A1ALX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O02 | C01 | sing | 1.43Å | 1.38Å | |
| C03 | O02 | sing | 1.36Å | 1.40Å | |
| C04 | C03 | doub | 1.39Å | 1.37Å | Aromatic |
| C05 | C04 | sing | 1.38Å | 1.39Å | Aromatic |
| C06 | C05 | doub | 1.39Å | 1.39Å | Aromatic |
| C08 | C07 | doub | 1.39Å | 1.39Å | Aromatic |
| C09 | C08 | sing | 1.38Å | 1.42Å | Aromatic |
| C13 | N12 | sing | 1.46Å | 1.45Å | |
| C15 | C14 | sing | 1.53Å | 1.56Å | |
| C16 | C15 | sing | 1.53Å | 1.56Å | |
| C17 | C15 | sing | 1.53Å | 1.51Å | |
| C14 | C13 | sing | 1.53Å | 1.54Å | |
| C18 | C13 | sing | 1.51Å | 1.53Å | |
| C20 | N19 | sing | 1.47Å | 1.49Å | |
| C22 | C21 | sing | 1.53Å | 1.63Å | |
| C23 | C22 | sing | 1.51Å | 1.62Å | |
| C25 | N24 | sing | 1.47Å | 1.31Å | |
| C26 | C25 | sing | 1.54Å | 1.71Å | |
| N24 | C23 | sing | 1.34Å | 1.59Å | |
| O27 | C23 | doub | 1.21Å | 1.18Å | |
| C21 | C20 | sing | 1.53Å | 1.56Å | |
| C28 | C20 | sing | 1.51Å | 1.47Å | |
| N29 | C28 | doub | 1.28Å | 1.22Å | |
| N19 | C18 | sing | 1.35Å | 1.49Å | |
| O30 | C18 | doub | 1.21Å | 1.20Å | |
| N12 | C11 | sing | 1.35Å | 1.46Å | |
| O31 | C11 | doub | 1.22Å | 1.17Å | |
| C11 | C10 | sing | 1.48Å | 1.56Å | |
| C32 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
| C33 | C32 | doub | 1.38Å | 1.42Å | Aromatic |
| C10 | C09 | doub | 1.40Å | 1.39Å | Aromatic |
| CL34 | C09 | sing | 1.74Å | 1.80Å | |
| C07 | C06 | sing | 1.48Å | 1.57Å | |
| C35 | C06 | sing | 1.39Å | 1.37Å | Aromatic |
| C36 | C35 | doub | 1.38Å | 1.38Å | Aromatic |
| C03 | C36 | sing | 1.39Å | 1.39Å | Aromatic |
| C07 | C33 | sing | 1.40Å | 1.39Å | Aromatic |
| C22 | C26 | sing | 1.55Å | 1.28Å | |
| N12 | H121 | sing | 0.97Å | 1.00Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H173 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.08Å | 1.08Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H163 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| C35 | H351 | sing | 1.08Å | 1.08Å | |
| C36 | H361 | sing | 1.08Å | 1.08Å | |
| N19 | H191 | sing | 0.97Å | 1.00Å | |
| N24 | H241 | sing | 0.97Å | 1.00Å | |
| N29 | H291 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | O02 | C03 | 114.6° | 117.0° |
| O02 | C01 | H013 | 109.5° | 109.5° |
| O02 | C01 | H011 | 109.4° | 109.5° |
| O02 | C01 | H012 | 109.4° | 109.4° |
| O02 | C03 | C04 | 120.0° | 119.9° |
| O02 | C03 | C36 | 120.2° | 120.0° |
| C03 | C04 | C05 | 120.3° | 120.0° |
| C04 | C03 | C36 | 119.8° | 120.1° |
| C03 | C04 | H041 | 119.9° | 120.0° |
| C04 | C05 | C06 | 119.7° | 119.9° |
