I7G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C05 | N06 | sing | 1.47Å | 1.47Å | |
| C05 | C04 | sing | 1.53Å | 1.53Å | |
| N06 | C07 | sing | 1.35Å | 1.46Å | |
| O01 | C02 | doub | 1.22Å | 1.20Å | |
| C04 | S03 | sing | 1.81Å | 1.84Å | |
| C08 | C07 | sing | 1.51Å | 1.53Å | |
| C07 | O09 | doub | 1.21Å | 1.19Å | |
| C02 | S03 | sing | 1.76Å | 1.82Å | |
| C02 | C10 | sing | 1.47Å | 1.53Å | |
| C11 | C10 | doub | 1.33Å | 1.32Å | |
| C11 | C12 | sing | 1.51Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H083 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H163 | sing | 1.09Å | 1.10Å | |
| N06 | H061 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N06 | C05 | C04 | 117.1° | 109.5° |
| C05 | N06 | C07 | 122.7° | 120.0° |
| N06 | C05 | H052 | 107.5° | 109.4° |
| N06 | C05 | H051 | 107.5° | 109.4° |
| C05 | N06 | H061 | 118.7° | 120.0° |
| C05 | C04 | S03 | 110.7° | 109.4° |
| C05 | C04 | H041 | 109.1° | 109.5° |
| C05 | C04 | H042 | 109.2° | 109.5° |
| C04 | C05 | H052 | 107.5° | 109.5° |
| C04 | C05 | H051 | 107.5° | 109.5° |
| N06 | C07 | C08 | 119.4° | 120.0° |
| N06 | C07 | O09 | 121.6° | 120.0° |
| C07 | N06 | H061 | 118.6° | 120.0° |
| O01 | C02 | S03 | 122.6° | 120.0° |
| O01 | C02 | C10 | 117.0° | 120.0° |
| C04 | S03 | C02 | 114.2° | 100.0° |
| S03 | C04 | H041 | 109.2° | 109.4° |
| S03 | C04 | H042 | 109.1° | 109.4° |
| C08 | C07 | O09 | 119.0° | 120.0° |
| C07 | C08 | H082 | 109.5° | 109.5° |
| C07 | C08 | H083 | 109.5° | 109.4° |
| C07 | C08 | H081 | 109.5° | 109.5° |
| S03 | C02 | C10 | 120.3° | 120.0° |
| C02 | C10 | C11 | 118.3° | 120.0° |
| C02 | C10 | H101 | 120.8° | 120.0° |
| C10 | C11 | C12 | 121.9° | 120.0° |
| C11 | C10 | H101 | 120.8° | 120.0° |
| C10 | C11 | H111 | 119.0° | 120.1° |
| C11 | C12 | C13 | 111.7° | 109.5° |
| C12 | C11 | H111 | 119.0° | 120.0° |
| C11 | C12 | H122 | 108.9° | 109.5° |
| C11 | C12 | H121 | 108.9° | 109.5° |
| C12 | C13 | C14 | 108.3° | 109.5° |
| C13 | C12 | H122 | 108.9° | 109.4° |
| C13 | C12 | H121 | 108.9° | 109.5° |
| C12 | C13 | H132 | 109.8° | 109.5° |
| C12 | C13 | H131 | 109.7° | 109.5° |
| C16 | C15 | C14 | 110.9° | 109.5° |
| C16 | C15 | H151 | 109.1° | 109.4° |
| C16 | C15 | H152 | 109.1° | 109.5° |
| C15 | C16 | H162 | 109.5° | 109.5° |
| C15 | C16 | H161 | 109.5° | 109.5° |
| C15 | C16 | H163 | 109.4° | 109.5° |
| C15 | C14 | C13 | 115.9° | 109.5° |
| C15 | C14 | H141 | 107.8° | 109.4° |
| C15 | C14 | H142 | 107.8° | 109.5° |
| C14 | C15 | H151 | 109.1° | 109.5° |
| C14 | C15 | H152 | 109.1° | 109.5° |
| C14 | C13 | H132 | 109.7° | 109.5° |
| C14 | C13 | H131 | 109.8° | 109.5° |
| C13 | C14 | H141 | 107.9° | 109.5° |
| C13 | C14 | H142 | 107.9° | 109.5° |
| H122 | C12 | H121 | 109.5° | 109.5° |
| H132 | C13 | H131 | 109.5° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H151 | C15 | H152 | 109.5° | 109.5° |
