A1JJA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| C02 | C33 | sing | 1.53Å | 1.44Å | |
| C02 | C03 | sing | 1.53Å | 1.53Å | |
| C02 | C04 | sing | 1.53Å | 1.44Å | |
| C04 | C05 | sing | 1.53Å | 1.53Å | |
| C05 | N06 | sing | 1.47Å | 1.44Å | |
| N06 | C07 | sing | 1.47Å | 1.22Å | |
| N06 | C32 | sing | 1.47Å | 1.44Å | |
| C07 | C08 | sing | 1.51Å | 1.53Å | |
| C08 | C09 | doub | 1.38Å | 1.53Å | Aromatic |
| C08 | C11 | sing | 1.38Å | 1.53Å | Aromatic |
| C09 | C10 | sing | 1.38Å | 1.52Å | Aromatic |
| C10 | C13 | doub | 1.39Å | 1.52Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.53Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.53Å | Aromatic |
| C13 | N14 | sing | 1.40Å | 1.45Å | |
| N14 | C15 | sing | 1.47Å | 1.44Å | |
| N14 | C29 | sing | 1.47Å | 1.44Å | |
| C15 | C16 | sing | 1.53Å | 1.48Å | |
| C16 | C17 | sing | 1.53Å | 1.49Å | |
| C16 | C18 | sing | 1.53Å | 1.49Å | |
| C16 | N28 | sing | 1.46Å | 1.47Å | |
| C17 | N19 | sing | 1.48Å | 1.49Å | |
| C18 | N19 | sing | 1.48Å | 1.49Å | |
| N19 | C20 | sing | 1.39Å | 1.44Å | |
| C20 | C27 | doub | 1.39Å | 1.50Å | Aromatic |
| C20 | N21 | sing | 1.33Å | 1.44Å | Aromatic |
| N21 | C22 | doub | 1.32Å | 1.48Å | Aromatic |
| C22 | N23 | sing | 1.32Å | 1.48Å | Aromatic |
| N23 | C24 | doub | 1.33Å | 1.44Å | Aromatic |
| C24 | N25 | sing | 1.39Å | 1.45Å | |
| C24 | C27 | sing | 1.39Å | 1.49Å | Aromatic |
| N25 | C26 | sing | 1.47Å | 1.45Å | |
| N28 | C30 | sing | 1.34Å | 1.46Å | |
| C29 | C30 | sing | 1.50Å | 1.57Å | |
| C30 | O31 | doub | 1.21Å | 1.19Å | |
| C32 | C33 | sing | 1.53Å | 1.53Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H263 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C03 | H033 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| N25 | H251 | sing | 0.97Å | 1.00Å | |
| N28 | H281 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C33 | 109.3° | 109.6° |
| C01 | C02 | C03 | 109.2° | 109.5° |
| C01 | C02 | C04 | 107.4° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.4° |
| C33 | C02 | C03 | 108.1° | 109.5° |
| C33 | C02 | C04 | 112.4° | 109.2° |
| C02 | C33 | C32 | 114.8° | 109.3° |
| C02 | C33 | H331 | 108.1° | 109.5° |
| C02 | C33 | H332 | 108.1° | 109.5° |
| C03 | C02 | C04 | 110.4° | 109.6° |
| C02 | C03 | H031 | 109.5° | 109.5° |
| C02 | C03 | H032 | 109.5° | 109.5° |
| C02 | C03 | H033 | 109.5° | 109.5° |