| C05 | C04 | H041 | 119.8° | 120.0° |
| C04 | C05 | H051 | 120.2° | 120.0° |
| C05 | C06 | C07 | 121.5° | 120.1° |
| C05 | C06 | C35 | 120.1° | 119.9° |
| C06 | C05 | H051 | 120.1° | 120.1° |
| C07 | C08 | C09 | 120.3° | 120.0° |
| C08 | C07 | C06 | 119.9° | 120.0° |
| C08 | C07 | C33 | 120.0° | 120.1° |
| C07 | C08 | H081 | 119.8° | 120.0° |
| C08 | C09 | C10 | 119.6° | 120.0° |
| C08 | C09 | CL34 | 119.4° | 120.0° |
| C09 | C08 | H081 | 119.9° | 120.0° |
| N12 | C13 | C14 | 107.0° | 109.5° |
| N12 | C13 | C18 | 113.5° | 109.5° |
| C13 | N12 | C11 | 121.1° | 120.0° |
| C13 | N12 | H121 | 119.4° | 120.0° |
| N12 | C13 | H131 | 109.1° | 109.5° |
| C14 | C15 | C16 | 110.1° | 109.4° |
| C14 | C15 | C17 | 111.9° | 109.5° |
| C15 | C14 | C13 | 109.5° | 109.5° |
| C14 | C15 | H151 | 107.7° | 109.5° |
| C15 | C14 | H141 | 109.5° | 109.5° |
| C15 | C14 | H142 | 109.5° | 109.5° |
| C16 | C15 | C17 | 111.2° | 109.5° |
| C16 | C15 | H151 | 107.6° | 109.5° |
| C15 | C16 | H162 | 109.5° | 109.4° |
| C15 | C16 | H163 | 109.5° | 109.4° |
| C15 | C16 | H161 | 109.5° | 109.5° |
| C17 | C15 | H151 | 108.2° | 109.5° |
| C15 | C17 | H172 | 109.5° | 109.4° |
| C15 | C17 | H171 | 109.5° | 109.5° |
| C15 | C17 | H173 | 109.5° | 109.5° |
| C14 | C13 | C18 | 111.2° | 109.5° |
| C14 | C13 | H131 | 107.9° | 109.4° |
| C13 | C14 | H141 | 109.5° | 109.5° |
| C13 | C14 | H142 | 109.5° | 109.4° |
| C13 | C18 | N19 | 118.3° | 120.0° |
| C13 | C18 | O30 | 120.5° | 120.0° |
| C18 | C13 | H131 | 108.0° | 109.5° |
| N19 | C20 | C21 | 110.3° | 109.5° |
| N19 | C20 | C28 | 108.3° | 109.5° |
| C20 | N19 | C18 | 122.4° | 120.0° |
| N19 | C20 | H201 | 109.9° | 109.5° |
| C20 | N19 | H191 | 118.8° | 120.0° |
| C21 | C22 | C23 | 110.4° | 110.5° |
| C22 | C21 | C20 | 112.7° | 109.5° |
| C21 | C22 | C26 | 111.0° | 110.5° |
| C22 | C21 | H212 | 108.7° | 109.5° |
| C22 | C21 | H211 | 108.7° | 109.5° |
| C21 | C22 | H221 | 107.7° | 110.5° |
| C22 | C23 | N24 | 106.7° | 110.2° |
| C22 | C23 | O27 | 126.5° | 124.9° |
| C23 | C22 | C26 | 107.0° | 104.1° |
| C23 | C22 | H221 | 107.9° | 110.6° |
| N24 | C25 | C26 | 109.2° | 105.5° |
| C25 | N24 | C23 | 106.5° | 111.3° |
| N24 | C25 | H251 | 109.5° | 110.3° |
| N24 | C25 | H252 | 109.5° | 110.2° |
| C25 | N24 | H241 | 126.7° | 124.3° |
| C25 | C26 | C22 | 108.8° | 101.8° |
| C25 | C26 | H261 | 109.6° | 111.0° |
| C25 | C26 | H262 | 109.6° | 111.0° |
| C26 | C25 | H251 | 109.5° | 110.2° |
| C26 | C25 | H252 | 109.5° | 110.2° |
| N24 | C23 | O27 | 126.8° | 125.0° |
| C23 | N24 | H241 | 126.8° | 124.4° |
