1LC
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C21 | N20 | doub | 1.32Å | 1.34Å | Aromatic |
C21 | C22 | sing | 1.39Å | 1.40Å | Aromatic |
N20 | C19 | sing | 1.33Å | 1.37Å | Aromatic |
C22 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
C19 | N18 | sing | 1.38Å | 1.39Å | Aromatic |
C19 | C24 | doub | 1.40Å | 1.37Å | Aromatic |
C23 | C24 | sing | 1.39Å | 1.43Å | Aromatic |
N18 | C17 | sing | 1.35Å | 1.34Å | Aromatic |
C24 | C16 | sing | 1.47Å | 1.42Å | Aromatic |
C17 | C16 | doub | 1.37Å | 1.39Å | Aromatic |
C16 | C02 | sing | 1.47Å | 1.49Å | |
N11 | C10 | sing | 1.35Å | 1.43Å | |
C02 | O01 | doub | 1.22Å | 1.22Å | |
C02 | C03 | sing | 1.48Å | 1.50Å | |
C04 | C03 | doub | 1.40Å | 1.39Å | Aromatic |
C04 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
C03 | C15 | sing | 1.40Å | 1.39Å | Aromatic |
C10 | O12 | doub | 1.21Å | 1.22Å | |
C10 | C07 | sing | 1.51Å | 1.49Å | |
C06 | C05 | sing | 1.51Å | 1.49Å | |
C06 | C07 | sing | 1.53Å | 1.49Å | |
C05 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
C07 | C08 | sing | 1.47Å | 1.49Å | |
C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
C08 | N09 | trip | 1.14Å | 1.14Å | |
C04 | H041 | sing | 1.08Å | 1.08Å | |
C06 | H062 | sing | 1.09Å | 1.10Å | |
C06 | H061 | sing | 1.09Å | 1.10Å | |
C07 | H071 | sing | 1.09Å | 1.10Å | |
N11 | H112 | sing | 0.97Å | 1.00Å | |
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 | |
C17 | H171 | sing | 1.08Å | 1.08Å | |
N18 | H181 | sing | 0.97Å | 1.00Å | |
C21 | H211 | sing | 1.08Å | 1.08Å | |
C22 | H1 | sing | 1.08Å | 1.08Å | |
C23 | H231 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N20 | C21 | C22 | 121.5° | 121.5° |
C21 | N20 | C19 | 120.7° | 121.7° |
N20 | C21 | H211 | 119.3° | 119.3° |
C21 | C22 | C23 | 118.9° | 119.3° |
C22 | C21 | H211 | 119.2° | 119.2° |
C21 | C22 | H1 | 120.6° | 120.3° |
N20 | C19 | N18 | 130.8° | 132.9° |
N20 | C19 | C24 | 121.0° | 119.7° |
C22 | C23 | C24 | 118.7° | 118.0° |
C23 | C22 | H1 | 120.5° | 120.3° |
C22 | C23 | H231 | 120.7° | 121.0° |
N18 | C19 | C24 | 108.2° | 107.4° |
C19 | N18 | C17 | 109.8° | 110.5° |
C19 | N18 | H181 | 125.1° | 124.7° |
C19 | C24 | C23 | 119.3° | 119.7° |
C19 | C24 | C16 | 106.5° | 106.0° |
C23 | C24 | C16 | 134.2° | 134.3° |
C24 | C23 | H231 | 120.6° | 121.0° |
N18 | C17 | C16 | 107.8° | 109.8° |
N18 | C17 | H171 | 126.1° | 125.1° |
C17 | N18 | H181 | 125.1° | 124.8° |
C24 | C16 | C17 | 107.7° | 106.3° |
C24 | C16 | C02 | 125.9° | 126.8° |
C17 | C16 | C02 | 126.4° | 126.9° |
C16 | C17 | H171 | 126.1° | 125.1° |
C16 | C02 | O01 | 118.9° | 120.0° |
C16 | C02 | C03 | 122.0° | 120.0° |
N11 | C10 | O12 | 119.9° | 120.0° |
N11 | C10 | C07 | 120.1° | 120.0° |
C10 | N11 | H112 | 120.0° | 120.0° |
C10 | N11 | H111 | 120.0° | 120.0° |
O01 | C02 | C03 | 119.1° | 120.0° |
C02 | C03 | C04 | 121.4° | 120.1° |
C02 | C03 | C15 | 118.8° | 120.2° |
C03 | C04 | C05 | 119.8° | 119.8° |
C04 | C03 | C15 | 119.8° | 119.7° |
C03 | C04 | H041 | 120.1° | 120.1° |
C04 | C05 | C06 | 120.8° | 119.9° |
