6NY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O14 | C13 | sing | 1.43Å | 1.45Å | |
| C13 | C15 | sing | 1.53Å | 1.55Å | |
| C13 | C12 | sing | 1.51Å | 1.55Å | |
| C16 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.41Å | Aromatic |
| C17 | C18 | doub | 1.39Å | 1.38Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C10 | sing | 1.39Å | 1.42Å | Aromatic |
| C18 | N19 | sing | 1.40Å | 1.45Å | |
| C10 | O09 | sing | 1.36Å | 1.39Å | |
| N19 | O20 | sing | 1.42Å | 1.40Å | |
| O09 | C08 | sing | 1.36Å | 1.46Å | |
| C21 | C08 | doub | 1.39Å | 1.36Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.47Å | Aromatic |
| C08 | C07 | sing | 1.39Å | 1.37Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C04 | N03 | sing | 1.46Å | 1.46Å | |
| C07 | C06 | doub | 1.39Å | 1.45Å | Aromatic |
| C23 | C06 | sing | 1.40Å | 1.37Å | Aromatic |
| C06 | C02 | sing | 1.48Å | 1.59Å | |
| N03 | C02 | sing | 1.35Å | 1.43Å | |
| N03 | C05 | sing | 1.46Å | 1.43Å | |
| C02 | O01 | doub | 1.22Å | 1.22Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C04 | H043 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C05 | H053 | 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 | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| O14 | H141 | sing | 0.97Å | 0.95Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H153 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| N19 | H191 | sing | 0.97Å | 1.00Å | |
| O20 | H201 | sing | 0.97Å | 0.95Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | 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) |
| O14 | C13 | C15 | 110.7° | 109.5° |
| O14 | C13 | C12 | 108.0° | 109.4° |
| O14 | C13 | H131 | 108.8° | 109.4° |
| C13 | O14 | H141 | 109.5° | 114.1° |
| C15 | C13 | C12 | 114.2° | 109.5° |
| C15 | C13 | H131 | 107.6° | 109.5° |
| C13 | C15 | H151 | 109.5° | 109.5° |
| C13 | C15 | H152 | 109.4° | 109.5° |
| C13 | C15 | H153 | 109.5° | 109.5° |
| C13 | C12 | C16 | 115.2° | 120.0° |
| C13 | C12 | C11 | 125.3° | 119.9° |
| C12 | C13 | H131 | 107.5° | 109.5° |
| C12 | C16 | C17 | 120.6° | 120.2° |
| C16 | C12 | C11 | 119.5° | 120.2° |
| C12 | C16 | H161 | 119.7° | 119.9° |
| C16 | C17 | C18 | 120.3° | 120.0° |
| C17 | C16 | H161 | 119.7° | 119.9° |
| C16 | C17 | H171 | 119.9° | 120.0° |
| C12 | C11 | C10 | 120.6° | 120.0° |
| C12 | C11 | H111 | 119.7° | 120.0° |
| C17 | C18 | C10 | 120.9° | 119.8° |
| C17 | C18 | N19 | 120.9° | 120.1° |
| C18 | C17 | H171 | 119.8° | 120.0° |
| C11 | C10 | C18 | 118.1° | 119.9° |