| C21 | C20 | C28 | 109.1° | 109.5° |
| C21 | C20 | H201 | 109.0° | 109.5° |
| C20 | C21 | H212 | 108.7° | 109.5° |
| C20 | C21 | H211 | 108.7° | 109.5° |
| C20 | C28 | N29 | 121.0° | 120.0° |
| C28 | C20 | H201 | 110.2° | 109.5° |
| C20 | C28 | H281 | 119.5° | 120.0° |
| N29 | C28 | H281 | 119.5° | 120.1° |
| C28 | N29 | H291 | 112.0° | 119.9° |
| N19 | C18 | O30 | 121.1° | 120.0° |
| C18 | N19 | H191 | 118.8° | 120.0° |
| N12 | C11 | O31 | 120.1° | 120.0° |
| N12 | C11 | C10 | 120.0° | 120.0° |
| C11 | N12 | H121 | 119.5° | 120.0° |
| O31 | C11 | C10 | 119.9° | 120.0° |
| C11 | C10 | C32 | 118.1° | 120.1° |
| C11 | C10 | C09 | 121.8° | 120.1° |
| C10 | C32 | C33 | 120.2° | 120.0° |
| C32 | C10 | C09 | 120.1° | 119.9° |
| C10 | C32 | H321 | 119.9° | 120.0° |
| C32 | C33 | C07 | 119.7° | 120.1° |
| C33 | C32 | H321 | 119.9° | 120.0° |
| C32 | C33 | H331 | 120.2° | 119.9° |
| C10 | C09 | CL34 | 121.1° | 120.0° |
| C07 | C06 | C35 | 118.4° | 120.1° |
| C06 | C07 | C33 | 120.1° | 120.0° |
| C06 | C35 | C36 | 120.1° | 119.9° |
| C06 | C35 | H351 | 119.9° | 120.1° |
| C35 | C36 | C03 | 120.0° | 120.1° |
| C36 | C35 | H351 | 119.9° | 120.0° |
| C35 | C36 | H361 | 120.0° | 120.0° |
| C03 | C36 | H361 | 120.0° | 119.9° |
| C07 | C33 | H331 | 120.1° | 120.0° |
| C26 | C22 | H221 | 112.8° | 110.5° |
| C22 | C26 | H261 | 109.7° | 111.0° |
| C22 | C26 | H262 | 109.6° | 110.9° |
| H172 | C17 | H171 | 109.5° | 109.5° |
| H172 | C17 | H173 | 109.5° | 109.5° |
| H171 | C17 | H173 | 109.5° | 109.4° |
| H212 | C21 | H211 | 109.4° | 109.5° |
| H261 | C26 | H262 | 109.5° | 110.9° |
| H013 | C01 | H011 | 109.5° | 109.5° |
| H013 | C01 | H012 | 109.5° | 109.5° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H162 | C16 | H163 | 109.5° | 109.5° |
| H162 | C16 | H161 | 109.5° | 109.5° |
| H163 | C16 | H161 | 109.4° | 109.5° |
| H251 | C25 | H252 | 109.5° | 110.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | O02 | C03 | C04 | 178.2° | 0.2° |
| C01 | O02 | C03 | C36 | 1.7° | 180.0° |
| O02 | C01 | H013 | H011 | 120.0° | 120.0° |
| O02 | C01 | H013 | H012 | 120.0° | 119.9° |
| O02 | C01 | H011 | H012 | 120.0° | 119.9° |
| O02 | C03 | C04 | C36 | 179.9° | 179.8° |
| O02 | C03 | C04 | C05 | 179.9° | 180.0° |
| O02 | C03 | C36 | C35 | 180.0° | 179.7° |
| C03 | O02 | C01 | H013 | 180.0° | 60.0° |
| C03 | O02 | C01 | H011 | 60.0° | 60.0° |
| C03 | O02 | C01 | H012 | 60.0° | 180.0° |
| O02 | C03 | C04 | H041 | 0.1° | 0.1° |
| O02 | C03 | C36 | H361 | 0.0° | 0.1° |
| C03 | C04 | C05 | H041 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 0.4° | 0.0° |
