A1IM0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N02 | O01 | sing | 1.42Å | 1.38Å | |
| C03 | N02 | sing | 1.35Å | 1.42Å | |
| C06 | C05 | sing | 1.53Å | 1.54Å | |
| C07 | C06 | sing | 1.53Å | 1.52Å | |
| C08 | C06 | sing | 1.53Å | 1.53Å | |
| C05 | C04 | sing | 1.53Å | 1.53Å | |
| C09 | C04 | sing | 1.51Å | 1.50Å | |
| C11 | N10 | sing | 1.47Å | 1.53Å | |
| C12 | C11 | sing | 1.51Å | 1.23Å | |
| C15 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | N13 | sing | 1.40Å | 1.45Å | |
| C20 | N13 | sing | 1.47Å | 1.53Å | |
| C21 | C20 | sing | 1.54Å | 1.25Å | |
| N13 | C12 | sing | 1.34Å | 1.58Å | |
| O22 | C12 | doub | 1.21Å | 1.18Å | |
| N10 | C09 | sing | 1.35Å | 1.41Å | |
| O23 | C09 | doub | 1.21Å | 1.18Å | |
| C04 | C03 | sing | 1.51Å | 1.51Å | |
| O24 | C03 | doub | 1.21Å | 1.20Å | |
| C11 | C21 | sing | 1.55Å | 1.68Å | |
| C14 | C19 | sing | 1.39Å | 1.38Å | Aromatic |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| 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 | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C07 | H073 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H083 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| N02 | H021 | sing | 0.97Å | 1.00Å | |
| N10 | H101 | sing | 0.97Å | 1.00Å | |
| O01 | H011 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | N02 | C03 | 118.4° | 120.0° |
| O01 | N02 | H021 | 120.8° | 120.0° |
| N02 | O01 | H011 | 109.5° | 114.0° |
| N02 | C03 | C04 | 114.1° | 120.0° |
| N02 | C03 | O24 | 119.5° | 120.0° |
| C03 | N02 | H021 | 120.8° | 120.0° |
| C05 | C06 | C07 | 111.7° | 109.5° |
| C05 | C06 | C08 | 111.6° | 109.5° |
| C06 | C05 | C04 | 113.5° | 109.5° |
| C06 | C05 | H051 | 108.4° | 109.5° |
| C06 | C05 | H052 | 108.5° | 109.5° |
| C05 | C06 | H061 | 107.5° | 109.5° |
| C07 | C06 | C08 | 110.4° | 109.4° |
| C07 | C06 | H061 | 107.8° | 109.5° |
| C06 | C07 | H073 | 109.5° | 109.5° |
| C06 | C07 | H071 | 109.5° | 109.5° |
| C06 | C07 | H072 | 109.4° | 109.5° |
| C08 | C06 | H061 | 107.6° | 109.5° |
| C06 | C08 | H081 | 109.5° | 109.4° |
| C06 | C08 | H083 | 109.5° | 109.5° |
| C06 | C08 | H082 | 109.5° | 109.5° |
| C05 | C04 | C09 | 108.6° | 109.5° |
| C05 | C04 | C03 | 108.7° | 109.4° |
| C05 | C04 | H041 | 109.6° | 109.5° |
| C04 | C05 | H051 | 108.4° | 109.4° |
| C04 | C05 | H052 | 108.4° | 109.5° |
| C04 | C09 | N10 | 114.5° | 120.0° |
| C04 | C09 | O23 | 121.3° | 120.0° |
