24K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| C02 | C03 | sing | 1.53Å | 1.54Å | |
| C03 | C04 | sing | 1.53Å | 1.54Å | |
| C04 | N05 | sing | 1.47Å | 1.46Å | |
| C14 | C13 | sing | 1.53Å | 1.51Å | |
| C14 | C15 | sing | 1.53Å | 1.51Å | |
| N05 | C06 | sing | 1.38Å | 1.46Å | |
| O16 | C15 | sing | 1.43Å | 1.42Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C15 | C17 | sing | 1.53Å | 1.51Å | |
| C06 | N19 | doub | 1.32Å | 1.34Å | Aromatic |
| C06 | N07 | sing | 1.33Å | 1.35Å | Aromatic |
| N19 | C10 | sing | 1.33Å | 1.34Å | Aromatic |
| C12 | N11 | sing | 1.46Å | 1.45Å | |
| C12 | C18 | sing | 1.53Å | 1.51Å | |
| N07 | C08 | doub | 1.32Å | 1.37Å | Aromatic |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C10 | N11 | sing | 1.38Å | 1.45Å | |
| C10 | C09 | doub | 1.41Å | 1.41Å | Aromatic |
| C08 | C09 | sing | 1.39Å | 1.40Å | Aromatic |
| C09 | C20 | sing | 1.48Å | 1.42Å | |
| C20 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
| C20 | N25 | sing | 1.33Å | 1.35Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
| N25 | C24 | doub | 1.32Å | 1.35Å | Aromatic |
| C22 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C02 | H022 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| N05 | H051 | sing | 0.97Å | 1.00Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| N11 | H111 | sing | 0.97Å | 1.00Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| O16 | H161 | sing | 0.97Å | 0.95Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 112.5° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.4° |
| C01 | C02 | H021 | 108.7° | 109.4° |
| C01 | C02 | H022 | 108.7° | 109.5° |
| C02 | C03 | C04 | 111.9° | 109.5° |
| C03 | C02 | H021 | 108.7° | 109.5° |
| C03 | C02 | H022 | 108.7° | 109.5° |
| C02 | C03 | H032 | 108.9° | 109.5° |
| C02 | C03 | H031 | 108.9° | 109.5° |
| C03 | C04 | N05 | 111.6° | 109.5° |
| C04 | C03 | H032 | 108.8° | 109.5° |
| C04 | C03 | H031 | 108.9° | 109.4° |
| C03 | C04 | H042 | 108.9° | 109.5° |
| C03 | C04 | H041 | 108.9° | 109.5° |
| C04 | N05 | C06 | 119.4° | 120.0° |
| N05 | C04 | H042 | 109.0° | 109.5° |
| N05 | C04 | H041 | 108.9° | 109.4° |
| C04 | N05 | H051 | 106.9° | 120.0° |
| C13 | C14 | C15 | 112.0° | 109.4° |
| C14 | C13 | C12 | 112.6° | 109.5° |
| C14 | C13 | H131 | 108.7° | 109.5° |
| C14 | C13 | H132 | 108.7° | 109.5° |
| C13 | C14 | H142 | 108.8° | 109.5° |
| C13 | C14 | H141 | 108.8° | 109.5° |
| C14 | C15 | O16 | 108.4° | 109.5° |
| C14 | C15 | C17 | 111.8° | 109.5° |
| C15 | C14 | H142 | 108.9° | 109.5° |
| C15 | C14 | H141 | 108.8° | 109.5° |
| C14 | C15 | H151 | 108.7° | 109.5° |
| N05 | C06 | N19 | 117.0° | 119.0° |
| N05 | C06 | N07 | 122.7° | 119.0° |
| C06 | N05 | H051 | 106.9° | 120.0° |
| O16 | C15 | C17 | 109.3° | 109.5° |