| C04 | C03 | C36 | C35 | 0.1° | 0.5° |
| C03 | C04 | C05 | H051 | 179.6° | 180.0° |
| C04 | C03 | C36 | H361 | 179.9° | 179.7° |
| C04 | C05 | C06 | H051 | 180.0° | 180.0° |
| C04 | C05 | C06 | C07 | 179.7° | 180.0° |
| C04 | C05 | C06 | C35 | 0.6° | 0.0° |
| C05 | C04 | C03 | C36 | 0.1° | 0.2° |
| C05 | C06 | C07 | C08 | 139.9° | 0.2° |
| C05 | C06 | C07 | C35 | 179.1° | 179.9° |
| C05 | C06 | C35 | C36 | 0.5° | 0.3° |
| C05 | C06 | C07 | C33 | 41.0° | 180.0° |
| C06 | C05 | C04 | H041 | 179.6° | 180.0° |
| C05 | C06 | C35 | H351 | 179.4° | 180.0° |
| C07 | C08 | C09 | H081 | 180.0° | 179.8° |
| C08 | C07 | C33 | C32 | 0.3° | 0.3° |
| C07 | C08 | C09 | C10 | 0.2° | 0.4° |
| C07 | C08 | C09 | CL34 | 179.8° | 179.5° |
| C08 | C07 | C06 | C33 | 179.1° | 179.8° |
| C08 | C07 | C06 | C35 | 41.0° | 179.7° |
| C08 | C07 | C33 | H331 | 179.7° | 180.0° |
| C08 | C09 | C10 | C11 | 179.3° | 180.0° |
| C08 | C09 | C10 | C32 | 0.8° | 0.2° |
| C08 | C09 | C10 | CL34 | 179.6° | 179.9° |
| C09 | C08 | C07 | C06 | 179.4° | 179.8° |
| C09 | C08 | C07 | C33 | 0.3° | 0.5° |
| N12 | C13 | C14 | C15 | 58.2° | 174.4° |
| N12 | C13 | C14 | C18 | 124.4° | 120.1° |
| N12 | C13 | C14 | H131 | 117.3° | 120.0° |
| N12 | C13 | C18 | H131 | 121.1° | 120.1° |
| N12 | C13 | C18 | N19 | 140.7° | 160.4° |
| N12 | C13 | C18 | O30 | 39.0° | 19.6° |
| C13 | N12 | C11 | H121 | 180.0° | 179.9° |
| C13 | N12 | C11 | O31 | 0.2° | 5.1° |
| C13 | N12 | C11 | C10 | 178.3° | 175.0° |
| N12 | C13 | C14 | H141 | 178.2° | 54.4° |
| N12 | C13 | C14 | H142 | 61.8° | 65.6° |
| C14 | C15 | C16 | C17 | 124.6° | 120.0° |
| C14 | C15 | C16 | H151 | 117.1° | 120.0° |
| C14 | C15 | C17 | H151 | 118.5° | 120.0° |
| C15 | C14 | C13 | H141 | 120.0° | 120.1° |
| C15 | C14 | C13 | H142 | 120.0° | 120.0° |
| C15 | C14 | C13 | C18 | 177.4° | 65.5° |
| C15 | C14 | C13 | H131 | 59.2° | 54.4° |
| C14 | C15 | C17 | H172 | 180.0° | 60.0° |
| C14 | C15 | C17 | H171 | 60.0° | 179.9° |
| C14 | C15 | C17 | H173 | 60.0° | 60.0° |
| C15 | C14 | H141 | H142 | 120.0° | 120.0° |
| C14 | C15 | C16 | H162 | 180.0° | 175.9° |
| C14 | C15 | C16 | H163 | 60.0° | 56.0° |
| C14 | C15 | C16 | H161 | 60.0° | 64.0° |
| C16 | C15 | C17 | H151 | 117.9° | 120.0° |
| C16 | C15 | C14 | C13 | 70.5° | 67.0° |
| C16 | C15 | C17 | H172 | 56.4° | 180.0° |
| C16 | C15 | C17 | H171 | 176.4° | 60.0° |
| C16 | C15 | C17 | H173 | 63.6° | 60.0° |
| C16 | C15 | C14 | H141 | 49.5° | 53.0° |
| C16 | C15 | C14 | H142 | 169.5° | 173.0° |
| C15 | C16 | H162 | H163 | 120.0° | 119.9° |