| C11 | C10 | O09 | 125.0° | 120.1° |
| C10 | C11 | H111 | 119.7° | 120.0° |
| C10 | C18 | N19 | 118.2° | 120.1° |
| C18 | C10 | O09 | 116.8° | 120.0° |
| C18 | N19 | O20 | 116.5° | 120.0° |
| C18 | N19 | H191 | 107.7° | 120.0° |
| C10 | O09 | C08 | 116.3° | 118.0° |
| O20 | N19 | H191 | 107.7° | 120.0° |
| N19 | O20 | H201 | 109.5° | 114.1° |
| O09 | C08 | C21 | 123.4° | 120.0° |
| O09 | C08 | C07 | 117.0° | 120.0° |
| C08 | C21 | C22 | 119.7° | 120.2° |
| C21 | C08 | C07 | 119.6° | 120.0° |
| C08 | C21 | H211 | 120.2° | 119.9° |
| C21 | C22 | C23 | 120.6° | 120.2° |
| C22 | C21 | H211 | 120.2° | 119.9° |
| C21 | C22 | H221 | 119.7° | 119.9° |
| C08 | C07 | C06 | 121.1° | 119.8° |
| C08 | C07 | H071 | 119.5° | 120.1° |
| C22 | C23 | C06 | 118.8° | 120.0° |
| C23 | C22 | H221 | 119.7° | 119.9° |
| C22 | C23 | H231 | 120.6° | 120.0° |
| C04 | N03 | C02 | 121.1° | 120.0° |
| C04 | N03 | C05 | 122.6° | 120.0° |
| N03 | C04 | H041 | 109.5° | 109.5° |
| N03 | C04 | H042 | 109.5° | 109.5° |
| N03 | C04 | H043 | 109.5° | 109.5° |
| C07 | C06 | C23 | 120.2° | 119.8° |
| C07 | C06 | C02 | 112.9° | 120.1° |
| C06 | C07 | H071 | 119.4° | 120.1° |
| C23 | C06 | C02 | 126.9° | 120.1° |
| C06 | C23 | H231 | 120.6° | 120.0° |
| C06 | C02 | N03 | 119.8° | 120.0° |
| C06 | C02 | O01 | 120.0° | 120.0° |
| C02 | N03 | C05 | 116.3° | 120.0° |
| N03 | C02 | O01 | 120.1° | 120.0° |
| N03 | C05 | H051 | 109.5° | 109.5° |
| N03 | C05 | H053 | 109.4° | 109.5° |
| N03 | C05 | H052 | 109.5° | 109.5° |
| H041 | C04 | H042 | 109.4° | 109.4° |
| H041 | C04 | H043 | 109.5° | 109.5° |
| H042 | C04 | H043 | 109.5° | 109.5° |
| H051 | C05 | H053 | 109.4° | 109.4° |
| H051 | C05 | H052 | 109.5° | 109.4° |
| H053 | C05 | H052 | 109.5° | 109.5° |
| H151 | C15 | H152 | 109.5° | 109.5° |
| H151 | C15 | H153 | 109.4° | 109.4° |
| H152 | C15 | H153 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O14 | C13 | C15 | C12 | 122.1° | 120.0° |
| O14 | C13 | C15 | H131 | 118.7° | 120.0° |
| O14 | C13 | C12 | H131 | 117.2° | 119.9° |
| O14 | C13 | C12 | C16 | 81.3° | 35.0° |
| O14 | C13 | C12 | C11 | 99.3° | 145.0° |
| O14 | C13 | C15 | H151 | 180.0° | 180.0° |
| O14 | C13 | C15 | H152 | 60.0° | 60.0° |
| O14 | C13 | C15 | H153 | 60.0° | 60.0° |
| C15 | C13 | C12 | H131 | 119.3° | 120.1° |
| C15 | C13 | C12 | C16 | 155.1° | 85.0° |
| C15 | C13 | C12 | C11 | 24.3° | 95.0° |
| C15 | C13 | O14 | H141 | 180.0° | 59.9° |
| C13 | C15 | H151 | H152 | 120.0° | 120.0° |
