144.6° | 146.3° |
| C18 | C17 | H172 | H171 | 144.6° | 146.3° |
| C17 | C18 | H182 | H181 | 144.4° | 146.6° |
| H131 | C13 | C23 | H231 | 58.6° | 65.0° |
| H131 | C13 | C23 | H232 | 178.6° | 175.1° |
| H131 | C13 | C23 | H233 | 61.4° | 55.1° |
| H172 | C17 | C18 | H182 | 140.8° | 0.2° |
| H172 | C17 | C18 | H181 | 0.1° | 145.8° |
| H171 | C17 | C18 | H182 | 0.1° | 145.8° |
| H171 | C17 | C18 | H181 | 140.8° | 0.1° |
| H202 | C20 | C21 | H211 | 140.9° | 145.8° |
| H202 | C20 | C21 | H212 | 0.0° | 0.1° |
| H201 | C20 | C21 | H211 | 0.1° | 0.1° |
| H201 | C20 | C21 | H212 | 140.9° | 145.8° |
| H241 | C24 | C25 | H251 | 0.2° | 0.6° |
| H041 | C04 | H043 | H042 | 120.0° | 119.9° |
| H053 | C05 | H051 | H052 | 120.0° | 120.1° |
| H231 | C23 | H232 | H233 | 120.0° | 120.1° |
| H301 | C30 | C31 | H311 | 0.2° | 0.0° |
| H311 | C31 | C32 | H321 | 0.4° | 0.1° |