| O16 | C15 | H151 | 110.0° | 109.4° |
| C15 | O16 | H161 | 109.5° | 114.1° |
| C13 | C12 | N11 | 106.7° | 109.5° |
| C13 | C12 | C18 | 113.4° | 109.5° |
| C13 | C12 | H121 | 109.0° | 109.5° |
| C12 | C13 | H131 | 108.7° | 109.5° |
| C12 | C13 | H132 | 108.7° | 109.4° |
| C15 | C17 | C18 | 111.9° | 109.5° |
| C17 | C15 | H151 | 108.7° | 109.5° |
| C15 | C17 | H172 | 108.9° | 109.4° |
| C15 | C17 | H171 | 108.9° | 109.5° |
| N19 | C06 | N07 | 120.2° | 122.0° |
| C06 | N19 | C10 | 123.2° | 120.7° |
| C06 | N07 | C08 | 119.5° | 121.1° |
| N19 | C10 | N11 | 117.2° | 120.5° |
| N19 | C10 | C09 | 118.6° | 118.9° |
| N11 | C12 | C18 | 108.7° | 109.4° |
| C12 | N11 | C10 | 120.4° | 120.0° |
| C12 | N11 | H111 | 106.6° | 120.0° |
| N11 | C12 | H121 | 109.9° | 109.4° |
| C12 | C18 | C17 | 111.7° | 109.4° |
| C18 | C12 | H121 | 109.1° | 109.5° |
| C12 | C18 | H181 | 108.9° | 109.5° |
| C12 | C18 | H182 | 108.9° | 109.5° |
| N07 | C08 | C09 | 121.0° | 119.1° |
| N07 | C08 | H081 | 119.5° | 120.5° |
| C18 | C17 | H172 | 108.9° | 109.5° |
| C18 | C17 | H171 | 108.9° | 109.5° |
| C17 | C18 | H181 | 108.9° | 109.5° |
| C17 | C18 | H182 | 108.9° | 109.5° |
| N11 | C10 | C09 | 124.2° | 120.6° |
| C10 | N11 | H111 | 106.7° | 120.0° |
| C10 | C09 | C08 | 117.5° | 118.2° |
| C10 | C09 | C20 | 121.6° | 120.9° |
| C08 | C09 | C20 | 121.0° | 120.9° |
| C09 | C08 | H081 | 119.5° | 120.4° |
| C09 | C20 | C21 | 119.4° | 119.7° |
| C09 | C20 | N25 | 120.9° | 119.8° |
| C21 | C20 | N25 | 119.7° | 120.5° |
| C20 | C21 | C22 | 119.2° | 119.1° |
| C20 | C21 | H211 | 120.4° | 120.5° |
| C20 | N25 | C24 | 122.6° | 121.6° |
| C21 | C22 | C23 | 119.4° | 118.6° |
| C22 | C21 | H211 | 120.4° | 120.5° |
| C21 | C22 | H221 | 120.3° | 120.7° |
| N25 | C24 | C23 | 119.2° | 120.9° |
| N25 | C24 | H241 | 120.4° | 119.6° |
| C22 | C23 | C24 | 119.9° | 119.3° |
| C23 | C22 | H221 | 120.3° | 120.7° |
| C22 | C23 | H231 | 120.1° | 120.3° |
| C24 | C23 | H231 | 120.1° | 120.4° |
| C23 | C24 | H241 | 120.4° | 119.5° |
| H013 | C01 | H012 | 109.4° | 109.5° |
| H013 | C01 | H011 | 109.5° | 109.5° |
| H012 | C01 | H011 | 109.5° | 109.5° |
| H021 | C02 | H022 | 109.5° | 109.5° |
| H032 | C03 | H031 | 109.5° | 109.5° |
| H042 | C04 | H041 | 109.5° | 109.5° |
| H131 | C13 | H132 | 109.5° | 109.5° |
| H142 | C14 | H141 | 109.5° | 109.5° |
| H172 | C17 | H171 | 109.5° | 109.5° |
| H181 | C18 | H182 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | H021 | 120.4° | 120.0° |
| C01 | C02 | C03 | H022 | 120.4° | 120.0° |
| C01 | C02 | C03 | C04 | 170.4° | 180.0° |
| C02 | C01 | H013 | H012 | 120.0° | 120.0° |
| C02 | C01 | H013 | H011 | 120.0° | 120.0° |
| C02 | C01 | H012 | H011 | 120.0° | 120.0° |
| C01 | C02 | H021 | H022 | 118.6° | 120.0° |