| C13 | C15 | H151 | H153 | 120.0° | 120.0° |
| C13 | C15 | H152 | H153 | 120.0° | 120.0° |
| C13 | C12 | C16 | C11 | 179.5° | 180.0° |
| C13 | C12 | C16 | C17 | 179.1° | 180.0° |
| C13 | C12 | C11 | C10 | 178.5° | 180.0° |
| C13 | C12 | C11 | H111 | 1.5° | 0.0° |
| C12 | C13 | O14 | H141 | 54.4° | 60.1° |
| C12 | C13 | C15 | H151 | 57.9° | 60.0° |
| C12 | C13 | C15 | H152 | 177.9° | 179.9° |
| C12 | C13 | C15 | H153 | 62.1° | 59.9° |
| C13 | C12 | C16 | H161 | 0.9° | 0.1° |
| C12 | C16 | C17 | H161 | 180.0° | 179.9° |
| C12 | C16 | C17 | C18 | 0.7° | 0.4° |
| C16 | C12 | C11 | C10 | 0.9° | 0.0° |
| C16 | C12 | C11 | H111 | 179.1° | 180.0° |
| C16 | C12 | C13 | H131 | 35.9° | 154.9° |
| C12 | C16 | C17 | H171 | 179.3° | 180.0° |
| C17 | C16 | C12 | C11 | 0.3° | 0.1° |
| C16 | C17 | C18 | H171 | 180.0° | 179.6° |
| C16 | C17 | C18 | C10 | 1.7° | 0.6° |
| C16 | C17 | C18 | N19 | 179.8° | 180.0° |
| C12 | C11 | C10 | H111 | 180.0° | 180.0° |
| C12 | C11 | C10 | C18 | 1.8° | 0.2° |
| C12 | C11 | C10 | O09 | 178.3° | 180.0° |
| C11 | C12 | C13 | H131 | 143.6° | 25.1° |
| C11 | C12 | C16 | H161 | 179.7° | 180.0° |
| C17 | C18 | C10 | C11 | 2.2° | 0.6° |
| C17 | C18 | C10 | N19 | 178.2° | 179.4° |
| C17 | C18 | C10 | O09 | 179.0° | 179.7° |
| C17 | C18 | N19 | O20 | 139.8° | 0.0° |
| C18 | C17 | C16 | H161 | 179.3° | 179.7° |
| C17 | C18 | N19 | H191 | 99.1° | 180.0° |
| C11 | C10 | C18 | O09 | 176.8° | 179.8° |
| C11 | C10 | C18 | N19 | 179.6° | 180.0° |
| C11 | C10 | O09 | C08 | 24.8° | 1.6° |
| C10 | C18 | N19 | O20 | 38.4° | 179.4° |
| C18 | C10 | O09 | C08 | 158.6° | 178.1° |
| C18 | C10 | C11 | H111 | 178.2° | 179.7° |
| C10 | C18 | C17 | H171 | 178.3° | 179.7° |
| C10 | C18 | N19 | H191 | 82.7° | 0.6° |
| N19 | C18 | C10 | O09 | 2.8° | 0.3° |
| C18 | N19 | O20 | H191 | 121.0° | 180.0° |
| N19 | C18 | C17 | H171 | 0.2° | 0.3° |
| C18 | N19 | O20 | H201 | 180.0° | 180.0° |
| C10 | O09 | C08 | C21 | 127.8° | 104.1° |
| C10 | O09 | C08 | C07 | 52.6° | 75.8° |
| O09 | C10 | C11 | H111 | 1.7° | 0.0° |
| O09 | C08 | C21 | C07 | 179.6° | 179.9° |
| O09 | C08 | C21 | C22 | 179.7° | 180.0° |
| O09 | C08 | C07 | C06 | 179.8° | 180.0° |
| O09 | C08 | C07 | H071 | 0.3° | 0.1° |
| O09 | C08 | C21 | H211 | 0.3° | 0.0° |
| C08 | C21 | C22 | H211 | 180.0° | 180.0° |
| C08 | C21 | C22 | C23 | 0.5° | 0.3° |
| C21 | C08 | C07 | C06 | 0.6° | 0.1° |
| C21 | C08 | C07 | H071 | 179.3° | 180.0° |
| C08 | C21 | C22 | H221 | 179.5° | 179.9° |