| C15 | C16 | H162 | H161 | 120.0° | 120.0° |
| C15 | C16 | H163 | H161 | 120.0° | 120.0° |
| C17 | C15 | C14 | C13 | 165.3° | 173.0° |
| C15 | C17 | H172 | H171 | 120.0° | 120.0° |
| C15 | C17 | H172 | H173 | 120.0° | 120.0° |
| C15 | C17 | H171 | H173 | 120.0° | 120.0° |
| C17 | C15 | C14 | H141 | 74.8° | 66.9° |
| C17 | C15 | C14 | H142 | 45.3° | 53.1° |
| C17 | C15 | C16 | H162 | 55.4° | 64.1° |
| C17 | C15 | C16 | H163 | 64.7° | 175.9° |
| C17 | C15 | C16 | H161 | 175.4° | 55.9° |
| C14 | C13 | C18 | H131 | 118.2° | 119.9° |
| C14 | C13 | C18 | N19 | 98.7° | 79.6° |
| C14 | C13 | C18 | O30 | 81.6° | 100.5° |
| C14 | C13 | N12 | C11 | 178.8° | 88.6° |
| C14 | C13 | N12 | H121 | 1.2° | 91.4° |
| C13 | C14 | C15 | H151 | 46.5° | 53.0° |
| C13 | C14 | H141 | H142 | 120.0° | 119.9° |
| C13 | C18 | N19 | C20 | 179.8° | 175.2° |
| C13 | C18 | N19 | O30 | 179.7° | 180.0° |
| C18 | C13 | N12 | C11 | 58.2° | 151.3° |
| C18 | C13 | N12 | H121 | 121.8° | 28.6° |
| C18 | C13 | C14 | H141 | 57.4° | 174.4° |
| C18 | C13 | C14 | H142 | 62.6° | 54.5° |
| C13 | C18 | N19 | H191 | 0.2° | 4.8° |
| N19 | C20 | C21 | C22 | 52.1° | 63.8° |
| N19 | C20 | C21 | C28 | 118.9° | 120.0° |
| N19 | C20 | C21 | H201 | 120.8° | 120.0° |
| N19 | C20 | C28 | H201 | 120.3° | 120.0° |
| N19 | C20 | C28 | N29 | 150.5° | 0.0° |
| C20 | N19 | C18 | H191 | 180.0° | 180.0° |
| C20 | N19 | C18 | O30 | 0.5° | 4.8° |
| N19 | C20 | C21 | H212 | 172.6° | 56.2° |
| N19 | C20 | C21 | H211 | 68.4° | 176.3° |
| N19 | C20 | C28 | H281 | 29.5° | 180.0° |
| C21 | C22 | C23 | C26 | 120.9° | 118.7° |
| C21 | C22 | C23 | H221 | 117.5° | 122.6° |
| C21 | C22 | C26 | C25 | 107.8° | 143.5° |
| C21 | C22 | C23 | N24 | 112.1° | 134.9° |
| C21 | C22 | C23 | O27 | 68.3° | 45.1° |
| C22 | C21 | C20 | H212 | 120.5° | 120.0° |
| C22 | C21 | C20 | H211 | 120.5° | 120.0° |
| C22 | C21 | C20 | C28 | 171.0° | 176.3° |
| C21 | C22 | C26 | H221 | 121.0° | 122.6° |
| C22 | C21 | C20 | H201 | 68.7° | 56.2° |
| C22 | C21 | H212 | H211 | 118.5° | 120.0° |
| C21 | C22 | C26 | H261 | 132.3° | 25.4° |
| C21 | C22 | C26 | H262 | 12.1° | 98.4° |
| C22 | C23 | N24 | C25 | 0.5° | 0.4° |
| C23 | C22 | C26 | C25 | 12.7° | 24.8° |
| C22 | C23 | N24 | O27 | 179.7° | 179.9° |
| C23 | C22 | C21 | C20 | 169.9° | 179.8° |
| C23 | C22 | C26 | H221 | 118.5° | 118.8° |
| C23 | C22 | C21 | H212 | 69.6° | 59.8° |
| C23 | C22 | C21 | H211 | 49.4° | 60.2° |
| C23 | C22 | C26 | H261 | 107.2° | 93.3° |
| C23 | C22 | C26 | H262 | 132.6° | 142.9° |
| C22 | C23 | N24 | H241 | 179.5° | 179.7° |