| H041 | C04 | H042 | 109.5° | 109.5° |
| H052 | C05 | H051 | 109.5° | 109.5° |
| H082 | C08 | H083 | 109.5° | 109.5° |
| H082 | C08 | H081 | 109.5° | 109.5° |
| H083 | C08 | H081 | 109.4° | 109.5° |
| H162 | C16 | H161 | 109.5° | 109.4° |
| H162 | C16 | H163 | 109.5° | 109.4° |
| H161 | C16 | H163 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N06 | C05 | C04 | H052 | 121.1° | 120.0° |
| N06 | C05 | C04 | H051 | 121.1° | 119.9° |
| C05 | N06 | C07 | H061 | 180.0° | 180.0° |
| N06 | C05 | C04 | S03 | 122.6° | 180.0° |
| C05 | N06 | C07 | C08 | 178.8° | 180.0° |
| C05 | N06 | C07 | O09 | 2.2° | 0.0° |
| N06 | C05 | C04 | H041 | 117.2° | 60.0° |
| N06 | C05 | C04 | H042 | 2.4° | 60.0° |
| N06 | C05 | H052 | H051 | 116.5° | 119.9° |
| C04 | C05 | N06 | C07 | 76.0° | 180.0° |
| C05 | C04 | S03 | H041 | 120.2° | 120.0° |
| C05 | C04 | S03 | H042 | 120.2° | 120.0° |
| C05 | C04 | S03 | C02 | 89.3° | 180.0° |
| C05 | C04 | H041 | H042 | 119.4° | 120.1° |
| C04 | C05 | H052 | H051 | 116.5° | 120.1° |
| C04 | C05 | N06 | H061 | 103.9° | 0.0° |
| N06 | C07 | C08 | O09 | 179.1° | 180.0° |
| C07 | N06 | C05 | H052 | 45.1° | 60.0° |
| C07 | N06 | C05 | H051 | 162.9° | 60.0° |
| N06 | C07 | C08 | H082 | 179.1° | 90.0° |
| N06 | C07 | C08 | H083 | 59.1° | 30.0° |
| N06 | C07 | C08 | H081 | 60.9° | 150.0° |
| O01 | C02 | S03 | C04 | 6.1° | 0.0° |
| O01 | C02 | S03 | C10 | 179.3° | 180.0° |
| O01 | C02 | C10 | C11 | 69.1° | 0.3° |
| O01 | C02 | C10 | H101 | 110.9° | 180.0° |
| C04 | S03 | C02 | C10 | 173.2° | 180.0° |
| S03 | C04 | H041 | H042 | 119.4° | 119.9° |
| S03 | C04 | C05 | H052 | 1.5° | 60.0° |
| S03 | C04 | C05 | H051 | 116.3° | 60.1° |
| C07 | C08 | H082 | H083 | 120.0° | 120.0° |
| C07 | C08 | H082 | H081 | 120.0° | 120.0° |
| C07 | C08 | H083 | H081 | 120.0° | 120.0° |
| C08 | C07 | N06 | H061 | 1.3° | 0.0° |
| O09 | C07 | C08 | H082 | 0.0° | 90.0° |
| O09 | C07 | C08 | H083 | 120.0° | 150.1° |
| O09 | C07 | C08 | H081 | 120.0° | 30.1° |
| O09 | C07 | N06 | H061 | 177.8° | 180.0° |
| S03 | C02 | C10 | C11 | 110.2° | 179.7° |
| S03 | C02 | C10 | H101 | 69.8° | 0.1° |
| C02 | S03 | C04 | H041 | 30.8° | 60.0° |
| C02 | S03 | C04 | H042 | 150.5° | 60.0° |
| C02 | C10 | C11 | H101 | 180.0° | 179.7° |
| C02 | C10 | C11 | C12 | 178.1° | 179.7° |
| C02 | C10 | C11 | H111 | 1.8° | 0.2° |
| C10 | C11 | C12 | H111 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 61.2° | 125.0° |
| C10 | C11 | C12 | H122 | 178.4° | 115.1° |
| C10 | C11 | C12 | H121 | 59.1° | 4.9° |
| C11 | C12 | C13 | H122 | 120.3° | 120.0° |
| C11 | C12 | C13 | H121 | 120.4° | 120.1° |
| C11 | C12 | C13 | C14 | 96.4° | 180.0° |
| C12 | C11 | C10 | H101 | 1.8° | 0.0° |
| C11 | C12 | H122 | H121 | 119.0° | 120.0° |
