A1ALU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O02 | C01 | sing | 1.43Å | 1.41Å | |
| C03 | O02 | sing | 1.36Å | 1.43Å | |
| C04 | C03 | doub | 1.39Å | 1.39Å | Aromatic |
| C05 | C04 | sing | 1.38Å | 1.41Å | Aromatic |
| C06 | C05 | doub | 1.40Å | 1.40Å | Aromatic |
| C08 | C07 | doub | 1.38Å | 1.40Å | Aromatic |
| C07 | C06 | sing | 1.39Å | 1.39Å | Aromatic |
| C09 | C06 | sing | 1.48Å | 1.57Å | |
| C10 | C09 | doub | 1.40Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.41Å | Aromatic |
| C12 | C11 | doub | 1.40Å | 1.39Å | Aromatic |
| C15 | N14 | sing | 1.47Å | 1.46Å | |
| C17 | C16 | sing | 1.53Å | 1.57Å | |
| C18 | C17 | sing | 1.53Å | 1.55Å | |
| C19 | C17 | sing | 1.53Å | 1.53Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C20 | C15 | sing | 1.51Å | 1.54Å | |
| C22 | N21 | sing | 1.46Å | 1.47Å | |
| C24 | C23 | sing | 1.53Å | 1.48Å | |
| C25 | C24 | sing | 1.51Å | 1.60Å | |
| C27 | N26 | sing | 1.47Å | 1.58Å | |
| C28 | C27 | sing | 1.54Å | 1.37Å | |
| N26 | C25 | sing | 1.34Å | 1.35Å | |
| O29 | C25 | doub | 1.21Å | 1.19Å | |
| C23 | C22 | sing | 1.53Å | 1.55Å | |
| C30 | C22 | sing | 1.51Å | 1.51Å | |
| N31 | C30 | doub | 1.28Å | 1.26Å | |
| N21 | C20 | sing | 1.35Å | 1.47Å | |
| O32 | C20 | doub | 1.21Å | 1.18Å | |
| N14 | C13 | sing | 1.35Å | 1.50Å | |
| O33 | C13 | doub | 1.22Å | 1.19Å | |
| C13 | C12 | sing | 1.48Å | 1.53Å | |
| C34 | C12 | sing | 1.40Å | 1.41Å | Aromatic |
| C35 | C34 | doub | 1.38Å | 1.39Å | Aromatic |
| F36 | C34 | sing | 1.35Å | 1.38Å | |
| C03 | C08 | sing | 1.39Å | 1.40Å | Aromatic |
| C09 | C35 | sing | 1.39Å | 1.41Å | Aromatic |
| C24 | C28 | sing | 1.55Å | 1.52Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | 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 | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C19 | H193 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| C35 | H351 | sing | 1.08Å | 1.08Å | |
| N14 | H141 | sing | 0.97Å | 1.00Å | |
| N21 | H211 | sing | 0.97Å | 1.00Å | |
| N26 | H261 | sing | 0.97Å | 1.00Å | |
| N31 | H311 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | O02 | C03 | 114.0° | 117.0° |
| O02 | C01 | H011 | 109.5° | 109.5° |
| O02 | C01 | H013 | 109.4° | 109.4° |
| O02 | C01 | H012 | 109.5° | 109.5° |
| O02 | C03 | C04 | 120.7° | 119.9° |
| O02 | C03 | C08 | 119.4° | 120.0° |
| C03 | C04 | C05 | 120.2° | 120.1° |
| C04 | C03 | C08 | 119.9° | 120.1° |
| C03 | C04 | H041 | 119.9° | 120.0° |
| C04 | C05 | C06 | 119.7° | 119.9° |
| C05 | C04 | H041 | 119.9° | 120.0° |
| C04 | C05 | H051 | 120.1° | 120.1° |