| N24 | C25 | C26 | H251 | 120.0° | 119.0° |
| N24 | C25 | C26 | H252 | 120.0° | 119.0° |
| C25 | N24 | C23 | H241 | 180.0° | 179.9° |
| C25 | N24 | C23 | O27 | 179.9° | 179.5° |
| N24 | C25 | C26 | C22 | 14.2° | 25.4° |
| N24 | C25 | C26 | H261 | 105.8° | 92.7° |
| N24 | C25 | C26 | H262 | 134.1° | 143.5° |
| N24 | C25 | H251 | H252 | 120.1° | 122.0° |
| C26 | C25 | N24 | C23 | 7.4° | 17.0° |
| C25 | C26 | C22 | H261 | 119.9° | 118.1° |
| C25 | C26 | C22 | H262 | 119.9° | 118.1° |
| C25 | C26 | C22 | H221 | 131.2° | 94.0° |
| C25 | C26 | H261 | H262 | 120.3° | 123.8° |
| C26 | C25 | H251 | H252 | 120.1° | 121.9° |
| C26 | C25 | N24 | H241 | 172.6° | 163.0° |
| N24 | C23 | C22 | C26 | 8.9° | 16.2° |
| N24 | C23 | C22 | H221 | 130.5° | 102.4° |
| C23 | N24 | C25 | H251 | 127.3° | 136.0° |
| C23 | N24 | C25 | H252 | 112.6° | 101.9° |
| O27 | C23 | C22 | C26 | 170.8° | 163.8° |
| O27 | C23 | C22 | H221 | 49.2° | 77.5° |
| O27 | C23 | N24 | H241 | 0.1° | 0.4° |
| C21 | C20 | C28 | H201 | 119.6° | 120.0° |
| C21 | C20 | C28 | N29 | 89.4° | 120.0° |
| C21 | C20 | N19 | C18 | 105.1° | 157.9° |
| C20 | C21 | C22 | C26 | 71.6° | 65.5° |
| C20 | C21 | H212 | H211 | 118.5° | 120.0° |
| C20 | C21 | C22 | H221 | 52.4° | 57.1° |
| C21 | C20 | C28 | H281 | 90.6° | 60.0° |
| C21 | C20 | N19 | H191 | 74.9° | 22.1° |
| C20 | C28 | N29 | H281 | 180.0° | 180.0° |
| C28 | C20 | N19 | C18 | 135.5° | 82.1° |
| C28 | C20 | C21 | H212 | 68.5° | 63.7° |
| C28 | C20 | C21 | H211 | 50.5° | 56.3° |
| C28 | C20 | N19 | H191 | 44.5° | 97.9° |
| C20 | C28 | N29 | H291 | 180.0° | 180.0° |
| N29 | C28 | C20 | H201 | 30.2° | 120.0° |
| N19 | C18 | C13 | H131 | 19.6° | 40.3° |
| C18 | N19 | C20 | H201 | 15.1° | 37.9° |
| O30 | C18 | C13 | H131 | 160.1° | 139.6° |
| O30 | C18 | N19 | H191 | 179.5° | 175.2° |
| N12 | C11 | O31 | C10 | 178.2° | 179.9° |
| N12 | C11 | C10 | C32 | 48.1° | 0.2° |
| N12 | C11 | C10 | C09 | 133.4° | 180.0° |
| C11 | N12 | C13 | H131 | 62.3° | 31.3° |
| O31 | C11 | C10 | C32 | 130.1° | 179.7° |
| O31 | C11 | C10 | C09 | 48.4° | 0.1° |
| O31 | C11 | N12 | H121 | 179.9° | 175.0° |
| C11 | C10 | C32 | C09 | 178.6° | 179.8° |
| C11 | C10 | C32 | C33 | 179.4° | 179.8° |
| C11 | C10 | C09 | CL34 | 1.2° | 0.1° |
| C10 | C11 | N12 | H121 | 1.7° | 5.0° |
| C11 | C10 | C32 | H321 | 0.6° | 0.3° |
| C10 | C32 | C33 | H321 | 180.0° | 179.9° |
| C32 | C10 | C09 | CL34 | 179.7° | 179.7° |
| C10 | C32 | C33 | C07 | 0.2° | 0.1° |
| C10 | C32 | C33 | H331 | 179.8° | 179.7° |
| C33 | C32 | C10 | C09 | 0.8° | 0.0° |