| C22 | C21 | C08 | C07 | 0.1° | 0.0° |
| C21 | C22 | C23 | H221 | 180.0° | 179.6° |
| C21 | C22 | C23 | C06 | 0.5° | 0.6° |
| C21 | C22 | C23 | H231 | 179.5° | 180.0° |
| C08 | C07 | C06 | H071 | 180.0° | 179.9° |
| C08 | C07 | C06 | C23 | 0.6° | 0.4° |
| C08 | C07 | C06 | C02 | 179.2° | 180.0° |
| C07 | C08 | C21 | H211 | 179.9° | 180.0° |
| C22 | C23 | C06 | C07 | 0.0° | 0.7° |
| C22 | C23 | C06 | H231 | 180.0° | 179.3° |
| C22 | C23 | C06 | C02 | 179.8° | 179.7° |
| C23 | C22 | C21 | H211 | 179.5° | 179.7° |
| C04 | N03 | C02 | C06 | 2.5° | 4.4° |
| C04 | N03 | C02 | C05 | 179.6° | 180.0° |
| C04 | N03 | C02 | O01 | 179.3° | 175.3° |
| N03 | C04 | H041 | H042 | 120.0° | 120.0° |
| N03 | C04 | H041 | H043 | 120.0° | 120.0° |
| N03 | C04 | H042 | H043 | 120.0° | 120.0° |
| C04 | N03 | C05 | H051 | 180.0° | 180.0° |
| C04 | N03 | C05 | H053 | 60.0° | 60.0° |
| C04 | N03 | C05 | H052 | 60.0° | 60.0° |
| C07 | C06 | C23 | C02 | 179.8° | 179.6° |
| C07 | C06 | C02 | N03 | 124.7° | 147.8° |
| C07 | C06 | C02 | O01 | 52.2° | 31.9° |
| C07 | C06 | C23 | H231 | 180.0° | 180.0° |
| C23 | C06 | C02 | N03 | 55.1° | 32.6° |
| C23 | C06 | C02 | O01 | 128.1° | 147.7° |
| C23 | C06 | C07 | H071 | 179.4° | 179.7° |
| C06 | C23 | C22 | H221 | 179.5° | 179.8° |
| C06 | C02 | N03 | O01 | 176.8° | 179.7° |
| C06 | C02 | N03 | C05 | 178.0° | 175.6° |
| C02 | C06 | C07 | H071 | 0.8° | 0.1° |
| C02 | C06 | C23 | H231 | 0.2° | 0.4° |
| C02 | N03 | C04 | H041 | 180.0° | 90.0° |
| C02 | N03 | C04 | H042 | 60.0° | 150.1° |
| C02 | N03 | C04 | H043 | 60.0° | 30.0° |
| C02 | N03 | C05 | H051 | 0.5° | 0.0° |
| C02 | N03 | C05 | H053 | 120.4° | 120.0° |
| C02 | N03 | C05 | H052 | 119.6° | 120.0° |
| C05 | N03 | C02 | O01 | 1.2° | 4.7° |
| C05 | N03 | C04 | H041 | 0.5° | 90.0° |
| C05 | N03 | C04 | H042 | 120.5° | 29.9° |
| C05 | N03 | C04 | H043 | 119.6° | 150.0° |
| N03 | C05 | H051 | H053 | 120.0° | 120.0° |
| N03 | C05 | H051 | H052 | 120.0° | 120.1° |
| N03 | C05 | H053 | H052 | 120.0° | 120.0° |
| H041 | C04 | H042 | H043 | 120.0° | 120.0° |
| H051 | C05 | H053 | H052 | 120.0° | 119.9° |
| H131 | C13 | O14 | H141 | 62.0° | 180.0° |
| H131 | C13 | C15 | H151 | 61.3° | 60.1° |
| H131 | C13 | C15 | H152 | 58.7° | 60.0° |
| H131 | C13 | C15 | H153 | 178.7° | 180.0° |
| H151 | C15 | H152 | H153 | 120.0° | 119.9° |
| H161 | C16 | C17 | H171 | 0.7° | 0.1° |
| H191 | N19 | O20 | H201 | 59.0° | 0.1° |
| H211 | C21 | C22 | H221 | 0.5° | 0.1° |
| H221 | C22 | C23 | H231 | 0.5° | 0.4° |