| C09 | C04 | C03 | 110.2° | 109.5° |
| C09 | C04 | H041 | 109.9° | 109.5° |
| N10 | C11 | C12 | 108.5° | 110.5° |
| C11 | N10 | C09 | 122.0° | 120.0° |
| N10 | C11 | C21 | 105.1° | 110.5° |
| N10 | C11 | H111 | 109.8° | 110.4° |
| C11 | N10 | H101 | 119.0° | 120.0° |
| C11 | C12 | N13 | 106.7° | 110.1° |
| C11 | C12 | O22 | 127.0° | 125.0° |
| C12 | C11 | C21 | 109.9° | 104.2° |
| C12 | C11 | H111 | 115.1° | 110.6° |
| C14 | C15 | C16 | 119.6° | 119.9° |
| C15 | C14 | N13 | 119.4° | 120.1° |
| C15 | C14 | C19 | 120.4° | 119.9° |
| C14 | C15 | H151 | 120.2° | 120.0° |
| C15 | C16 | C17 | 119.9° | 120.0° |
| C16 | C15 | H151 | 120.2° | 120.1° |
| C15 | C16 | H161 | 120.1° | 120.0° |
| C16 | C17 | C18 | 119.6° | 120.2° |
| C16 | C17 | H171 | 120.2° | 119.9° |
| C17 | C16 | H161 | 120.0° | 120.0° |
| C17 | C18 | C19 | 120.8° | 120.1° |
| C18 | C17 | H171 | 120.2° | 120.0° |
| C17 | C18 | H181 | 119.6° | 120.0° |
| C18 | C19 | C14 | 119.6° | 119.9° |
| C19 | C18 | H181 | 119.6° | 120.0° |
| C18 | C19 | H191 | 120.2° | 120.0° |
| C14 | N13 | C20 | 122.8° | 124.3° |
| C14 | N13 | C12 | 131.1° | 124.4° |
| N13 | C14 | C19 | 120.0° | 120.0° |
| N13 | C20 | C21 | 108.3° | 105.5° |
| C20 | N13 | C12 | 106.1° | 111.3° |
| N13 | C20 | H202 | 109.7° | 110.2° |
| N13 | C20 | H201 | 109.7° | 110.3° |
| C20 | C21 | C11 | 107.9° | 101.8° |
| C21 | C20 | H202 | 109.8° | 110.2° |
| C21 | C20 | H201 | 109.8° | 110.3° |
| C20 | C21 | H211 | 109.9° | 111.0° |
| C20 | C21 | H212 | 109.9° | 111.0° |
| N13 | C12 | O22 | 126.3° | 124.9° |
| N10 | C09 | O23 | 124.2° | 120.0° |
| C09 | N10 | H101 | 119.0° | 120.0° |
| C04 | C03 | O24 | 126.4° | 120.1° |
| C03 | C04 | H041 | 109.8° | 109.5° |
| C11 | C21 | H211 | 109.9° | 111.0° |
| C11 | C21 | H212 | 109.9° | 111.0° |
| C21 | C11 | H111 | 108.0° | 110.5° |
| C14 | C19 | H191 | 120.2° | 120.1° |
| H202 | C20 | H201 | 109.5° | 110.2° |
| H211 | C21 | H212 | 109.5° | 110.8° |
| H051 | C05 | H052 | 109.5° | 109.5° |
| H073 | C07 | H071 | 109.5° | 109.5° |
| H073 | C07 | H072 | 109.4° | 109.5° |
| H071 | C07 | H072 | 109.5° | 109.5° |
| H081 | C08 | H083 | 109.5° | 109.5° |
| H081 | C08 | H082 | 109.5° | 109.4° |
| H083 | C08 | H082 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | N02 | C03 | H021 | 180.0° | 179.9° |
| O01 | N02 | C03 | C04 | 175.8° | 175.0° |
| O01 | N02 | C03 | O24 | 4.3° | 5.0° |
| N02 | C03 | C04 | C05 | 93.5° | 144.9° |
| N02 | C03 | C04 | C09 | 147.6° | 95.1° |