| C02 | C04 | C05 | 112.5° | 109.2° |
| C02 | C04 | H041 | 108.7° | 109.5° |
| C02 | C04 | H042 | 108.7° | 109.5° |
| C04 | C05 | N06 | 113.2° | 109.6° |
| C05 | C04 | H041 | 108.7° | 109.6° |
| C05 | C04 | H042 | 108.7° | 109.5° |
| C04 | C05 | H051 | 108.5° | 109.5° |
| C04 | C05 | H052 | 108.5° | 109.5° |
| C05 | N06 | C07 | 106.5° | 111.0° |
| C05 | N06 | C32 | 109.7° | 111.2° |
| N06 | C05 | H051 | 108.5° | 109.5° |
| N06 | C05 | H052 | 108.5° | 109.5° |
| C07 | N06 | C32 | 113.8° | 111.0° |
| N06 | C07 | C08 | 119.9° | 109.5° |
| N06 | C07 | H071 | 106.8° | 109.5° |
| N06 | C07 | H072 | 106.8° | 109.5° |
| N06 | C32 | C33 | 112.1° | 109.5° |
| N06 | C32 | H321 | 108.8° | 109.4° |
| N06 | C32 | H322 | 108.8° | 109.4° |
| C07 | C08 | C09 | 116.4° | 119.9° |
| C07 | C08 | C11 | 123.9° | 119.9° |
| C08 | C07 | H071 | 106.8° | 109.5° |
| C08 | C07 | H072 | 106.8° | 109.5° |
| C09 | C08 | C11 | 119.7° | 120.2° |
| C08 | C09 | C10 | 120.6° | 120.1° |
| C08 | C09 | H091 | 119.7° | 119.9° |
| C08 | C11 | C12 | 119.9° | 120.1° |
| C08 | C11 | H111 | 120.0° | 120.0° |
| C09 | C10 | C13 | 119.8° | 119.9° |
| C09 | C10 | H101 | 120.1° | 120.0° |
| C10 | C09 | H091 | 119.7° | 120.0° |
| C10 | C13 | C12 | 120.2° | 119.9° |
| C10 | C13 | N14 | 116.2° | 120.1° |
| C13 | C10 | H101 | 120.1° | 120.1° |
| C11 | C12 | C13 | 119.7° | 119.9° |
| C12 | C11 | H111 | 120.1° | 119.9° |
| C11 | C12 | H121 | 120.1° | 120.0° |
| C12 | C13 | N14 | 123.6° | 120.0° |
| C13 | C12 | H121 | 120.1° | 120.1° |
| C13 | N14 | C15 | 123.5° | 111.0° |
| C13 | N14 | C29 | 118.4° | 111.0° |
| C15 | N14 | C29 | 113.8° | 110.5° |
| N14 | C15 | C16 | 108.1° | 108.4° |
| N14 | C15 | H151 | 109.8° | 109.7° |
| N14 | C15 | H152 | 109.8° | 109.7° |
| N14 | C29 | C30 | 118.2° | 110.7° |
| N14 | C29 | H291 | 107.3° | 109.2° |
| N14 | C29 | H292 | 107.2° | 109.2° |
| C15 | C16 | C17 | 148.2° | 114.0° |
| C15 | C16 | C18 | 98.4° | 113.9° |
| C15 | C16 | N28 | 111.1° | 113.3° |
| C16 | C15 | H151 | 109.8° | 109.7° |
| C16 | C15 | H152 | 109.8° | 109.7° |
| C17 | C16 | C18 | 89.4° | 84.0° |
| C17 | C16 | N28 | 99.6° | 114.3° |
| C16 | C17 | N19 | 88.6° | 87.8° |
| C16 | C17 | H171 | 114.4° | 113.5° |
| C16 | C17 | H172 | 114.4° | 113.5° |
| C18 | C16 | N28 | 90.4° | 114.2° |
| C16 | C18 | N19 | 88.4° | 87.8° |
| C16 | C18 | H181 | 114.4° | 113.5° |
| C16 | C18 | H182 | 114.4° | 113.5° |