| C05 | C06 | C07 | 119.9° | 119.8° |
| C05 | C06 | C09 | 121.5° | 120.1° |
| C06 | C05 | H051 | 120.2° | 120.0° |
| C08 | C07 | C06 | 120.4° | 119.9° |
| C07 | C08 | C03 | 119.9° | 120.1° |
| C08 | C07 | H071 | 119.8° | 120.1° |
| C07 | C08 | H081 | 120.1° | 120.0° |
| C07 | C06 | C09 | 118.6° | 120.0° |
| C06 | C07 | H071 | 119.8° | 120.0° |
| C06 | C09 | C10 | 120.2° | 120.0° |
| C06 | C09 | C35 | 119.9° | 119.9° |
| C09 | C10 | C11 | 119.9° | 120.1° |
| C10 | C09 | C35 | 120.0° | 120.1° |
| C09 | C10 | H101 | 120.1° | 120.0° |
| C10 | C11 | C12 | 120.0° | 119.9° |
| C11 | C10 | H101 | 120.0° | 119.9° |
| C10 | C11 | H111 | 120.0° | 120.1° |
| C11 | C12 | C13 | 119.3° | 120.0° |
| C11 | C12 | C34 | 120.1° | 119.9° |
| C12 | C11 | H111 | 120.0° | 120.0° |
| N14 | C15 | C16 | 108.6° | 109.4° |
| N14 | C15 | C20 | 112.9° | 109.5° |
| C15 | N14 | C13 | 120.9° | 120.0° |
| N14 | C15 | H151 | 108.8° | 109.5° |
| C15 | N14 | H141 | 119.5° | 120.0° |
| C16 | C17 | C18 | 110.7° | 109.5° |
| C16 | C17 | C19 | 111.1° | 109.5° |
| C17 | C16 | C15 | 110.9° | 109.4° |
| C16 | C17 | H171 | 107.9° | 109.5° |
| C17 | C16 | H162 | 109.1° | 109.5° |
| C17 | C16 | H161 | 109.1° | 109.5° |
| C18 | C17 | C19 | 110.4° | 109.5° |
| C18 | C17 | H171 | 108.2° | 109.5° |
| C17 | C18 | H183 | 109.5° | 109.5° |
| C17 | C18 | H182 | 109.4° | 109.4° |
| C17 | C18 | H181 | 109.5° | 109.5° |
| C19 | C17 | H171 | 108.4° | 109.4° |
| C17 | C19 | H193 | 109.5° | 109.4° |
| C17 | C19 | H191 | 109.5° | 109.4° |
| C17 | C19 | H192 | 109.5° | 109.4° |
| C16 | C15 | C20 | 110.7° | 109.5° |
| C16 | C15 | H151 | 107.9° | 109.5° |
| C15 | C16 | H162 | 109.1° | 109.5° |
| C15 | C16 | H161 | 109.1° | 109.5° |
| C15 | C20 | N21 | 118.5° | 120.0° |
| C15 | C20 | O32 | 120.6° | 120.0° |
| C20 | C15 | H151 | 107.8° | 109.5° |
| N21 | C22 | C23 | 108.9° | 109.5° |
| N21 | C22 | C30 | 108.4° | 109.5° |
| C22 | N21 | C20 | 122.3° | 120.0° |
| N21 | C22 | H221 | 110.6° | 109.5° |
| C22 | N21 | H211 | 118.9° | 120.0° |
| C23 | C24 | C25 | 109.4° | 110.5° |
| C24 | C23 | C22 | 113.2° | 109.5° |
| C23 | C24 | C28 | 110.2° | 110.5° |
| C23 | C24 | H241 | 111.4° | 110.4° |
| C24 | C23 | H231 | 108.5° | 109.5° |
| C24 | C23 | H232 | 108.5° | 109.5° |
| C24 | C25 | N26 | 106.5° | 110.1° |
| C24 | C25 | O29 | 126.4° | 125.0° |
| C25 | C24 | C28 | 105.2° | 104.2° |
| C25 | C24 | H241 | 109.7° | 110.6° |
| N26 | C27 | C28 | 108.3° | 105.5° |
| C27 | N26 | C25 | 109.1° | 111.3° |
| N26 | C27 | H272 | 109.8° | 110.3° |