C04 | C05 | C13 | 120.1° | 120.1° |
C05 | C04 | H041 | 120.1° | 120.1° |
C03 | C15 | C14 | 120.3° | 119.8° |
C03 | C15 | H151 | 119.8° | 120.1° |
O12 | C10 | C07 | 120.0° | 120.0° |
C10 | C07 | C06 | 110.9° | 109.4° |
C10 | C07 | C08 | 108.8° | 109.5° |
C10 | C07 | H071 | 109.4° | 109.4° |
C05 | C06 | C07 | 118.2° | 109.4° |
C06 | C05 | C13 | 119.1° | 119.9° |
C05 | C06 | H062 | 107.3° | 109.5° |
C05 | C06 | H061 | 107.2° | 109.4° |
C06 | C07 | C08 | 108.8° | 109.5° |
C07 | C06 | H062 | 107.2° | 109.5° |
C07 | C06 | H061 | 107.3° | 109.5° |
C06 | C07 | H071 | 109.4° | 109.4° |
C05 | C13 | C14 | 120.1° | 120.3° |
C05 | C13 | H131 | 120.0° | 119.8° |
C07 | C08 | N09 | 179.6° | 180.0° |
C08 | C07 | H071 | 109.5° | 109.5° |
C15 | C14 | C13 | 119.8° | 120.2° |
C15 | C14 | H141 | 120.1° | 119.9° |
C14 | C15 | H151 | 119.8° | 120.1° |
C14 | C13 | H131 | 119.9° | 119.9° |
C13 | C14 | H141 | 120.1° | 119.9° |
H062 | C06 | H061 | 109.5° | 109.5° |
H112 | N11 | H111 | 120.0° | 120.1° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N20 | C21 | C22 | H211 | 180.0° | 179.9° |
N20 | C21 | C22 | C23 | 0.1° | 0.0° |
C21 | N20 | C19 | N18 | 180.0° | 180.0° |
C21 | N20 | C19 | C24 | 0.0° | 0.3° |
N20 | C21 | C22 | H1 | 179.9° | 179.9° |
C22 | C21 | N20 | C19 | 0.0° | 0.0° |
C21 | C22 | C23 | H1 | 180.0° | 179.9° |
C21 | C22 | C23 | C24 | 0.1° | 0.3° |
C21 | C22 | C23 | H231 | 179.9° | 180.0° |
N20 | C19 | N18 | C24 | 180.0° | 179.7° |
N20 | C19 | C24 | C23 | 0.0° | 0.6° |
N20 | C19 | N18 | C17 | 179.9° | 180.0° |
N20 | C19 | C24 | C16 | 179.9° | 179.8° |
N20 | C19 | N18 | H181 | 0.1° | 0.0° |
C19 | N20 | C21 | H211 | 180.0° | 180.0° |
C22 | C23 | C24 | C19 | 0.1° | 0.6° |
C22 | C23 | C24 | H231 | 180.0° | 179.7° |
C22 | C23 | C24 | C16 | 179.7° | 179.6° |
C23 | C22 | C21 | H211 | 179.9° | 180.0° |
N18 | C19 | C24 | C23 | 180.0° | 179.7° |
C19 | N18 | C17 | H181 | 180.0° | 180.0° |
N18 | C19 | C24 | C16 | 0.2° | 0.4° |
C19 | N18 | C17 | C16 | 0.3° | 0.0° |
C19 | N18 | C17 | H171 | 179.7° | 179.9° |
C19 | C24 | C23 | C16 | 179.8° | 179.0° |
C24 | C19 | N18 | C17 | 0.1° | 0.3° |
C19 | C24 | C16 | C17 | 0.3° | 0.4° |
C19 | C24 | C16 | C02 | 179.5° | 179.9° |
C24 | C19 | N18 | H181 | 179.9° | 179.8° |
C19 | C24 | C23 | H231 | 179.9° | 179.7° |
C23 | C24 | C16 | C17 | 179.8° | 179.5° |
C23 | C24 | C16 | C02 | 0.6° | 0.8° |
C24 | C23 | C22 | H1 | 179.9° | 179.8° |
N18 | C17 | C16 | C24 | 0.4° | 0.3° |
N18 | C17 | C16 | H171 | 180.0° | 179.9° |
N18 | C17 | C16 | C02 | 179.6° | 179.9° |
C24 | C16 | C17 | C02 | 179.2° | 179.7° |
C24 | C16 | C02 | O01 | 52.3° | 5.8° |
C24 | C16 | C02 | C03 | 128.3° | 174.5° |
C24 | C16 | C17 | H171 | 179.6° | 179.8° |
C16 | C24 | C23 | H231 | 0.3° | 0.7° |
C17 | C16 | C02 | O01 | 126.7° | 173.8° |
C17 | C16 | C02 | C03 | 52.7° | 5.9° |
C16 | C17 | N18 | H181 | 179.7° | 180.0° |
C16 | C02 | O01 | C03 | 179.5° | 179.7° |
C16 | C02 | C03 | C04 | 6.9° | 150.3° |
C16 | C02 | C03 | C15 | 173.7° | 29.4° |
C02 | C16 | C17 | H171 | 0.4° | 0.1° |