| C16 | N28 | C30 | 109.8° | 121.6° |
| C16 | N28 | H281 | 125.1° | 119.2° |
| C17 | N19 | C18 | 89.3° | 87.9° |
| C17 | N19 | C20 | 131.9° | 111.0° |
| N19 | C17 | H171 | 114.4° | 113.6° |
| N19 | C17 | H172 | 114.4° | 113.5° |
| C18 | N19 | C20 | 134.3° | 111.0° |
| N19 | C18 | H181 | 114.4° | 113.5° |
| N19 | C18 | H182 | 114.4° | 113.5° |
| N19 | C20 | C27 | 120.3° | 120.5° |
| N19 | C20 | N21 | 119.1° | 120.5° |
| C27 | C20 | N21 | 120.6° | 119.1° |
| C20 | C27 | C24 | 119.2° | 118.2° |
| C20 | C27 | H271 | 120.4° | 120.9° |
| C20 | N21 | C22 | 119.8° | 120.9° |
| N21 | C22 | N23 | 120.0° | 122.0° |
| N21 | C22 | H221 | 120.0° | 119.0° |
| C22 | N23 | C24 | 120.8° | 120.8° |
| N23 | C22 | H221 | 120.0° | 119.0° |
| N23 | C24 | N25 | 118.5° | 120.5° |
| N23 | C24 | C27 | 119.6° | 119.1° |
| N25 | C24 | C27 | 121.9° | 120.5° |
| C24 | N25 | C26 | 119.5° | 120.0° |
| C24 | N25 | H251 | 106.9° | 120.0° |
| C24 | C27 | H271 | 120.4° | 120.9° |
| N25 | C26 | H261 | 109.5° | 109.5° |
| N25 | C26 | H262 | 109.4° | 109.5° |
| N25 | C26 | H263 | 109.5° | 109.4° |
| C26 | N25 | H251 | 106.9° | 120.0° |
| N28 | C30 | C29 | 115.7° | 122.4° |
| N28 | C30 | O31 | 123.0° | 118.8° |
| C30 | N28 | H281 | 125.1° | 119.2° |
| C29 | C30 | O31 | 121.3° | 118.8° |
| C30 | C29 | H291 | 107.2° | 109.2° |
| C30 | C29 | H292 | 107.2° | 109.3° |
| C33 | C32 | H321 | 108.8° | 109.5° |
| C33 | C32 | H322 | 108.8° | 109.5° |
| C32 | C33 | H331 | 108.1° | 109.5° |
| C32 | C33 | H332 | 108.1° | 109.5° |
| H151 | C15 | H152 | 109.5° | 109.7° |
| H171 | C17 | H172 | 109.5° | 112.8° |
| H261 | C26 | H262 | 109.4° | 109.5° |
| H261 | C26 | H263 | 109.5° | 109.4° |
| H262 | C26 | H263 | 109.5° | 109.5° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H011 | C01 | H013 | 109.5° | 109.4° |
| H012 | C01 | H013 | 109.4° | 109.5° |
| H031 | C03 | H032 | 109.5° | 109.4° |
| H031 | C03 | H033 | 109.5° | 109.4° |
| H032 | C03 | H033 | 109.5° | 109.5° |
| H041 | C04 | H042 | 109.5° | 109.6° |
| H051 | C05 | H052 | 109.5° | 109.4° |
| H071 | C07 | H072 | 109.5° | 109.5° |
| H181 | C18 | H182 | 109.5° | 112.8° |
| H291 | C29 | H292 | 109.5° | 109.2° |
| H321 | C32 | H322 | 109.5° | 109.5° |
| H331 | C33 | H332 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C33 | C03 | 118.8° | 120.1° |
| C01 | C02 | C33 | C04 | 119.1° | 119.9° |