| N02 | C03 | C04 | O24 | 179.9° | 180.0° |
| N02 | C03 | C04 | H041 | 26.4° | 25.0° |
| C03 | N02 | O01 | H011 | 2.0° | 180.0° |
| C05 | C06 | C07 | C08 | 124.9° | 120.0° |
| C05 | C06 | C07 | H061 | 117.9° | 120.0° |
| C05 | C06 | C08 | H061 | 117.7° | 120.0° |
| C06 | C05 | C04 | H051 | 120.6° | 120.0° |
| C06 | C05 | C04 | H052 | 120.6° | 120.0° |
| C06 | C05 | C04 | C09 | 55.4° | 174.4° |
| C06 | C05 | C04 | C03 | 175.2° | 65.5° |
| C06 | C05 | C04 | H041 | 64.7° | 54.4° |
| C06 | C05 | H051 | H052 | 118.2° | 120.0° |
| C05 | C06 | C07 | H073 | 180.0° | 60.0° |
| C05 | C06 | C07 | H071 | 60.0° | 180.0° |
| C05 | C06 | C07 | H072 | 60.0° | 60.0° |
| C05 | C06 | C08 | H081 | 180.0° | 64.9° |
| C05 | C06 | C08 | H083 | 60.0° | 175.0° |
| C05 | C06 | C08 | H082 | 60.0° | 55.0° |
| C07 | C06 | C08 | H061 | 117.3° | 120.0° |
| C07 | C06 | C05 | C04 | 57.7° | 65.8° |
| C07 | C06 | C05 | H051 | 62.9° | 54.1° |
| C07 | C06 | C05 | H052 | 178.3° | 174.1° |
| C06 | C07 | H073 | H071 | 120.0° | 120.0° |
| C06 | C07 | H073 | H072 | 120.0° | 120.0° |
| C06 | C07 | H071 | H072 | 120.0° | 120.0° |
| C07 | C06 | C08 | H081 | 55.1° | 175.1° |
| C07 | C06 | C08 | H083 | 175.1° | 55.0° |
| C07 | C06 | C08 | H082 | 65.0° | 65.0° |
| C08 | C06 | C05 | C04 | 178.1° | 174.2° |
| C08 | C06 | C05 | H051 | 61.3° | 65.9° |
| C08 | C06 | C05 | H052 | 57.5° | 54.2° |
| C08 | C06 | C07 | H073 | 55.2° | 60.0° |
| C08 | C06 | C07 | H071 | 64.9° | 60.0° |
| C08 | C06 | C07 | H072 | 175.1° | 180.0° |
| C06 | C08 | H081 | H083 | 120.0° | 120.1° |
| C06 | C08 | H081 | H082 | 120.0° | 120.0° |
| C06 | C08 | H083 | H082 | 120.0° | 120.0° |
| C05 | C04 | C09 | C03 | 118.9° | 120.0° |
| C05 | C04 | C09 | H041 | 119.9° | 120.0° |
| C05 | C04 | C09 | N10 | 126.1° | 174.1° |
| C05 | C04 | C09 | O23 | 53.1° | 5.9° |
| C05 | C04 | C03 | H041 | 119.9° | 120.0° |
| C05 | C04 | C03 | O24 | 86.6° | 35.1° |
| C04 | C05 | H051 | H052 | 118.1° | 120.0° |
| C04 | C05 | C06 | H061 | 60.3° | 54.2° |
| C04 | C09 | N10 | C11 | 179.7° | 175.0° |
| C04 | C09 | N10 | O23 | 179.2° | 179.9° |
| C09 | C04 | C03 | H041 | 121.3° | 120.0° |
| C09 | C04 | C03 | O24 | 32.2° | 84.9° |
| C09 | C04 | C05 | H051 | 176.0° | 54.5° |
| C09 | C04 | C05 | H052 | 65.2° | 65.5° |
| C04 | C09 | N10 | H101 | 0.3° | 4.9° |
| N10 | C11 | C12 | C21 | 114.4° | 118.7° |
| N10 | C11 | C12 | H111 | 123.4° | 122.5° |
| N10 | C11 | C21 | C20 | 127.5° | 143.5° |
