2LQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C05 | C04 | sing | 1.54Å | 1.63Å | |
| C05 | C06 | sing | 1.55Å | 1.60Å | |
| C04 | C03 | sing | 1.53Å | 1.61Å | |
| C06 | C07 | sing | 1.51Å | 1.42Å | |
| O01 | C02 | doub | 1.21Å | 1.23Å | |
| C02 | C03 | sing | 1.51Å | 1.54Å | |
| C02 | N11 | sing | 1.35Å | 1.39Å | |
| C03 | C10 | sing | 1.54Å | 1.60Å | |
| C07 | C08 | doub | 1.26Å | 1.31Å | |
| N11 | C12 | sing | 1.40Å | 1.39Å | |
| C12 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C08 | C09 | sing | 1.51Å | 1.43Å | |
| N23 | C19 | sing | 1.47Å | 1.46Å | |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C09 | sing | 1.55Å | 1.55Å | |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.51Å | 1.48Å | |
| C19 | C18 | sing | 1.53Å | 1.54Å | |
| C19 | C20 | sing | 1.51Å | 1.60Å | |
| O22 | C20 | doub | 1.21Å | 1.24Å | |
| C20 | O21 | sing | 1.34Å | 1.26Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| N11 | H111 | sing | 0.97Å | 1.00Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| O21 | H1 | sing | 0.97Å | 0.95Å | |
| N23 | H232 | sing | 1.01Å | 1.00Å | |
| N23 | H231 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C04 | C05 | C06 | 121.4° | 109.8° |
| C05 | C04 | C03 | 125.6° | 111.7° |
| C05 | C04 | H042 | 105.3° | 109.0° |
| C05 | C04 | H041 | 105.3° | 109.0° |
| C04 | C05 | H051 | 106.4° | 109.4° |
| C04 | C05 | H052 | 106.4° | 109.4° |
| C05 | C06 | C07 | 100.2° | 99.5° |
| C06 | C05 | H051 | 106.4° | 109.4° |
| C06 | C05 | H052 | 106.4° | 109.4° |
| C05 | C06 | H062 | 111.7° | 111.5° |
| C05 | C06 | H061 | 111.7° | 111.4° |
| C04 | C03 | C02 | 108.5° | 109.1° |
| C04 | C03 | C10 | 127.7° | 111.7° |
| C04 | C03 | H031 | 105.9° | 109.0° |
| C03 | C04 | H042 | 105.3° | 109.1° |
| C03 | C04 | H041 | 105.3° | 109.0° |
| C06 | C07 | C08 | 116.4° | 122.1° |
| C07 | C06 | H062 | 111.7° | 111.4° |
| C07 | C06 | H061 | 111.7° | 111.4° |
| C06 | C07 | H071 | 121.8° | 119.0° |
| O01 | C02 | C03 | 121.4° | 120.0° |
| O01 | C02 | N11 | 124.3° | 120.0° |
| C03 | C02 | N11 | 114.1° | 120.0° |
| C02 | C03 | C10 | 100.6° | 109.1° |
| C02 | C03 | H031 | 106.6° | 109.0° |
| C02 | N11 | C12 | 128.1° | 120.0° |
| C02 | N11 | H111 | 115.9° | 120.0° |
| C03 | C10 | C09 | 119.6° | 109.9° |
| C10 | C03 | H031 | 106.0° | 109.0° |
| C03 | C10 | H102 | 106.9° | 109.4° |
| C03 | C10 | H101 | 106.9° | 109.4° |
| C07 | C08 | C09 | 116.4° | 122.1° |