| C01 | C02 | C03 | C04 | 117.8° | 120.1° |
| C01 | C02 | C04 | C05 | 167.6° | 177.6° |
| C01 | C02 | C33 | C32 | 165.9° | 177.6° |
| C02 | C01 | H011 | H012 | 120.0° | 120.1° |
| C02 | C01 | H011 | H013 | 120.0° | 119.9° |
| C02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C01 | C02 | C03 | H031 | 180.0° | 60.0° |
| C01 | C02 | C03 | H032 | 60.0° | 180.0° |
| C01 | C02 | C03 | H033 | 60.0° | 59.9° |
| C01 | C02 | C04 | H041 | 47.1° | 57.6° |
| C01 | C02 | C04 | H042 | 72.0° | 62.5° |
| C01 | C02 | C33 | H331 | 73.3° | 62.5° |
| C01 | C02 | C33 | H332 | 45.2° | 57.6° |
| C33 | C02 | C03 | C04 | 123.3° | 119.7° |
| C33 | C02 | C04 | C05 | 47.3° | 57.7° |
| C02 | C33 | C32 | N06 | 51.0° | 59.2° |
| C02 | C33 | C32 | H331 | 120.8° | 120.0° |
| C02 | C33 | C32 | H332 | 120.8° | 120.0° |
| C33 | C02 | C01 | H011 | 180.0° | 59.9° |
| C33 | C02 | C01 | H012 | 60.0° | 180.0° |
| C33 | C02 | C01 | H013 | 60.0° | 60.0° |
| C33 | C02 | C03 | H031 | 61.1° | 60.1° |
| C33 | C02 | C03 | H032 | 178.9° | 59.8° |
| C33 | C02 | C03 | H033 | 58.9° | 179.9° |
| C33 | C02 | C04 | H041 | 73.2° | 62.3° |
| C33 | C02 | C04 | H042 | 167.7° | 177.6° |
| C02 | C33 | C32 | H321 | 171.3° | 60.8° |
| C02 | C33 | C32 | H322 | 69.4° | 179.2° |
| C02 | C33 | H331 | H332 | 117.6° | 120.1° |
| C03 | C02 | C04 | C05 | 73.5° | 62.3° |
| C03 | C02 | C33 | C32 | 75.3° | 62.3° |
| C03 | C02 | C01 | H011 | 61.9° | 60.2° |
| C03 | C02 | C01 | H012 | 178.1° | 59.9° |
| C03 | C02 | C01 | H013 | 58.1° | 179.9° |
| C02 | C03 | H031 | H032 | 120.0° | 120.0° |
| C02 | C03 | H031 | H033 | 120.0° | 120.0° |
| C02 | C03 | H032 | H033 | 120.0° | 120.1° |
| C03 | C02 | C04 | H041 | 166.0° | 177.7° |
| C03 | C02 | C04 | H042 | 46.9° | 57.6° |
| C03 | C02 | C33 | H331 | 45.5° | 57.6° |
| C03 | C02 | C33 | H332 | 163.9° | 177.7° |
| C02 | C04 | C05 | H041 | 120.5° | 119.9° |
| C02 | C04 | C05 | H042 | 120.4° | 119.9° |
| C02 | C04 | C05 | N06 | 53.7° | 59.2° |
| C04 | C02 | C33 | C32 | 46.8° | 57.7° |
| C04 | C02 | C01 | H011 | 57.8° | 179.6° |
| C04 | C02 | C01 | H012 | 62.3° | 60.3° |
| C04 | C02 | C01 | H013 | 177.8° | 59.7° |
| C04 | C02 | C03 | H031 | 62.2° | 179.9° |
| C04 | C02 | C03 | H032 | 57.8° | 59.9° |
| C04 | C02 | C03 | H033 | 177.8° | 60.2° |
| C02 | C04 | H041 | H042 | 118.6° | 120.1° |
| C02 | C04 | C05 | H051 | 174.2° | 179.2° |
| C02 | C04 | C05 | H052 | 66.9° | 60.9° |