| N10 | C11 | C12 | N13 | 119.9° | 135.0° |
| N10 | C11 | C12 | O22 | 60.9° | 45.1° |
| C11 | N10 | C09 | H101 | 180.0° | 179.9° |
| C11 | N10 | C09 | O23 | 0.5° | 5.1° |
| N10 | C11 | C21 | H111 | 117.2° | 122.5° |
| N10 | C11 | C21 | H211 | 112.8° | 98.4° |
| N10 | C11 | C21 | H212 | 7.7° | 25.3° |
| C11 | C12 | N13 | C14 | 179.8° | 179.6° |
| C11 | C12 | N13 | C20 | 0.0° | 0.4° |
| C12 | C11 | C21 | C20 | 10.9° | 24.8° |
| C11 | C12 | N13 | O22 | 179.3° | 179.9° |
| C12 | C11 | N10 | C09 | 129.7° | 90.2° |
| C12 | C11 | C21 | H111 | 126.3° | 118.8° |
| C12 | C11 | C21 | H211 | 130.7° | 142.9° |
| C12 | C11 | C21 | H212 | 108.8° | 93.4° |
| C12 | C11 | N10 | H101 | 50.3° | 89.8° |
| C14 | C15 | C16 | H151 | 180.0° | 179.7° |
| C14 | C15 | C16 | C17 | 1.6° | 0.0° |
| C15 | C14 | C19 | C18 | 1.4° | 0.0° |
| C15 | C14 | N13 | C19 | 176.4° | 180.0° |
| C15 | C14 | N13 | C20 | 56.0° | 6.0° |
| C15 | C14 | N13 | C12 | 124.3° | 174.0° |
| C14 | C15 | C16 | H161 | 178.3° | 180.0° |
| C15 | C14 | C19 | H191 | 178.6° | 180.0° |
| C15 | C16 | C17 | H161 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 1.1° | 0.6° |
| C16 | C15 | C14 | N13 | 178.2° | 179.7° |
| C16 | C15 | C14 | C19 | 1.8° | 0.3° |
| C15 | C16 | C17 | H171 | 178.9° | 180.0° |
| C16 | C17 | C18 | H171 | 180.0° | 179.4° |
| C16 | C17 | C18 | C19 | 0.7° | 0.9° |
| C17 | C16 | C15 | H151 | 178.4° | 179.7° |
| C16 | C17 | C18 | H181 | 179.3° | 180.0° |
| C17 | C18 | C19 | H181 | 180.0° | 179.2° |
| C17 | C18 | C19 | C14 | 0.8° | 0.6° |
| C18 | C17 | C16 | H161 | 178.9° | 179.5° |
| C17 | C18 | C19 | H191 | 179.2° | 179.5° |
| C18 | C19 | C14 | N13 | 177.7° | 180.0° |
| C18 | C19 | C14 | H191 | 180.0° | 180.0° |
| C19 | C18 | C17 | H171 | 179.4° | 179.7° |
| C14 | N13 | C20 | C12 | 179.8° | 180.0° |
| C14 | N13 | C20 | C21 | 172.4° | 163.0° |
| C14 | N13 | C12 | O22 | 1.0° | 0.5° |
| N13 | C14 | C15 | H151 | 1.8° | 0.0° |
| C14 | N13 | C20 | H202 | 67.7° | 44.0° |
| C14 | N13 | C20 | H201 | 52.6° | 77.9° |
| N13 | C14 | C19 | H191 | 2.3° | 0.0° |
| N13 | C20 | C21 | H202 | 119.8° | 119.0° |
| N13 | C20 | C21 | H201 | 119.8° | 119.1° |
| C20 | N13 | C12 | O22 | 179.3° | 179.5° |
| N13 | C20 | C21 | C11 | 10.1° | 25.4° |
| C20 | N13 | C14 | C19 | 120.4° | 174.0° |
| N13 | C20 | H202 | H201 | 120.5° | 122.0° |
| N13 | C20 | C21 | H211 | 129.8° | 143.6° |
| N13 | C20 | C21 | H212 | 109.7° | 92.7° |