| C32 | C33 | C07 | C06 | 179.4° | 180.0° |
| C32 | C33 | C07 | H331 | 180.0° | 179.7° |
| C10 | C09 | C08 | H081 | 179.8° | 179.7° |
| C09 | C10 | C32 | H321 | 179.2° | 179.9° |
| CL34 | C09 | C08 | H081 | 0.2° | 0.4° |
| C07 | C06 | C35 | C36 | 179.7° | 179.7° |
| C07 | C06 | C05 | H051 | 0.3° | 0.0° |
| C06 | C07 | C08 | H081 | 0.6° | 0.1° |
| C06 | C07 | C33 | H331 | 0.6° | 0.3° |
| C07 | C06 | C35 | H351 | 0.3° | 0.1° |
| C06 | C35 | C36 | H351 | 180.0° | 179.6° |
| C06 | C35 | C36 | C03 | 0.3° | 0.6° |
| C35 | C06 | C07 | C33 | 138.2° | 0.0° |
| C35 | C06 | C05 | H051 | 179.4° | 179.9° |
| C06 | C35 | C36 | H361 | 179.7° | 179.6° |
| C35 | C36 | C03 | H361 | 180.0° | 179.8° |
| C36 | C03 | C04 | H041 | 179.9° | 179.7° |
| C03 | C36 | C35 | H351 | 179.7° | 179.8° |
| C33 | C07 | C08 | H081 | 179.7° | 179.7° |
| C07 | C33 | C32 | H321 | 179.8° | 180.0° |
| C26 | C22 | C21 | H212 | 48.9° | 174.5° |
| C26 | C22 | C21 | H211 | 168.0° | 54.5° |
| C22 | C26 | H261 | H262 | 120.3° | 123.8° |
| C22 | C26 | C25 | H251 | 134.1° | 144.4° |
| C22 | C26 | C25 | H252 | 105.8° | 93.6° |
| H121 | N12 | C13 | H131 | 117.7° | 148.6° |
| H131 | C13 | C14 | H141 | 60.8° | 65.6° |
| H131 | C13 | C14 | H142 | 179.1° | 174.4° |
| H151 | C15 | C17 | H172 | 61.5° | 60.0° |
| H151 | C15 | C17 | H171 | 58.5° | 60.0° |
| H151 | C15 | C17 | H173 | 178.5° | 180.0° |
| H151 | C15 | C14 | H141 | 166.5° | 173.0° |
| H151 | C15 | C14 | H142 | 73.5° | 67.0° |
| H151 | C15 | C16 | H162 | 62.9° | 55.9° |
| H151 | C15 | C16 | H163 | 177.0° | 64.0° |
| H151 | C15 | C16 | H161 | 57.1° | 176.0° |
| H172 | C17 | H171 | H173 | 120.0° | 120.0° |
| H201 | C20 | C21 | H212 | 51.8° | 176.2° |
| H201 | C20 | C21 | H211 | 170.8° | 63.7° |
| H201 | C20 | C28 | H281 | 149.8° | 60.1° |
| H201 | C20 | N19 | H191 | 164.9° | 142.1° |
| H212 | C21 | C22 | H221 | 172.9° | 62.9° |
| H211 | C21 | C22 | H221 | 68.1° | 177.1° |
| H221 | C22 | C26 | H261 | 11.3° | 147.9° |
| H221 | C22 | C26 | H262 | 108.9° | 24.1° |
| H261 | C26 | C25 | H251 | 14.2° | 26.3° |
| H261 | C26 | C25 | H252 | 134.3° | 148.3° |
| H262 | C26 | C25 | H251 | 106.0° | 97.5° |
| H262 | C26 | C25 | H252 | 14.1° | 24.5° |
| H281 | C28 | N29 | H291 | 0.0° | 0.0° |
| H013 | C01 | H011 | H012 | 120.0° | 120.0° |
| H041 | C04 | C05 | H051 | 0.4° | 0.1° |
| H162 | C16 | H163 | H161 | 120.0° | 120.1° |
| H251 | C25 | N24 | H241 | 52.7° | 44.1° |
| H252 | C25 | N24 | H241 | 67.4° | 78.0° |
| H321 | C32 | C33 | H331 | 0.2° | 0.4° |
| H351 | C35 | C36 | H361 | 0.3° | 0.0° |