| C04 | C02 | C33 | H331 | 167.6° | 177.6° |
| C04 | C02 | C33 | H332 | 74.0° | 62.3° |
| C04 | C05 | N06 | H051 | 120.6° | 120.0° |
| C04 | C05 | N06 | H052 | 120.6° | 120.1° |
| C04 | C05 | N06 | C07 | 179.8° | 174.2° |
| C04 | C05 | N06 | C32 | 56.6° | 61.8° |
| C05 | C04 | H041 | H042 | 118.6° | 120.1° |
| C04 | C05 | H051 | H052 | 118.3° | 120.0° |
| C05 | N06 | C07 | C32 | 121.0° | 124.2° |
| C05 | N06 | C07 | C08 | 165.3° | 170.0° |
| C05 | N06 | C32 | C33 | 54.3° | 61.7° |
| N06 | C05 | C04 | H041 | 66.8° | 60.7° |
| N06 | C05 | C04 | H042 | 174.1° | 179.1° |
| N06 | C05 | H051 | H052 | 118.3° | 119.9° |
| C05 | N06 | C07 | H071 | 73.2° | 70.0° |
| C05 | N06 | C07 | H072 | 43.9° | 50.0° |
| C05 | N06 | C32 | H321 | 174.6° | 58.3° |
| C05 | N06 | C32 | H322 | 66.1° | 178.2° |
| N06 | C07 | C08 | H071 | 121.5° | 120.0° |
| N06 | C07 | C08 | H072 | 121.4° | 120.0° |
| N06 | C07 | C08 | C09 | 126.2° | 90.0° |
| N06 | C07 | C08 | C11 | 55.8° | 89.5° |
| C07 | N06 | C32 | C33 | 173.4° | 174.2° |
| C07 | N06 | C05 | H051 | 59.3° | 54.2° |
| C07 | N06 | C05 | H052 | 59.6° | 65.8° |
| N06 | C07 | H071 | H072 | 115.3° | 120.0° |
| C07 | N06 | C32 | H321 | 66.2° | 65.8° |
| C07 | N06 | C32 | H322 | 53.0° | 54.2° |
| C32 | N06 | C07 | C08 | 44.3° | 65.8° |
| N06 | C32 | C33 | H321 | 120.4° | 120.0° |
| N06 | C32 | C33 | H322 | 120.4° | 120.0° |
| C32 | N06 | C05 | H051 | 177.1° | 178.2° |
| C32 | N06 | C05 | H052 | 64.0° | 58.3° |
| C32 | N06 | C07 | H071 | 165.8° | 54.2° |
| C32 | N06 | C07 | H072 | 77.1° | 174.2° |
| N06 | C32 | H321 | H322 | 118.8° | 119.9° |
| N06 | C32 | C33 | H331 | 171.7° | 179.1° |
| N06 | C32 | C33 | H332 | 69.8° | 60.8° |
| C07 | C08 | C09 | C11 | 178.1° | 179.5° |
| C07 | C08 | C09 | C10 | 179.3° | 180.0° |
| C07 | C08 | C11 | C12 | 179.1° | 179.8° |
| C08 | C07 | H071 | H072 | 115.3° | 120.0° |
| C07 | C08 | C09 | H091 | 0.7° | 0.0° |
| C07 | C08 | C11 | H111 | 0.9° | 0.0° |
| C08 | C09 | C10 | H091 | 180.0° | 180.0° |
| C08 | C09 | C10 | C13 | 0.6° | 0.0° |
| C09 | C08 | C11 | C12 | 1.1° | 0.7° |
| C08 | C09 | C10 | H101 | 179.4° | 179.7° |
| C09 | C08 | C07 | H071 | 112.3° | 150.0° |
| C09 | C08 | C07 | H072 | 4.7° | 30.0° |
| C09 | C08 | C11 | H111 | 178.9° | 179.5° |
| C11 | C08 | C09 | C10 | 1.2° | 0.5° |
| C08 | C11 | C12 | H111 | 180.0° | 179.8° |
| C08 | C11 | C12 | C13 | 0.5° | 0.5° |