| C01 | C02 | C03 | H032 | 69.2° | 60.0° |
| C01 | C02 | C03 | H031 | 50.1° | 60.0° |
| C02 | C03 | C04 | H032 | 120.4° | 120.1° |
| C02 | C03 | C04 | H031 | 120.4° | 120.0° |
| C02 | C03 | C04 | N05 | 106.6° | 180.0° |
| C03 | C02 | C01 | H013 | 180.0° | 180.0° |
| C03 | C02 | C01 | H012 | 60.0° | 60.0° |
| C03 | C02 | C01 | H011 | 60.0° | 60.0° |
| C03 | C02 | H021 | H022 | 118.6° | 120.0° |
| C02 | C03 | H032 | H031 | 118.9° | 120.1° |
| C02 | C03 | C04 | H042 | 13.7° | 60.0° |
| C02 | C03 | C04 | H041 | 133.1° | 60.0° |
| C03 | C04 | N05 | H042 | 120.3° | 120.0° |
| C03 | C04 | N05 | H041 | 120.3° | 120.0° |
| C03 | C04 | N05 | C06 | 114.9° | 179.9° |
| C04 | C03 | C02 | H021 | 50.0° | 60.0° |
| C04 | C03 | C02 | H022 | 69.1° | 60.0° |
| C04 | C03 | H032 | H031 | 118.9° | 119.9° |
| C03 | C04 | H042 | H041 | 119.0° | 120.0° |
| C03 | C04 | N05 | H051 | 123.7° | 0.0° |
| C04 | N05 | C06 | H051 | 121.4° | 180.0° |
| C04 | N05 | C06 | N19 | 23.1° | 180.0° |
| C04 | N05 | C06 | N07 | 157.2° | 0.2° |
| N05 | C04 | C03 | H032 | 133.0° | 59.9° |
| N05 | C04 | C03 | H031 | 13.8° | 60.0° |
| N05 | C04 | H042 | H041 | 119.0° | 120.0° |
| C13 | C14 | C15 | H142 | 120.4° | 120.0° |
| C13 | C14 | C15 | H141 | 120.4° | 120.0° |
| C13 | C14 | C15 | O16 | 174.5° | 179.9° |
| C14 | C13 | C12 | H131 | 120.5° | 120.0° |
| C14 | C13 | C12 | H132 | 120.5° | 120.0° |
| C13 | C14 | C15 | C17 | 53.9° | 60.0° |
| C14 | C13 | C12 | N11 | 170.0° | 180.0° |
| C14 | C13 | C12 | C18 | 50.3° | 60.1° |
| C14 | C13 | C12 | H121 | 71.4° | 60.0° |
| C14 | C13 | H131 | H132 | 118.6° | 120.0° |
| C13 | C14 | H142 | H141 | 118.8° | 120.0° |
| C13 | C14 | C15 | H151 | 66.0° | 60.0° |
| C14 | C15 | O16 | C17 | 122.1° | 120.0° |
| C14 | C15 | O16 | H151 | 118.7° | 120.0° |
| C15 | C14 | C13 | C12 | 51.4° | 60.0° |
| C14 | C15 | C17 | H151 | 120.0° | 120.0° |
| C14 | C15 | C17 | C18 | 55.0° | 60.1° |
| C15 | C14 | C13 | H131 | 171.8° | 60.0° |
| C15 | C14 | C13 | H132 | 69.1° | 180.0° |
| C15 | C14 | H142 | H141 | 118.9° | 120.0° |
| C14 | C15 | O16 | H161 | 180.0° | 180.0° |
| C14 | C15 | C17 | H172 | 175.4° | 180.0° |
| C14 | C15 | C17 | H171 | 65.4° | 60.0° |
| N05 | C06 | N19 | N07 | 179.7° | 179.8° |
| N05 | C06 | N19 | C10 | 179.9° | 179.7° |
| N05 | C06 | N07 | C08 | 179.9° | 180.0° |
| C06 | N05 | C04 | H042 | 5.4° | 60.0° |
| C06 | N05 | C04 | H041 | 124.8° | 59.9° |
| O16 | C15 | C17 | H151 | 120.0° | 120.0° |
| O16 | C15 | C17 | C18 | 175.0° | 180.0° |
| O16 | C15 | C14 | H142 | 65.1° | 60.0° |
| O16 | C15 | C14 | H141 | 54.1° | 60.0° |
| O16 | C15 | C17 | H172 | 64.7° | 60.0° |
| O16 | C15 | C17 | H171 | 54.6° | 60.0° |
| C13 | C12 | N11 | C18 | 122.7° | 120.0° |
| C13 | C12 | N11 | H121 | 118.0° | 120.1° |
| C13 | C12 | C18 | H121 | 121.7° | 120.1° |