| C21 | C20 | N13 | C12 | 7.3° | 17.0° |
| C20 | C21 | C11 | H211 | 119.8° | 118.2° |
| C20 | C21 | C11 | H212 | 119.8° | 118.1° |
| C21 | C20 | H202 | H201 | 120.6° | 122.0° |
| C20 | C21 | H211 | H212 | 120.7° | 123.8° |
| C20 | C21 | C11 | H111 | 115.4° | 94.0° |
| N13 | C12 | C11 | C21 | 5.5° | 16.3° |
| C12 | N13 | C14 | C19 | 59.3° | 6.0° |
| C12 | N13 | C20 | H202 | 112.5° | 136.0° |
| C12 | N13 | C20 | H201 | 127.1° | 102.1° |
| N13 | C12 | C11 | H111 | 116.7° | 102.5° |
| O22 | C12 | C11 | C21 | 175.2° | 163.8° |
| O22 | C12 | C11 | H111 | 62.6° | 77.4° |
| N10 | C09 | C04 | C03 | 115.0° | 65.9° |
| C09 | N10 | C11 | C21 | 112.8° | 155.0° |
| N10 | C09 | C04 | H041 | 6.2° | 54.2° |
| C09 | N10 | C11 | H111 | 3.1° | 32.5° |
| O23 | C09 | C04 | C03 | 65.8° | 114.1° |
| O23 | C09 | C04 | H041 | 173.0° | 125.9° |
| O23 | C09 | N10 | H101 | 179.5° | 175.0° |
| C03 | C04 | C05 | H051 | 64.2° | 174.5° |
| C03 | C04 | C05 | H052 | 54.6° | 54.5° |
| C04 | C03 | N02 | H021 | 4.2° | 5.0° |
| O24 | C03 | C04 | H041 | 153.5° | 155.1° |
| O24 | C03 | N02 | H021 | 175.7° | 174.9° |
| C11 | C21 | C20 | H202 | 109.8° | 144.4° |
| C11 | C21 | C20 | H201 | 129.8° | 93.7° |
| C11 | C21 | H211 | H212 | 120.7° | 123.8° |
| C21 | C11 | N10 | H101 | 67.2° | 25.1° |
| C19 | C14 | C15 | H151 | 178.2° | 180.0° |
| C14 | C19 | C18 | H181 | 179.2° | 179.7° |
| H151 | C15 | C16 | H161 | 1.7° | 0.3° |
| H171 | C17 | C16 | H161 | 1.1° | 0.0° |
| H171 | C17 | C18 | H181 | 0.7° | 0.6° |
| H202 | C20 | C21 | H211 | 10.0° | 97.4° |
| H202 | C20 | C21 | H212 | 130.5° | 26.2° |
| H201 | C20 | C21 | H211 | 110.4° | 24.5° |
| H201 | C20 | C21 | H212 | 10.1° | 148.2° |
| H211 | C21 | C11 | H111 | 4.4° | 24.1° |
| H212 | C21 | C11 | H111 | 124.9° | 147.8° |
| H041 | C04 | C05 | H051 | 55.9° | 65.5° |
| H041 | C04 | C05 | H052 | 174.7° | 174.5° |
| H051 | C05 | C06 | H061 | 179.1° | 174.1° |
| H052 | C05 | C06 | H061 | 60.3° | 65.8° |
| H061 | C06 | C07 | H073 | 62.1° | 180.0° |
| H061 | C06 | C07 | H071 | 177.9° | 60.0° |
| H061 | C06 | C07 | H072 | 57.9° | 60.0° |
| H061 | C06 | C08 | H081 | 62.3° | 55.1° |
| H061 | C06 | C08 | H083 | 57.7° | 64.9° |
| H061 | C06 | C08 | H082 | 177.7° | 175.0° |
| H073 | C07 | H071 | H072 | 120.0° | 120.0° |
| H081 | C08 | H083 | H082 | 120.0° | 119.9° |
| H111 | C11 | N10 | H101 | 176.9° | 147.6° |
| H181 | C18 | C19 | H191 | 0.8° | 0.3° |
| H021 | N02 | O01 | H011 | 178.0° | 0.1° |