| C11 | C08 | C07 | H071 | 65.7° | 30.5° |
| C11 | C08 | C07 | H072 | 177.3° | 150.5° |
| C11 | C08 | C09 | H091 | 178.8° | 179.5° |
| C08 | C11 | C12 | H121 | 179.5° | 180.0° |
| C09 | C10 | C13 | H101 | 180.0° | 179.7° |
| C09 | C10 | C13 | C12 | 0.0° | 0.3° |
| C09 | C10 | C13 | N14 | 179.1° | 179.8° |
| C10 | C13 | C12 | C11 | 0.1° | 0.1° |
| C10 | C13 | C12 | N14 | 179.0° | 180.0° |
| C10 | C13 | N14 | C15 | 171.0° | 180.0° |
| C10 | C13 | N14 | C29 | 15.8° | 56.6° |
| C13 | C10 | C09 | H091 | 179.4° | 180.0° |
| C10 | C13 | C12 | H121 | 180.0° | 179.5° |
| C11 | C12 | C13 | H121 | 180.0° | 179.5° |
| C11 | C12 | C13 | N14 | 179.1° | 180.0° |
| C12 | C13 | N14 | C15 | 9.9° | 0.0° |
| C12 | C13 | N14 | C29 | 165.1° | 123.4° |
| C12 | C13 | C10 | H101 | 180.0° | 180.0° |
| C13 | C12 | C11 | H111 | 179.5° | 179.8° |
| C13 | N14 | C15 | C29 | 156.2° | 123.7° |
| C13 | N14 | C15 | C16 | 117.7° | 170.3° |
| C13 | N14 | C29 | C30 | 168.7° | 175.7° |
| N14 | C13 | C10 | H101 | 0.9° | 0.0° |
| C13 | N14 | C15 | H151 | 2.1° | 50.5° |
| C13 | N14 | C15 | H152 | 122.5° | 70.0° |
| N14 | C13 | C12 | H121 | 0.9° | 0.5° |
| C13 | N14 | C29 | H291 | 70.0° | 55.4° |
| C13 | N14 | C29 | H292 | 47.5° | 63.9° |
| N14 | C15 | C16 | H151 | 119.8° | 119.7° |
| N14 | C15 | C16 | H152 | 119.8° | 119.7° |
| N14 | C15 | C16 | C17 | 88.4° | 179.2° |
| N14 | C15 | C16 | C18 | 169.0° | 86.6° |
| N14 | C15 | C16 | N28 | 75.3° | 46.2° |
| C15 | N14 | C29 | C30 | 11.2° | 52.0° |
| N14 | C15 | H151 | H152 | 120.6° | 120.6° |
| C15 | N14 | C29 | H291 | 132.4° | 68.3° |
| C15 | N14 | C29 | H292 | 110.0° | 172.4° |
| C29 | N14 | C15 | C16 | 38.5° | 66.1° |
| N14 | C29 | C30 | N28 | 32.6° | 19.8° |
| N14 | C29 | C30 | H291 | 121.3° | 120.3° |
| N14 | C29 | C30 | H292 | 121.2° | 120.3° |
| N14 | C29 | C30 | O31 | 147.1° | 160.2° |
| C29 | N14 | C15 | H151 | 158.3° | 174.2° |
| C29 | N14 | C15 | H152 | 81.2° | 53.7° |
| N14 | C29 | H291 | H292 | 116.1° | 119.3° |
| C15 | C16 | C17 | C18 | 105.1° | 113.5° |
| C15 | C16 | C17 | N28 | 164.6° | 132.5° |
| C15 | C16 | C18 | N28 | 111.4° | 132.4° |
| C15 | C16 | C17 | N19 | 89.6° | 87.8° |
| C15 | C16 | C18 | N19 | 133.5° | 87.9° |
| C15 | C16 | N28 | C30 | 52.0° | 15.3° |
| C16 | C15 | H151 | H152 | 120.6° | 120.5° |
| C15 | C16 | C17 | H171 | 154.1° | 157.4° |
| C15 | C16 | C17 | H172 | 26.7° | 26.9° |