| C13 | C12 | C18 | C17 | 51.0° | 60.0° |
| C13 | C12 | N11 | C10 | 98.5° | 85.0° |
| C13 | C12 | N11 | H111 | 23.0° | 95.0° |
| C12 | C13 | H131 | H132 | 118.6° | 120.0° |
| C12 | C13 | C14 | H142 | 171.8° | 180.0° |
| C12 | C13 | C14 | H141 | 69.0° | 60.0° |
| C13 | C12 | C18 | H181 | 171.3° | 180.0° |
| C13 | C12 | C18 | H182 | 69.4° | 60.0° |
| C15 | C17 | C18 | C12 | 53.1° | 60.0° |
| C15 | C17 | C18 | H172 | 120.4° | 120.0° |
| C15 | C17 | C18 | H171 | 120.4° | 120.0° |
| C17 | C15 | C14 | H142 | 174.3° | 180.0° |
| C17 | C15 | C14 | H141 | 66.4° | 60.0° |
| C17 | C15 | O16 | H161 | 57.9° | 60.0° |
| C15 | C17 | H172 | H171 | 118.9° | 120.0° |
| C15 | C17 | C18 | H181 | 173.4° | 180.0° |
| C15 | C17 | C18 | H182 | 67.2° | 60.0° |
| N19 | C06 | N07 | C08 | 0.2° | 0.2° |
| C06 | N19 | C10 | N11 | 179.9° | 179.8° |
| C06 | N19 | C10 | C09 | 0.0° | 0.5° |
| N19 | C06 | N05 | H051 | 144.6° | 0.1° |
| N07 | C06 | N19 | C10 | 0.5° | 0.5° |
| C06 | N07 | C08 | C09 | 0.4° | 0.1° |
| N07 | C06 | N05 | H051 | 35.8° | 179.8° |
| C06 | N07 | C08 | H081 | 179.6° | 180.0° |
| N19 | C10 | N11 | C12 | 6.7° | 5.0° |
| N19 | C10 | N11 | C09 | 179.9° | 179.7° |
| N19 | C10 | C09 | C08 | 0.6° | 0.2° |
| N19 | C10 | C09 | C20 | 179.0° | 179.8° |
| N19 | C10 | N11 | H111 | 114.8° | 175.0° |
| N11 | C12 | C18 | H121 | 119.8° | 119.9° |
| N11 | C12 | C18 | C17 | 169.5° | 180.0° |
| C12 | N11 | C10 | H111 | 121.5° | 180.0° |
| C12 | N11 | C10 | C09 | 173.2° | 174.7° |
| N11 | C12 | C13 | H131 | 69.6° | 60.0° |
| N11 | C12 | C13 | H132 | 49.5° | 60.0° |
| N11 | C12 | C18 | H181 | 70.2° | 60.0° |
| N11 | C12 | C18 | H182 | 49.1° | 60.0° |
| C12 | C18 | C17 | H181 | 120.3° | 120.0° |
| C12 | C18 | C17 | H182 | 120.3° | 120.0° |
| C18 | C12 | N11 | C10 | 138.8° | 155.0° |
| C18 | C12 | N11 | H111 | 99.6° | 25.0° |
| C18 | C12 | C13 | H131 | 170.8° | 60.0° |
| C18 | C12 | C13 | H132 | 70.1° | 180.0° |
| C12 | C18 | C17 | H172 | 173.5° | 180.0° |
| C12 | C18 | C17 | H171 | 67.2° | 60.0° |
| C12 | C18 | H181 | H182 | 119.0° | 120.0° |
| N07 | C08 | C09 | C10 | 0.8° | 0.1° |
| N07 | C08 | C09 | H081 | 180.0° | 179.9° |
| N07 | C08 | C09 | C20 | 179.2° | 180.0° |
| C17 | C18 | C12 | H121 | 70.7° | 60.0° |
| C18 | C17 | C15 | H151 | 65.0° | 60.0° |
| C18 | C17 | H172 | H171 | 118.9° | 120.1° |
| C17 | C18 | H181 | H182 | 119.0° | 120.0° |
| N11 | C10 | C09 | C08 | 179.5° | 179.9° |
| N11 | C10 | C09 | C20 | 1.1° | 0.1° |
| C10 | N11 | C12 | H121 | 19.5° | 35.1° |
| C10 | C09 | C08 | C20 | 178.4° | 180.0° |
| C10 | C09 | C20 | C21 | 143.4° | 132.3° |
| C10 | C09 | C20 | N25 | 35.6° | 47.9° |
| C10 | C09 | C08 | H081 | 179.2° | 179.9° |
| C09 | C10 | N11 | H111 | 65.2° | 5.3° |
| C08 | C09 | C20 | C21 | 35.0° | 47.7° |