| C08 | C07 | H071 | 121.8° | 119.0° |
| C07 | C08 | H081 | 121.8° | 119.0° |
| N11 | C12 | C15 | 116.6° | 120.1° |
| N11 | C12 | C13 | 121.5° | 120.1° |
| C12 | N11 | H111 | 116.0° | 120.0° |
| C15 | C12 | C13 | 118.6° | 119.9° |
| C12 | C15 | C16 | 120.3° | 119.9° |
| C12 | C15 | H151 | 119.8° | 120.0° |
| C12 | C13 | C14 | 120.2° | 120.0° |
| C12 | C13 | H131 | 119.9° | 120.0° |
| C15 | C16 | C17 | 121.4° | 120.1° |
| C16 | C15 | H151 | 119.8° | 120.1° |
| C15 | C16 | H161 | 119.3° | 119.9° |
| C08 | C09 | C10 | 97.7° | 99.4° |
| C09 | C08 | H081 | 121.8° | 118.9° |
| C08 | C09 | H092 | 112.3° | 111.4° |
| C08 | C09 | H091 | 112.3° | 111.4° |
| N23 | C19 | C18 | 112.0° | 109.4° |
| N23 | C19 | C20 | 110.9° | 109.5° |
| N23 | C19 | H191 | 109.0° | 109.5° |
| C19 | N23 | H232 | 109.5° | 111.0° |
| C19 | N23 | H231 | 109.5° | 111.0° |
| C13 | C14 | C17 | 121.4° | 120.1° |
| C14 | C13 | H131 | 119.9° | 120.0° |
| C13 | C14 | H141 | 119.3° | 120.0° |
| C10 | C09 | H092 | 112.4° | 111.5° |
| C10 | C09 | H091 | 112.3° | 111.5° |
| C09 | C10 | H102 | 106.9° | 109.4° |
| C09 | C10 | H101 | 106.9° | 109.4° |
| C16 | C17 | C14 | 118.1° | 120.1° |
| C16 | C17 | C18 | 118.5° | 119.9° |
| C17 | C16 | H161 | 119.3° | 120.0° |
| C14 | C17 | C18 | 123.4° | 119.9° |
| C17 | C14 | H141 | 119.3° | 119.9° |
| C17 | C18 | C19 | 117.0° | 109.5° |
| C17 | C18 | H181 | 107.5° | 109.5° |
| C17 | C18 | H182 | 107.6° | 109.5° |
| C18 | C19 | C20 | 109.4° | 109.4° |
| C19 | C18 | H181 | 107.6° | 109.4° |
| C19 | C18 | H182 | 107.5° | 109.5° |
| C18 | C19 | H191 | 108.0° | 109.5° |
| C19 | C20 | O22 | 118.8° | 120.0° |
| C19 | C20 | O21 | 115.4° | 120.0° |
| C20 | C19 | H191 | 107.3° | 109.5° |
| O22 | C20 | O21 | 125.8° | 120.0° |
| C20 | O21 | H1 | 109.5° | 117.1° |
| H042 | C04 | H041 | 109.5° | 109.0° |
| H051 | C05 | H052 | 109.4° | 109.4° |
| H062 | C06 | H061 | 109.5° | 111.2° |
| H092 | C09 | H091 | 109.5° | 111.1° |
| H102 | C10 | H101 | 109.5° | 109.3° |
| H181 | C18 | H182 | 109.5° | 109.5° |
| H232 | N23 | H231 | 109.5° | 111.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C04 | C05 | C06 | H051 | 121.7° | 120.1° |
| C04 | C05 | C06 | H052 | 121.7° | 120.1° |
| C05 | C04 | C03 | H042 | 122.2° | 120.6° |
| C05 | C04 | C03 | H041 | 122.2° | 120.5° |
| C04 | C05 | C06 | C07 | 23.4° | 53.5° |
| C05 | C04 | C03 | C02 | 154.4° | 111.8° |
| C05 | C04 | C03 | C10 | 85.3° | 127.6° |