| N26 | C27 | H271 | 109.7° | 110.3° |
| C27 | N26 | H261 | 125.5° | 124.3° |
| C27 | C28 | C24 | 106.3° | 101.8° |
| C27 | C28 | H281 | 110.3° | 111.0° |
| C27 | C28 | H282 | 110.3° | 111.0° |
| C28 | C27 | H272 | 109.8° | 110.3° |
| C28 | C27 | H271 | 109.7° | 110.2° |
| N26 | C25 | O29 | 127.1° | 124.9° |
| C25 | N26 | H261 | 125.5° | 124.3° |
| C23 | C22 | C30 | 109.2° | 109.5° |
| C23 | C22 | H221 | 109.6° | 109.5° |
| C22 | C23 | H231 | 108.5° | 109.5° |
| C22 | C23 | H232 | 108.5° | 109.5° |
| C22 | C30 | N31 | 121.6° | 120.0° |
| C30 | C22 | H221 | 110.1° | 109.5° |
| C22 | C30 | H301 | 119.2° | 120.0° |
| N31 | C30 | H301 | 119.2° | 120.0° |
| C30 | N31 | H311 | 112.0° | 120.0° |
| N21 | C20 | O32 | 120.9° | 120.0° |
| C20 | N21 | H211 | 118.8° | 120.0° |
| N14 | C13 | O33 | 120.4° | 120.0° |
| N14 | C13 | C12 | 120.2° | 120.0° |
| C13 | N14 | H141 | 119.6° | 120.0° |
| O33 | C13 | C12 | 119.4° | 120.0° |
| C13 | C12 | C34 | 120.6° | 120.0° |
| C12 | C34 | C35 | 119.9° | 119.9° |
| C12 | C34 | F36 | 120.1° | 120.1° |
| C35 | C34 | F36 | 120.0° | 120.1° |
| C34 | C35 | C09 | 120.2° | 120.0° |
| C34 | C35 | H351 | 119.9° | 120.0° |
| C03 | C08 | H081 | 120.1° | 119.9° |
| C09 | C35 | H351 | 119.9° | 120.0° |
| C28 | C24 | H241 | 110.8° | 110.5° |
| C24 | C28 | H281 | 110.3° | 111.0° |
| C24 | C28 | H282 | 110.2° | 110.9° |
| H281 | C28 | H282 | 109.4° | 110.9° |
| H011 | C01 | H013 | 109.5° | 109.4° |
| H011 | C01 | H012 | 109.4° | 109.5° |
| H013 | C01 | H012 | 109.5° | 109.5° |
| H162 | C16 | H161 | 109.5° | 109.5° |
| H183 | C18 | H182 | 109.5° | 109.5° |
| H183 | C18 | H181 | 109.5° | 109.5° |
| H182 | C18 | H181 | 109.5° | 109.4° |
| H193 | C19 | H191 | 109.5° | 109.5° |
| H193 | C19 | H192 | 109.5° | 109.5° |
| H191 | C19 | H192 | 109.5° | 109.5° |
| H231 | C23 | H232 | 109.5° | 109.4° |
| H272 | C27 | H271 | 109.5° | 110.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | O02 | C03 | C04 | 24.8° | 0.2° |
| C01 | O02 | C03 | C08 | 155.4° | 180.0° |
| O02 | C01 | H011 | H013 | 120.0° | 119.9° |
| O02 | C01 | H011 | H012 | 120.0° | 120.0° |
| O02 | C01 | H013 | H012 | 120.0° | 120.0° |
| O02 | C03 | C04 | C08 | 179.8° | 179.7° |
| O02 | C03 | C04 | C05 | 180.0° | 180.0° |
| O02 | C03 | C08 | C07 | 179.9° | 179.7° |
| C03 | O02 | C01 | H011 | 180.0° | 59.9° |
| C03 | O02 | C01 | H013 | 60.0° | 60.0° |
| C03 | O02 | C01 | H012 | 60.0° | 180.0° |
| O02 | C03 | C04 | H041 | 0.0° | 0.0° |
| O02 | C03 | C08 | H081 | 0.1° | 0.0° |
| C03 | C04 | C05 | H041 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 0.2° | 0.0° |