| C08 | C09 | C20 | N25 | 146.0° | 132.1° |
| C09 | C20 | C21 | N25 | 179.0° | 179.7° |
| C09 | C20 | C21 | C22 | 179.3° | 180.0° |
| C09 | C20 | N25 | C24 | 179.2° | 179.7° |
| C20 | C09 | C08 | H081 | 0.8° | 0.1° |
| C09 | C20 | C21 | H211 | 0.7° | 0.1° |
| C20 | C21 | C22 | H211 | 180.0° | 179.9° |
| C21 | C20 | N25 | C24 | 0.3° | 0.5° |
| C20 | C21 | C22 | C23 | 0.1° | 0.1° |
| C20 | C21 | C22 | H221 | 179.9° | 180.0° |
| N25 | C20 | C21 | C22 | 0.3° | 0.2° |
| C20 | N25 | C24 | C23 | 0.0° | 0.5° |
| N25 | C20 | C21 | H211 | 179.7° | 179.7° |
| C20 | N25 | C24 | H241 | 180.0° | 179.7° |
| C21 | C22 | C23 | H221 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 0.1° | 0.1° |
| C21 | C22 | C23 | H231 | 179.8° | 180.0° |
| N25 | C24 | C23 | C22 | 0.2° | 0.2° |
| N25 | C24 | C23 | H241 | 180.0° | 179.8° |
| N25 | C24 | C23 | H231 | 179.8° | 179.7° |
| C22 | C23 | C24 | H231 | 180.0° | 180.0° |
| C23 | C22 | C21 | H211 | 179.9° | 180.0° |
| C22 | C23 | C24 | H241 | 179.8° | 180.0° |
| C24 | C23 | C22 | H221 | 179.8° | 180.0° |
| H013 | C01 | H012 | H011 | 120.0° | 120.0° |
| H013 | C01 | C02 | H021 | 59.5° | 60.0° |
| H013 | C01 | C02 | H022 | 59.6° | 60.0° |
| H012 | C01 | C02 | H021 | 60.4° | 60.0° |
| H012 | C01 | C02 | H022 | 179.5° | 180.0° |
| H011 | C01 | C02 | H021 | 179.6° | 180.0° |
| H011 | C01 | C02 | H022 | 60.5° | 60.0° |
| H021 | C02 | C03 | H032 | 170.4° | 180.0° |
| H021 | C02 | C03 | H031 | 70.4° | 60.0° |
| H022 | C02 | C03 | H032 | 51.3° | 60.0° |
| H022 | C02 | C03 | H031 | 170.5° | 180.0° |
| H032 | C03 | C04 | H042 | 106.7° | 179.9° |
| H032 | C03 | C04 | H041 | 12.7° | 60.1° |
| H031 | C03 | C04 | H042 | 134.1° | 60.0° |
| H031 | C03 | C04 | H041 | 106.5° | 180.0° |
| H042 | C04 | N05 | H051 | 116.0° | 120.0° |
| H041 | C04 | N05 | H051 | 3.4° | 120.1° |
| H111 | N11 | C12 | H121 | 141.1° | 145.0° |
| H121 | C12 | C13 | H131 | 49.1° | 180.0° |
| H121 | C12 | C13 | H132 | 168.2° | 60.0° |
| H121 | C12 | C18 | H181 | 49.6° | 59.9° |
| H121 | C12 | C18 | H182 | 169.0° | 180.0° |
| H131 | C13 | C14 | H142 | 67.8° | 60.0° |
| H131 | C13 | C14 | H141 | 51.4° | 180.0° |
| H132 | C13 | C14 | H142 | 51.3° | 60.0° |
| H132 | C13 | C14 | H141 | 170.5° | 60.0° |
| H142 | C14 | C15 | H151 | 54.3° | 60.0° |
| H141 | C14 | C15 | H151 | 173.6° | 180.0° |
| H151 | C15 | O16 | H161 | 61.3° | 60.0° |
| H151 | C15 | C17 | H172 | 55.4° | 60.0° |
| H151 | C15 | C17 | H171 | 174.6° | 180.0° |
| H172 | C17 | C18 | H181 | 66.2° | 60.0° |
| H172 | C17 | C18 | H182 | 53.2° | 60.0° |
| H171 | C17 | C18 | H181 | 53.1° | 60.0° |
| H171 | C17 | C18 | H182 | 172.4° | 180.0° |
| H211 | C21 | C22 | H221 | 0.1° | 0.1° |
| H221 | C22 | C23 | H231 | 0.2° | 0.1° |
| H231 | C23 | C24 | H241 | 0.2° | 0.1° |