| C05 | C04 | C03 | H031 | 40.3° | 7.1° |
| C05 | C04 | H042 | H041 | 112.7° | 118.8° |
| C04 | C05 | H051 | H052 | 114.6° | 119.8° |
| C04 | C05 | C06 | H062 | 95.1° | 64.1° |
| C04 | C05 | C06 | H061 | 141.8° | 171.1° |
| C06 | C05 | C04 | C03 | 40.5° | 90.8° |
| C05 | C06 | C07 | H062 | 118.5° | 117.6° |
| C05 | C06 | C07 | H061 | 118.5° | 117.6° |
| C05 | C06 | C07 | C08 | 86.7° | 90.3° |
| C06 | C05 | C04 | H042 | 162.7° | 29.8° |
| C06 | C05 | C04 | H041 | 81.7° | 148.8° |
| C06 | C05 | H051 | H052 | 114.6° | 119.9° |
| C05 | C06 | H062 | H061 | 124.3° | 125.0° |
| C05 | C06 | C07 | H071 | 93.3° | 89.7° |
| C04 | C03 | C02 | O01 | 25.9° | 2.2° |
| C04 | C03 | C02 | C10 | 136.0° | 122.2° |
| C04 | C03 | C02 | H031 | 113.7° | 118.9° |
| C04 | C03 | C02 | N11 | 149.4° | 177.5° |
| C04 | C03 | C10 | H031 | 125.5° | 120.4° |
| C04 | C03 | C10 | C09 | 64.2° | 90.1° |
| C03 | C04 | H042 | H041 | 112.8° | 118.9° |
| C03 | C04 | C05 | H051 | 162.2° | 149.1° |
| C03 | C04 | C05 | H052 | 81.2° | 29.3° |
| C04 | C03 | C10 | H102 | 174.4° | 149.8° |
| C04 | C03 | C10 | H101 | 57.2° | 30.1° |
| C06 | C07 | C08 | H071 | 180.0° | 180.0° |
| C06 | C07 | C08 | C09 | 174.2° | 145.9° |
| C07 | C06 | C05 | H051 | 145.1° | 173.6° |
| C07 | C06 | C05 | H052 | 98.3° | 66.6° |
| C07 | C06 | H062 | H061 | 124.3° | 124.9° |
| C06 | C07 | C08 | H081 | 5.8° | 34.0° |
| O01 | C02 | C03 | N11 | 175.3° | 179.7° |
| O01 | C02 | C03 | C10 | 110.1° | 120.0° |
| O01 | C02 | N11 | C12 | 16.3° | 4.6° |
| O01 | C02 | C03 | H031 | 139.5° | 121.0° |
| O01 | C02 | N11 | H111 | 163.7° | 175.4° |
| C02 | C03 | C10 | H031 | 110.9° | 119.0° |
| C03 | C02 | N11 | C12 | 168.5° | 175.1° |
| C02 | C03 | C10 | C09 | 172.2° | 149.3° |
| C02 | C03 | C04 | H042 | 32.2° | 127.6° |
| C02 | C03 | C04 | H041 | 83.4° | 8.7° |
| C02 | C03 | C10 | H102 | 50.8° | 29.2° |
| C02 | C03 | C10 | H101 | 66.4° | 90.5° |
| C03 | C02 | N11 | H111 | 11.5° | 4.9° |
| N11 | C02 | C03 | C10 | 74.6° | 60.3° |
| C02 | N11 | C12 | H111 | 180.0° | 180.0° |
| C02 | N11 | C12 | C15 | 160.9° | 144.9° |
| C02 | N11 | C12 | C13 | 39.8° | 35.3° |
| N11 | C02 | C03 | H031 | 35.8° | 58.7° |
| C03 | C10 | C09 | C08 | 36.3° | 53.4° |
| C03 | C10 | C09 | H102 | 121.4° | 120.1° |
| C03 | C10 | C09 | H101 | 121.4° | 120.2° |
| C10 | C03 | C04 | H042 | 152.5° | 7.0° |
| C10 | C03 | C04 | H041 | 36.9° | 112.0° |
| C03 | C10 | C09 | H092 | 154.3° | 171.0° |