| C04 | C03 | C08 | C07 | 0.1° | 0.6° |
| C03 | C04 | C05 | H051 | 179.9° | 180.0° |
| C04 | C03 | C08 | H081 | 179.9° | 179.7° |
| C04 | C05 | C06 | H051 | 180.0° | 180.0° |
| C04 | C05 | C06 | C07 | 0.6° | 0.0° |
| C04 | C05 | C06 | C09 | 179.4° | 180.0° |
| C05 | C04 | C03 | C08 | 0.2° | 0.3° |
| C05 | C06 | C07 | C08 | 0.7° | 0.3° |
| C05 | C06 | C07 | C09 | 178.8° | 180.0° |
| C05 | C06 | C09 | C10 | 38.6° | 180.0° |
| C05 | C06 | C09 | C35 | 143.0° | 0.0° |
| C06 | C05 | C04 | H041 | 179.8° | 180.0° |
| C05 | C06 | C07 | H071 | 179.3° | 179.9° |
| C08 | C07 | C06 | H071 | 180.0° | 179.8° |
| C08 | C07 | C06 | C09 | 179.5° | 179.8° |
| C07 | C08 | C03 | H081 | 180.0° | 179.7° |
| C07 | C06 | C09 | C10 | 140.2° | 0.0° |
| C06 | C07 | C08 | C03 | 0.4° | 0.5° |
| C07 | C06 | C09 | C35 | 38.2° | 180.0° |
| C07 | C06 | C05 | H051 | 179.4° | 180.0° |
| C06 | C07 | C08 | H081 | 179.6° | 179.7° |
| C06 | C09 | C10 | C35 | 178.4° | 180.0° |
| C06 | C09 | C10 | C11 | 179.2° | 179.7° |
| C06 | C09 | C35 | C34 | 179.2° | 179.5° |
| C06 | C09 | C10 | H101 | 0.8° | 0.0° |
| C09 | C06 | C05 | H051 | 0.6° | 0.0° |
| C09 | C06 | C07 | H071 | 0.5° | 0.1° |
| C06 | C09 | C35 | H351 | 0.8° | 0.0° |
| C09 | C10 | C11 | H101 | 180.0° | 179.8° |
| C09 | C10 | C11 | C12 | 0.2° | 0.0° |
| C10 | C09 | C35 | C34 | 0.8° | 0.5° |
| C09 | C10 | C11 | H111 | 179.7° | 180.0° |
| C10 | C09 | C35 | H351 | 179.2° | 180.0° |
| C10 | C11 | C12 | H111 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 179.4° | 180.0° |
| C10 | C11 | C12 | C34 | 0.3° | 0.0° |
| C11 | C10 | C09 | C35 | 0.8° | 0.2° |
| C11 | C12 | C13 | N14 | 48.8° | 0.0° |
| C11 | C12 | C13 | O33 | 129.9° | 180.0° |
| C11 | C12 | C13 | C34 | 179.0° | 180.0° |
| C11 | C12 | C34 | C35 | 0.4° | 0.3° |
| C11 | C12 | C34 | F36 | 179.9° | 180.0° |
| C12 | C11 | C10 | H101 | 179.8° | 179.7° |
| N14 | C15 | C16 | C17 | 60.5° | 174.1° |
| N14 | C15 | C16 | C20 | 124.5° | 120.0° |
| N14 | C15 | C16 | H151 | 117.8° | 120.0° |
| N14 | C15 | C20 | H151 | 120.2° | 120.0° |
| N14 | C15 | C20 | N21 | 118.6° | 166.6° |
| N14 | C15 | C20 | O32 | 61.5° | 13.3° |
| C15 | N14 | C13 | H141 | 180.0° | 179.9° |
| C15 | N14 | C13 | O33 | 0.1° | 5.1° |
| C15 | N14 | C13 | C12 | 178.8° | 174.9° |
| N14 | C15 | C16 | H162 | 179.2° | 54.1° |
| N14 | C15 | C16 | H161 | 59.7° | 65.9° |
| C16 | C17 | C18 | C19 | 123.4° | 120.0° |
| C16 | C17 | C18 | H171 | 118.1° | 120.1° |
| C16 | C17 | C19 | H171 | 118.4° | 120.0° |
| C17 | C16 | C15 | H162 | 120.2° | 120.0° |