| C15 | C16 | C18 | H181 | 17.3° | 26.8° |
| C15 | C16 | C18 | H182 | 110.2° | 157.3° |
| C15 | C16 | N28 | H281 | 128.0° | 164.7° |
| C17 | C16 | C18 | N28 | 99.6° | 114.0° |
| C16 | C17 | N19 | H171 | 116.3° | 114.7° |
| C16 | C17 | N19 | H172 | 116.3° | 114.7° |
| C17 | C16 | C18 | N19 | 15.5° | 25.7° |
| C16 | C17 | N19 | C20 | 173.4° | 138.4° |
| C17 | C16 | N28 | C30 | 119.3° | 148.2° |
| C17 | C16 | C15 | H151 | 31.4° | 61.0° |
| C17 | C16 | C15 | H152 | 151.8° | 59.5° |
| C16 | C17 | H171 | H172 | 129.9° | 130.8° |
| C17 | C16 | C18 | H181 | 131.7° | 140.5° |
| C17 | C16 | C18 | H182 | 100.8° | 89.0° |
| C17 | C16 | N28 | H281 | 60.6° | 31.8° |
| C16 | C18 | N19 | H181 | 116.2° | 114.8° |
| C16 | C18 | N19 | H182 | 116.2° | 114.7° |
| C16 | C18 | N19 | C20 | 172.4° | 138.3° |
| C18 | C16 | N28 | C30 | 151.2° | 117.3° |
| C18 | C16 | C15 | H151 | 71.2° | 33.2° |
| C18 | C16 | C15 | H152 | 49.2° | 153.7° |
| C18 | C16 | C17 | H171 | 100.9° | 89.1° |
| C18 | C16 | C17 | H172 | 131.8° | 140.5° |
| C16 | C18 | H181 | H182 | 130.0° | 130.8° |
| C18 | C16 | N28 | H281 | 28.9° | 62.7° |
| N28 | C16 | C17 | N19 | 105.7° | 139.6° |
| N28 | C16 | C18 | N19 | 115.1° | 139.7° |
| C16 | N28 | C30 | H281 | 180.0° | 180.0° |
| C16 | N28 | C30 | C29 | 0.4° | 1.8° |
| C16 | N28 | C30 | O31 | 179.9° | 178.2° |
| N28 | C16 | C15 | H151 | 164.9° | 166.0° |
| N28 | C16 | C15 | H152 | 44.4° | 73.5° |
| N28 | C16 | C17 | H171 | 10.6° | 24.8° |
| N28 | C16 | C17 | H172 | 138.0° | 105.6° |
| N28 | C16 | C18 | H181 | 128.7° | 105.5° |
| N28 | C16 | C18 | H182 | 1.2° | 25.0° |
| C17 | N19 | C18 | C20 | 157.0° | 111.7° |
| C17 | N19 | C20 | C27 | 16.1° | 180.0° |
| C17 | N19 | C20 | N21 | 164.0° | 0.2° |
| N19 | C17 | H171 | H172 | 129.9° | 130.9° |
| C17 | N19 | C18 | H181 | 131.7° | 141.4° |
| C17 | N19 | C18 | H182 | 100.8° | 88.1° |
| C18 | N19 | C20 | C27 | 164.4° | 83.9° |
| C18 | N19 | C20 | N21 | 15.7° | 96.3° |
| C18 | N19 | C17 | H171 | 100.8° | 88.1° |
| C18 | N19 | C17 | H172 | 131.8° | 141.3° |
| N19 | C18 | H181 | H182 | 130.0° | 130.9° |
| N19 | C20 | C27 | N21 | 179.9° | 179.8° |
| N19 | C20 | N21 | C22 | 179.8° | 179.7° |
| N19 | C20 | C27 | C24 | 179.9° | 179.8° |
| C20 | N19 | C17 | H171 | 57.1° | 23.6° |
| C20 | N19 | C17 | H172 | 70.3° | 106.9° |
| C20 | N19 | C18 | H181 | 71.4° | 106.9° |
| C20 | N19 | C18 | H182 | 56.1° | 23.6° |