| C03 | C10 | C09 | H091 | 81.7° | 64.1° |
| C03 | C10 | H102 | H101 | 115.4° | 119.8° |
| C07 | C08 | C09 | H081 | 180.0° | 179.9° |
| C07 | C08 | C09 | C10 | 89.5° | 91.0° |
| C08 | C07 | C06 | H062 | 31.8° | 27.4° |
| C08 | C07 | C06 | H061 | 154.8° | 152.1° |
| C07 | C08 | C09 | H092 | 152.5° | 151.4° |
| C07 | C08 | C09 | H091 | 28.5° | 26.6° |
| N11 | C12 | C15 | C13 | 159.9° | 179.7° |
| N11 | C12 | C15 | C16 | 161.2° | 180.0° |
| N11 | C12 | C13 | C14 | 160.3° | 180.0° |
| N11 | C12 | C13 | H131 | 19.7° | 0.0° |
| N11 | C12 | C15 | H151 | 18.8° | 0.0° |
| C12 | C15 | C16 | H151 | 180.0° | 180.0° |
| C15 | C12 | C13 | C14 | 1.4° | 0.3° |
| C12 | C15 | C16 | C17 | 0.5° | 0.0° |
| C15 | C12 | N11 | H111 | 19.1° | 35.1° |
| C15 | C12 | C13 | H131 | 178.6° | 179.7° |
| C12 | C15 | C16 | H161 | 179.5° | 180.0° |
| C13 | C12 | C15 | C16 | 1.2° | 0.3° |
| C12 | C13 | C14 | H131 | 180.0° | 180.0° |
| C12 | C13 | C14 | C17 | 0.9° | 0.0° |
| C13 | C12 | N11 | H111 | 140.2° | 144.7° |
| C12 | C13 | C14 | H141 | 179.2° | 180.0° |
| C13 | C12 | C15 | H151 | 178.8° | 179.7° |
| C15 | C16 | C17 | H161 | 180.0° | 180.0° |
| C15 | C16 | C17 | C14 | 0.0° | 0.3° |
| C15 | C16 | C17 | C18 | 179.8° | 180.0° |
| C08 | C09 | C10 | H092 | 118.0° | 117.6° |
| C08 | C09 | C10 | H091 | 118.0° | 117.6° |
| C09 | C08 | C07 | H071 | 5.8° | 34.1° |
| C08 | C09 | H092 | H091 | 125.5° | 124.9° |
| C08 | C09 | C10 | H102 | 157.7° | 173.5° |
| C08 | C09 | C10 | H101 | 85.2° | 66.7° |
| N23 | C19 | C18 | C17 | 73.3° | 65.0° |
| N23 | C19 | C18 | C20 | 123.4° | 120.0° |
| N23 | C19 | C18 | H191 | 120.1° | 120.0° |
| N23 | C19 | C20 | H191 | 119.0° | 120.1° |
| N23 | C19 | C20 | O22 | 11.6° | 19.9° |
| N23 | C19 | C20 | O21 | 169.0° | 160.0° |
| N23 | C19 | C18 | H181 | 165.6° | 175.0° |
| N23 | C19 | C18 | H182 | 47.8° | 55.0° |
| C19 | N23 | H232 | H231 | 120.0° | 124.0° |
| C13 | C14 | C17 | C16 | 0.1° | 0.3° |
| C13 | C14 | C17 | H141 | 180.0° | 180.0° |
| C13 | C14 | C17 | C18 | 180.0° | 180.0° |
| C09 | C10 | C03 | H031 | 61.3° | 30.3° |
| C10 | C09 | C08 | H081 | 90.5° | 88.9° |
| C10 | C09 | H092 | H091 | 125.5° | 125.0° |
| C09 | C10 | H102 | H101 | 115.4° | 119.8° |
| C16 | C17 | C14 | C18 | 179.8° | 179.7° |
| C16 | C17 | C18 | C19 | 139.5° | 89.7° |
| C16 | C17 | C14 | H141 | 179.9° | 179.7° |
| C17 | C16 | C15 | H151 | 179.5° | 180.0° |
| C16 | C17 | C18 | H181 | 99.5° | 30.2° |