| C17 | C16 | C15 | H161 | 120.2° | 120.0° |
| C17 | C16 | C15 | C20 | 175.0° | 65.9° |
| C17 | C16 | C15 | H151 | 57.3° | 54.1° |
| C17 | C16 | H162 | H161 | 119.4° | 120.0° |
| C16 | C17 | C18 | H183 | 180.0° | 175.8° |
| C16 | C17 | C18 | H182 | 60.0° | 55.8° |
| C16 | C17 | C18 | H181 | 60.0° | 64.1° |
| C16 | C17 | C19 | H193 | 180.0° | 60.0° |
| C16 | C17 | C19 | H191 | 60.0° | 180.0° |
| C16 | C17 | C19 | H192 | 60.0° | 60.0° |
| C18 | C17 | C19 | H171 | 118.3° | 120.0° |
| C18 | C17 | C16 | C15 | 72.4° | 66.4° |
| C18 | C17 | C16 | H162 | 47.8° | 53.6° |
| C18 | C17 | C16 | H161 | 167.4° | 173.6° |
| C17 | C18 | H183 | H182 | 120.0° | 120.0° |
| C17 | C18 | H183 | H181 | 120.0° | 120.0° |
| C17 | C18 | H182 | H181 | 120.0° | 120.0° |
| C18 | C17 | C19 | H193 | 56.8° | 180.0° |
| C18 | C17 | C19 | H191 | 176.8° | 60.0° |
| C18 | C17 | C19 | H192 | 63.2° | 60.0° |
| C19 | C17 | C16 | C15 | 164.6° | 173.6° |
| C19 | C17 | C16 | H162 | 75.2° | 66.4° |
| C19 | C17 | C16 | H161 | 44.4° | 53.6° |
| C19 | C17 | C18 | H183 | 56.6° | 64.2° |
| C19 | C17 | C18 | H182 | 63.4° | 175.8° |
| C19 | C17 | C18 | H181 | 176.6° | 55.9° |
| C17 | C19 | H193 | H191 | 120.0° | 120.0° |
| C17 | C19 | H193 | H192 | 120.0° | 119.9° |
| C17 | C19 | H191 | H192 | 120.0° | 119.9° |
| C16 | C15 | C20 | H151 | 117.8° | 120.1° |
| C16 | C15 | C20 | N21 | 119.5° | 73.5° |
| C16 | C15 | C20 | O32 | 60.5° | 106.6° |
| C16 | C15 | N14 | C13 | 177.4° | 88.5° |
| C15 | C16 | C17 | H171 | 45.8° | 53.6° |
| C15 | C16 | H162 | H161 | 119.3° | 120.0° |
| C16 | C15 | N14 | H141 | 2.6° | 91.5° |
| C15 | C20 | N21 | C22 | 179.9° | 175.3° |
| C15 | C20 | N21 | O32 | 180.0° | 179.9° |
| C20 | C15 | N14 | C13 | 54.2° | 151.5° |
| C20 | C15 | C16 | H162 | 54.8° | 174.1° |
| C20 | C15 | C16 | H161 | 64.8° | 54.1° |
| C20 | C15 | N14 | H141 | 125.7° | 28.4° |
| C15 | C20 | N21 | H211 | 0.1° | 4.7° |
| N21 | C22 | C23 | C24 | 65.4° | 64.1° |
| N21 | C22 | C23 | C30 | 118.2° | 120.0° |
| N21 | C22 | C23 | H221 | 121.1° | 120.0° |
| N21 | C22 | C30 | H221 | 121.2° | 120.0° |
| N21 | C22 | C30 | N31 | 135.0° | 0.0° |
| C22 | N21 | C20 | H211 | 180.0° | 179.9° |
| C22 | N21 | C20 | O32 | 0.0° | 4.7° |
| N21 | C22 | C23 | H231 | 174.1° | 56.0° |
| N21 | C22 | C23 | H232 | 55.2° | 175.9° |
| N21 | C22 | C30 | H301 | 45.0° | 180.0° |
| C23 | C24 | C25 | C28 | 118.4° | 118.7° |
| C23 | C24 | C25 | H241 | 122.5° | 122.5° |
| C23 | C24 | C28 | C27 | 138.5° | 143.5° |
| C23 | C24 | C25 | N26 | 130.2° | 134.9° |
| C23 | C24 | C25 | O29 | 49.6° | 45.0° |