N11 | C10 | O12 | C07 | 179.7° | 180.0° |
N11 | C10 | C07 | C06 | 86.3° | 179.9° |
N11 | C10 | C07 | C08 | 154.1° | 60.0° |
N11 | C10 | C07 | H071 | 34.5° | 60.0° |
C10 | N11 | H112 | H111 | 180.0° | 179.8° |
O01 | C02 | C03 | C04 | 172.6° | 29.4° |
O01 | C02 | C03 | C15 | 6.9° | 150.9° |
C02 | C03 | C04 | C15 | 179.5° | 179.7° |
C02 | C03 | C04 | C05 | 179.8° | 180.0° |
C02 | C03 | C15 | C14 | 179.7° | 179.7° |
C02 | C03 | C04 | H041 | 0.1° | 0.0° |
C02 | C03 | C15 | H151 | 0.3° | 0.0° |
C03 | C04 | C05 | H041 | 180.0° | 180.0° |
C03 | C04 | C05 | C06 | 179.7° | 180.0° |
C03 | C04 | C05 | C13 | 0.1° | 0.0° |
C04 | C03 | C15 | C14 | 0.3° | 0.6° |
C04 | C03 | C15 | H151 | 179.8° | 179.7° |
C05 | C04 | C03 | C15 | 0.4° | 0.3° |
C04 | C05 | C06 | C13 | 179.8° | 180.0° |
C04 | C05 | C06 | C07 | 73.9° | 90.0° |
C04 | C05 | C13 | C14 | 0.2° | 0.1° |
C04 | C05 | C06 | H062 | 164.8° | 149.9° |
C04 | C05 | C06 | H061 | 47.3° | 30.0° |
C04 | C05 | C13 | H131 | 179.8° | 180.0° |
C03 | C15 | C14 | H151 | 180.0° | 179.7° |
C03 | C15 | C14 | C13 | 0.1° | 0.6° |
C15 | C03 | C04 | H041 | 179.6° | 179.7° |
C03 | C15 | C14 | H141 | 179.9° | 179.7° |
O12 | C10 | C07 | C06 | 94.0° | 0.0° |
O12 | C10 | C07 | C08 | 25.6° | 120.0° |
O12 | C10 | C07 | H071 | 145.2° | 120.0° |
O12 | C10 | N11 | H112 | 0.0° | 0.1° |
O12 | C10 | N11 | H111 | 180.0° | 180.0° |
C10 | C07 | C06 | C05 | 49.4° | 175.0° |
C10 | C07 | C06 | C08 | 119.6° | 120.0° |
C10 | C07 | C06 | H071 | 120.8° | 119.9° |
C10 | C07 | C08 | H071 | 119.6° | 120.0° |
C10 | C07 | C08 | N09 | 135.1° | 135.0° |
C10 | C07 | C06 | H062 | 170.7° | 54.9° |
C10 | C07 | C06 | H061 | 71.8° | 65.1° |
C07 | C10 | N11 | H112 | 179.6° | 179.9° |
C07 | C10 | N11 | H111 | 0.3° | 0.1° |
C05 | C06 | C07 | H062 | 121.2° | 120.1° |
C05 | C06 | C07 | H061 | 121.3° | 119.9° |
C05 | C06 | C07 | C08 | 70.2° | 65.0° |
C06 | C05 | C13 | C14 | 180.0° | 179.9° |
C06 | C05 | C04 | H041 | 0.3° | 0.0° |
C05 | C06 | H062 | H061 | 116.0° | 120.0° |
C05 | C06 | C07 | H071 | 170.3° | 55.1° |
C06 | C05 | C13 | H131 | 0.0° | 0.0° |
C07 | C06 | C05 | C13 | 106.2° | 90.0° |
C06 | C07 | C08 | H071 | 119.5° | 120.0° |
C06 | C07 | C08 | N09 | 14.2° | 15.0° |
C07 | C06 | H062 | H061 | 116.1° | 120.0° |
C05 | C13 | C14 | C15 | 0.3° | 0.4° |
C05 | C13 | C14 | H131 | 180.0° | 179.9° |
C13 | C05 | C04 | H041 | 179.9° | 180.0° |
C13 | C05 | C06 | H062 | 15.0° | 30.1° |
C13 | C05 | C06 | H061 | 132.5° | 150.0° |
C05 | C13 | C14 | H141 | 179.7° | 180.0° |
C08 | C07 | C06 | H062 | 51.0° | 174.9° |
C08 | C07 | C06 | H061 | 168.5° | 54.9° |
C15 | C14 | C13 | H141 | 180.0° | 179.6° |
C15 | C14 | C13 | H131 | 179.7° | 179.7° |
C13 | C14 | C15 | H151 | 179.9° | 179.7° |
N09 | C08 | C07 | H071 | 105.3° | 105.0° |
H062 | C06 | C07 | H071 | 68.5° | 65.0° |
H061 | C06 | C07 | H071 | 49.0° | 175.0° |
H131 | C13 | C14 | H141 | 0.3° | 0.1° |
H141 | C14 | C15 | H151 | 0.1° | 0.0° |
H171 | C17 | N18 | H181 | 0.3° | 0.0° |
H211 | C21 | C22 | H1 | 0.1° | 0.0° |
H1 | C22 | C23 | H231 | 0.1° | 0.1° |