| N19 | C20 | C27 | H271 | 0.1° | 0.2° |
| C27 | C20 | N21 | C22 | 0.3° | 0.1° |
| C20 | C27 | C24 | N23 | 0.0° | 0.0° |
| C20 | C27 | C24 | N25 | 179.6° | 179.9° |
| C20 | C27 | C24 | H271 | 180.0° | 180.0° |
| C20 | N21 | C22 | N23 | 0.2° | 0.1° |
| N21 | C20 | C27 | C24 | 0.1° | 0.0° |
| C20 | N21 | C22 | H221 | 179.8° | 180.0° |
| N21 | C20 | C27 | H271 | 179.9° | 180.0° |
| N21 | C22 | N23 | H221 | 180.0° | 179.9° |
| N21 | C22 | N23 | C24 | 0.1° | 0.0° |
| C22 | N23 | C24 | N25 | 179.7° | 179.9° |
| C22 | N23 | C24 | C27 | 0.1° | 0.0° |
| N23 | C24 | N25 | C27 | 179.6° | 179.9° |
| N23 | C24 | N25 | C26 | 166.2° | 180.0° |
| C24 | N23 | C22 | H221 | 179.9° | 180.0° |
| N23 | C24 | C27 | H271 | 179.9° | 180.0° |
| N23 | C24 | N25 | H251 | 44.8° | 0.1° |
| C24 | N25 | C26 | H251 | 121.4° | 180.0° |
| C24 | N25 | C26 | H261 | 180.0° | 179.9° |
| C24 | N25 | C26 | H262 | 60.0° | 60.0° |
| C24 | N25 | C26 | H263 | 60.0° | 60.0° |
| N25 | C24 | C27 | H271 | 0.4° | 0.1° |
| C27 | C24 | N25 | C26 | 14.2° | 0.1° |
| C27 | C24 | N25 | H251 | 135.6° | 180.0° |
| N25 | C26 | H261 | H262 | 120.0° | 120.0° |
| N25 | C26 | H261 | H263 | 120.0° | 119.9° |
| N25 | C26 | H262 | H263 | 120.0° | 120.0° |
| N28 | C30 | C29 | O31 | 179.7° | 180.0° |
| N28 | C30 | C29 | H291 | 153.9° | 100.5° |
| N28 | C30 | C29 | H292 | 88.6° | 140.1° |
| C30 | C29 | H291 | H292 | 116.0° | 119.5° |
| C29 | C30 | N28 | H281 | 179.6° | 178.2° |
| O31 | C30 | C29 | H291 | 25.8° | 79.5° |
| O31 | C30 | C29 | H292 | 91.7° | 39.9° |
| O31 | C30 | N28 | H281 | 0.1° | 1.8° |
| C33 | C32 | H321 | H322 | 118.8° | 120.0° |
| C32 | C33 | H331 | H332 | 117.6° | 120.1° |
| H101 | C10 | C09 | H091 | 0.6° | 0.3° |
| H261 | C26 | H262 | H263 | 120.0° | 120.0° |
| H261 | C26 | N25 | H251 | 58.6° | 0.0° |
| H262 | C26 | N25 | H251 | 178.6° | 120.0° |
| H263 | C26 | N25 | H251 | 61.4° | 120.0° |
| H011 | C01 | H012 | H013 | 120.0° | 120.0° |
| H031 | C03 | H032 | H033 | 120.0° | 120.0° |
| H041 | C04 | C05 | H051 | 53.8° | 59.3° |
| H041 | C04 | C05 | H052 | 172.6° | 179.2° |
| H042 | C04 | C05 | H051 | 65.3° | 60.9° |
| H042 | C04 | C05 | H052 | 53.6° | 59.0° |
| H111 | C11 | C12 | H121 | 0.5° | 0.2° |
| H321 | C32 | C33 | H331 | 67.9° | 59.2° |
| H321 | C32 | C33 | H332 | 50.6° | 179.2° |
| H322 | C32 | C33 | H331 | 51.3° | 60.9° |
| H322 | C32 | C33 | H332 | 169.8° | 59.2° |