| C24 | C23 | C22 | H231 | 120.6° | 120.0° |
| C24 | C23 | C22 | H232 | 120.5° | 120.0° |
| C24 | C23 | C22 | C30 | 176.4° | 175.9° |
| C23 | C24 | C28 | H241 | 123.7° | 122.5° |
| C24 | C23 | C22 | H221 | 55.8° | 56.0° |
| C23 | C24 | C28 | H281 | 102.0° | 25.3° |
| C23 | C24 | C28 | H282 | 19.0° | 98.4° |
| C24 | C23 | H231 | H232 | 118.3° | 120.0° |
| C24 | C25 | N26 | C27 | 0.4° | 0.4° |
| C25 | C24 | C28 | C27 | 20.6° | 24.8° |
| C24 | C25 | N26 | O29 | 179.7° | 179.9° |
| C25 | C24 | C23 | C22 | 177.8° | 179.9° |
| C25 | C24 | C28 | H241 | 118.5° | 118.8° |
| C25 | C24 | C28 | H281 | 140.2° | 93.3° |
| C25 | C24 | C28 | H282 | 98.9° | 142.9° |
| C25 | C24 | C23 | H231 | 61.6° | 59.9° |
| C25 | C24 | C23 | H232 | 57.3° | 60.1° |
| C24 | C25 | N26 | H261 | 179.6° | 179.6° |
| N26 | C27 | C28 | H272 | 119.9° | 119.0° |
| N26 | C27 | C28 | H271 | 119.8° | 119.0° |
| C27 | N26 | C25 | H261 | 180.0° | 180.0° |
| C27 | N26 | C25 | O29 | 179.8° | 179.6° |
| N26 | C27 | C28 | C24 | 21.2° | 25.4° |
| N26 | C27 | C28 | H281 | 140.7° | 92.7° |
| N26 | C27 | C28 | H282 | 98.3° | 143.5° |
| N26 | C27 | H272 | H271 | 120.5° | 122.0° |
| C28 | C27 | N26 | C25 | 14.1° | 17.0° |
| C27 | C28 | C24 | H281 | 119.5° | 118.1° |
| C27 | C28 | C24 | H282 | 119.5° | 118.1° |
| C27 | C28 | C24 | H241 | 97.8° | 94.0° |
| C27 | C28 | H281 | H282 | 121.4° | 123.8° |
| C28 | C27 | H272 | H271 | 120.5° | 121.9° |
| C28 | C27 | N26 | H261 | 165.9° | 163.0° |
| N26 | C25 | C24 | C28 | 11.8° | 16.2° |
| N26 | C25 | C24 | H241 | 107.4° | 102.6° |
| C25 | N26 | C27 | H272 | 105.7° | 136.1° |
| C25 | N26 | C27 | H271 | 133.9° | 101.9° |
| O29 | C25 | C24 | C28 | 167.9° | 163.7° |
| O29 | C25 | C24 | H241 | 72.9° | 77.5° |
| O29 | C25 | N26 | H261 | 0.2° | 0.3° |
| C23 | C22 | C30 | H221 | 120.4° | 120.0° |
| C23 | C22 | C30 | N31 | 106.5° | 120.0° |
| C23 | C22 | N21 | C20 | 126.9° | 157.7° |
| C22 | C23 | C24 | C28 | 67.0° | 65.3° |
| C22 | C23 | C24 | H241 | 56.4° | 57.3° |
| C22 | C23 | H231 | H232 | 118.3° | 120.0° |
| C23 | C22 | C30 | H301 | 73.5° | 59.9° |
| C23 | C22 | N21 | H211 | 53.1° | 22.3° |
| C22 | C30 | N31 | H301 | 180.0° | 179.9° |
| C30 | C22 | N21 | C20 | 114.4° | 82.3° |
| C30 | C22 | C23 | H231 | 55.8° | 64.0° |
| C30 | C22 | C23 | H232 | 63.0° | 55.9° |
| C30 | C22 | N21 | H211 | 65.6° | 97.7° |
| C22 | C30 | N31 | H311 | 180.0° | 180.0° |
| N31 | C30 | C22 | H221 | 13.9° | 120.0° |
| N21 | C20 | C15 | H151 | 1.6° | 46.6° |
| C20 | N21 | C22 | H221 | 6.4° | 37.7° |
| O32 | C20 | C15 | H151 | 178.3° | 133.3° |