| C11 | C12 | C13 | H132 | 143.8° | 60.0° |
| C11 | C12 | C13 | H131 | 23.4° | 60.0° |
| C12 | C13 | C14 | C15 | 45.2° | 180.0° |
| C12 | C13 | C14 | H132 | 119.8° | 120.0° |
| C12 | C13 | C14 | H131 | 119.8° | 120.0° |
| C13 | C12 | C11 | H111 | 118.8° | 54.9° |
| C13 | C12 | H122 | H121 | 119.0° | 120.0° |
| C12 | C13 | H132 | H131 | 120.5° | 120.0° |
| C12 | C13 | C14 | H141 | 75.7° | 60.1° |
| C12 | C13 | C14 | H142 | 166.2° | 60.0° |
| C16 | C15 | C14 | H151 | 120.2° | 119.9° |
| C16 | C15 | C14 | H152 | 120.2° | 120.0° |
| C16 | C15 | C14 | C13 | 175.3° | 180.0° |
| C16 | C15 | C14 | H141 | 63.8° | 60.0° |
| C16 | C15 | C14 | H142 | 54.4° | 60.0° |
| C16 | C15 | H151 | H152 | 119.4° | 120.0° |
| C15 | C16 | H162 | H161 | 120.0° | 120.0° |
| C15 | C16 | H162 | H163 | 120.0° | 120.1° |
| C15 | C16 | H161 | H163 | 120.0° | 120.1° |
| C15 | C14 | C13 | H141 | 120.9° | 119.9° |
| C15 | C14 | C13 | H142 | 120.9° | 120.0° |
| C15 | C14 | C13 | H132 | 74.6° | 60.0° |
| C15 | C14 | C13 | H131 | 165.0° | 60.0° |
| C15 | C14 | H141 | H142 | 117.1° | 120.0° |
| C14 | C15 | H151 | H152 | 119.4° | 120.1° |
| C14 | C15 | C16 | H162 | 180.0° | 60.0° |
| C14 | C15 | C16 | H161 | 60.0° | 59.9° |
| C14 | C15 | C16 | H163 | 60.0° | 180.0° |
| C14 | C13 | C12 | H122 | 23.9° | 60.0° |
| C14 | C13 | C12 | H121 | 143.2° | 60.0° |
| C14 | C13 | H132 | H131 | 120.5° | 120.0° |
| C13 | C14 | H141 | H142 | 117.1° | 120.1° |
| C13 | C14 | C15 | H151 | 55.1° | 60.1° |
| C13 | C14 | C15 | H152 | 64.5° | 60.0° |
| H101 | C10 | C11 | H111 | 178.2° | 179.9° |
| H111 | C11 | C12 | H122 | 1.5° | 65.0° |
| H111 | C11 | C12 | H121 | 120.8° | 175.0° |
| H122 | C12 | C13 | H132 | 95.9° | 180.0° |
| H122 | C12 | C13 | H131 | 143.8° | 60.0° |
| H121 | C12 | C13 | H132 | 23.4° | 60.1° |
| H121 | C12 | C13 | H131 | 96.9° | 179.9° |
| H132 | C13 | C14 | H141 | 164.5° | 179.9° |
| H132 | C13 | C14 | H142 | 46.3° | 60.0° |
| H131 | C13 | C14 | H141 | 44.1° | 59.9° |
| H131 | C13 | C14 | H142 | 74.0° | 180.0° |
| H141 | C14 | C15 | H151 | 176.0° | 180.0° |
| H141 | C14 | C15 | H152 | 56.5° | 60.0° |
| H142 | C14 | C15 | H151 | 65.8° | 60.0° |
| H142 | C14 | C15 | H152 | 174.6° | 180.0° |
| H151 | C15 | C16 | H162 | 59.8° | 180.0° |
| H151 | C15 | C16 | H161 | 60.2° | 60.0° |
| H151 | C15 | C16 | H163 | 179.8° | 60.0° |
| H152 | C15 | C16 | H162 | 59.8° | 60.1° |
| H152 | C15 | C16 | H161 | 179.8° | 180.0° |
| H152 | C15 | C16 | H163 | 60.2° | 60.0° |
| H041 | C04 | C05 | H052 | 121.7° | 59.9° |
| H041 | C04 | C05 | H051 | 3.9° | 180.0° |
| H042 | C04 | C05 | H052 | 118.7° | 180.0° |
| H042 | C04 | C05 | H051 | 123.5° | 59.9° |
| H052 | C05 | N06 | H061 | 135.0° | 120.0° |
| H051 | C05 | N06 | H061 | 17.2° | 120.0° |
| H082 | C08 | H083 | H081 | 120.0° | 120.0° |
| H162 | C16 | H161 | H163 | 120.0° | 119.9° |