| C16 | C17 | C18 | H182 | 18.4° | 150.3° |
| C14 | C17 | C18 | C19 | 40.4° | 90.0° |
| C17 | C14 | C13 | H131 | 179.2° | 180.0° |
| C14 | C17 | C16 | H161 | 179.9° | 179.7° |
| C14 | C17 | C18 | H181 | 80.7° | 150.0° |
| C14 | C17 | C18 | H182 | 161.5° | 30.0° |
| C17 | C18 | C19 | H181 | 121.1° | 120.0° |
| C17 | C18 | C19 | H182 | 121.1° | 120.0° |
| C17 | C18 | C19 | C20 | 163.3° | 175.0° |
| C18 | C17 | C14 | H141 | 0.1° | 0.0° |
| C18 | C17 | C16 | H161 | 0.2° | 0.0° |
| C17 | C18 | H181 | H182 | 116.6° | 120.0° |
| C17 | C18 | C19 | H191 | 46.8° | 55.0° |
| C18 | C19 | C20 | H191 | 116.9° | 120.0° |
| C18 | C19 | C20 | O22 | 135.6° | 100.0° |
| C18 | C19 | C20 | O21 | 45.0° | 80.0° |
| C19 | C18 | H181 | H182 | 116.6° | 120.0° |
| C18 | C19 | N23 | H232 | 180.0° | 60.0° |
| C18 | C19 | N23 | H231 | 60.0° | 64.0° |
| C19 | C20 | O22 | O21 | 179.3° | 179.9° |
| C20 | C19 | C18 | H181 | 42.2° | 55.0° |
| C20 | C19 | C18 | H182 | 75.6° | 65.0° |
| C19 | C20 | O21 | H1 | 179.4° | 180.0° |
| C20 | C19 | N23 | H232 | 57.4° | 60.0° |
| C20 | C19 | N23 | H231 | 62.6° | 176.0° |
| O22 | C20 | C19 | H191 | 107.4° | 140.0° |
| O22 | C20 | O21 | H1 | 0.0° | 0.1° |
| O21 | C20 | C19 | H191 | 72.0° | 39.9° |
| H031 | C03 | C04 | H042 | 81.9° | 113.5° |
| H031 | C03 | C04 | H041 | 162.4° | 127.6° |
| H031 | C03 | C10 | H102 | 60.1° | 89.8° |
| H031 | C03 | C10 | H101 | 177.2° | 150.5° |
| H042 | C04 | C05 | H051 | 75.7° | 90.3° |
| H042 | C04 | C05 | H052 | 41.0° | 150.0° |
| H041 | C04 | C05 | H051 | 40.0° | 28.6° |
| H041 | C04 | C05 | H052 | 156.6° | 91.1° |
| H051 | C05 | C06 | H062 | 26.6° | 56.0° |
| H051 | C05 | C06 | H061 | 96.5° | 68.8° |
| H052 | C05 | C06 | H062 | 143.2° | 175.8° |
| H052 | C05 | C06 | H061 | 20.2° | 51.0° |
| H062 | C06 | C07 | H071 | 148.2° | 152.6° |
| H061 | C06 | C07 | H071 | 25.2° | 27.9° |
| H071 | C07 | C08 | H081 | 174.2° | 146.0° |
| H081 | C08 | C09 | H092 | 27.5° | 28.7° |
| H081 | C08 | C09 | H091 | 151.5° | 153.5° |
| H092 | C09 | C10 | H102 | 84.2° | 68.9° |
| H092 | C09 | C10 | H101 | 32.9° | 50.9° |
| H091 | C09 | C10 | H102 | 39.7° | 56.0° |
| H091 | C09 | C10 | H101 | 156.8° | 175.7° |
| H131 | C13 | C14 | H141 | 0.8° | 0.0° |
| H151 | C15 | C16 | H161 | 0.5° | 0.0° |
| H181 | C18 | C19 | H191 | 74.3° | 65.0° |
| H182 | C18 | C19 | H191 | 167.9° | 175.0° |
| H191 | C19 | N23 | H232 | 60.5° | 180.0° |
| H191 | C19 | N23 | H231 | 179.5° | 56.0° |