| O32 | C20 | N21 | H211 | 180.0° | 175.4° |
| N14 | C13 | O33 | C12 | 178.7° | 179.9° |
| N14 | C13 | C12 | C34 | 132.2° | 180.0° |
| C13 | N14 | C15 | H151 | 65.3° | 31.5° |
| O33 | C13 | C12 | C34 | 49.1° | 0.0° |
| O33 | C13 | N14 | H141 | 179.9° | 174.9° |
| C13 | C12 | C34 | C35 | 179.4° | 179.8° |
| C13 | C12 | C34 | F36 | 0.9° | 0.0° |
| C13 | C12 | C11 | H111 | 0.7° | 0.0° |
| C12 | C13 | N14 | H141 | 1.2° | 5.0° |
| C12 | C34 | C35 | F36 | 179.7° | 179.8° |
| C12 | C34 | C35 | C09 | 0.2° | 0.5° |
| C34 | C12 | C11 | H111 | 179.7° | 180.0° |
| C12 | C34 | C35 | H351 | 179.8° | 180.0° |
| C34 | C35 | C09 | H351 | 180.0° | 179.5° |
| F36 | C34 | C35 | C09 | 179.5° | 179.7° |
| F36 | C34 | C35 | H351 | 0.5° | 0.2° |
| C08 | C03 | C04 | H041 | 179.8° | 179.7° |
| C03 | C08 | C07 | H071 | 179.6° | 179.6° |
| C35 | C09 | C10 | H101 | 179.2° | 180.0° |
| C24 | C28 | H281 | H282 | 121.4° | 123.8° |
| C28 | C24 | C23 | H231 | 53.6° | 174.7° |
| C28 | C24 | C23 | H232 | 172.5° | 54.7° |
| C24 | C28 | C27 | H272 | 98.7° | 144.5° |
| C24 | C28 | C27 | H271 | 140.9° | 93.6° |
| H101 | C10 | C11 | H111 | 0.2° | 0.3° |
| H151 | C15 | C16 | H162 | 62.9° | 65.9° |
| H151 | C15 | C16 | H161 | 177.5° | 174.1° |
| H151 | C15 | N14 | H141 | 114.7° | 148.4° |
| H171 | C17 | C16 | H162 | 166.1° | 173.6° |
| H171 | C17 | C16 | H161 | 74.4° | 66.4° |
| H171 | C17 | C18 | H183 | 61.9° | 55.8° |
| H171 | C17 | C18 | H182 | 178.1° | 64.2° |
| H171 | C17 | C18 | H181 | 58.1° | 175.8° |
| H171 | C17 | C19 | H193 | 61.6° | 60.0° |
| H171 | C17 | C19 | H191 | 58.5° | 60.0° |
| H171 | C17 | C19 | H192 | 178.4° | 180.0° |
| H221 | C22 | C23 | H231 | 64.8° | 176.0° |
| H221 | C22 | C23 | H232 | 176.3° | 64.1° |
| H221 | C22 | C30 | H301 | 166.1° | 60.0° |
| H221 | C22 | N21 | H211 | 173.6° | 142.3° |
| H241 | C24 | C28 | H281 | 21.7° | 147.9° |
| H241 | C24 | C28 | H282 | 142.7° | 24.1° |
| H241 | C24 | C23 | H231 | 176.9° | 62.7° |
| H241 | C24 | C23 | H232 | 64.2° | 177.3° |
| H281 | C28 | C27 | H272 | 20.8° | 26.3° |
| H281 | C28 | C27 | H271 | 99.5° | 148.3° |
| H282 | C28 | C27 | H272 | 141.8° | 97.5° |
| H282 | C28 | C27 | H271 | 21.4° | 24.5° |
| H011 | C01 | H013 | H012 | 120.0° | 120.0° |
| H041 | C04 | C05 | H051 | 0.1° | 0.0° |
| H071 | C07 | C08 | H081 | 0.4° | 0.1° |
| H183 | C18 | H182 | H181 | 120.0° | 120.0° |
| H193 | C19 | H191 | H192 | 120.0° | 120.1° |
| H272 | C27 | N26 | H261 | 74.3° | 44.0° |
| H271 | C27 | N26 | H261 | 46.1° | 78.0° |
| H301 | C30 | N31 | H311 | 0.0° | 0.0° |
