A1BF2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N02 | C01 | sing | 1.46Å | 1.43Å | |
| N03 | N02 | sing | 1.40Å | 1.37Å | Aromatic |
| C04 | N03 | doub | 1.31Å | 1.35Å | Aromatic |
| C05 | C04 | sing | 1.41Å | 1.40Å | Aromatic |
| C07 | C06 | doub | 1.40Å | 1.41Å | Aromatic |
| C08 | C07 | sing | 1.36Å | 1.41Å | Aromatic |
| C11 | N10 | sing | 1.35Å | 1.52Å | |
| C13 | C12 | doub | 1.40Å | 1.41Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.37Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| C18 | O17 | sing | 1.43Å | 1.43Å | |
| C19 | C18 | sing | 1.53Å | 1.58Å | |
| N20 | C19 | sing | 1.47Å | 1.55Å | |
| C22 | C21 | sing | 1.55Å | 1.36Å | |
| C23 | C22 | sing | 1.55Å | 1.55Å | |
| C21 | N20 | sing | 1.48Å | 1.48Å | |
| C24 | N20 | sing | 1.47Å | 1.08Å | |
| O17 | C16 | sing | 1.36Å | 1.40Å | |
| C25 | C16 | doub | 1.39Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | C13 | sing | 1.51Å | 1.49Å | |
| C12 | C11 | sing | 1.48Å | 1.57Å | |
| O27 | C11 | doub | 1.22Å | 1.20Å | |
| N10 | C09 | sing | 1.46Å | 1.44Å | |
| C28 | C09 | sing | 1.53Å | 1.54Å | |
| C09 | C08 | sing | 1.51Å | 1.57Å | |
| C29 | C08 | doub | 1.41Å | 1.47Å | Aromatic |
| C30 | C29 | sing | 1.40Å | 1.43Å | Aromatic |
| C31 | C30 | doub | 1.36Å | 1.42Å | Aromatic |
| C32 | C31 | sing | 1.39Å | 1.43Å | Aromatic |
| C33 | C32 | doub | 1.36Å | 1.39Å | Aromatic |
| C34 | C33 | sing | 1.41Å | 1.46Å | Aromatic |
| N35 | C34 | doub | 1.34Å | 1.36Å | Aromatic |
| C06 | C05 | sing | 1.48Å | 1.57Å | |
| C36 | C05 | doub | 1.37Å | 1.37Å | Aromatic |
| N02 | C36 | sing | 1.35Å | 1.33Å | Aromatic |
| C06 | N35 | sing | 1.32Å | 1.37Å | Aromatic |
| C12 | C25 | sing | 1.40Å | 1.35Å | Aromatic |
| C19 | C23 | sing | 1.54Å | 1.31Å | |
| C29 | C34 | sing | 1.42Å | 1.39Å | Aromatic |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H243 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H263 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H283 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| 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 | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| C36 | H361 | sing | 1.08Å | 1.08Å | |
| N10 | H101 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | N02 | N03 | 124.5° | 125.9° |
| C01 | N02 | C36 | 125.0° | 125.9° |
| N02 | C01 | H013 | 109.5° | 109.5° |
| N02 | C01 | H011 | 109.5° | 109.5° |
| N02 | C01 | H012 | 109.5° | 109.5° |
| N02 | N03 | C04 | 107.3° | 108.6° |
| N03 | N02 | C36 | 110.6° | 108.2° |
| N03 | C04 | C05 | 107.4° | 108.0° |
| N03 | C04 | H041 | 126.3° | 126.0° |
| C04 | C05 | C06 | 125.7° | 126.3° |
| C04 | C05 | C36 | 107.7° | 107.5° |
| C05 | C04 | H041 | 126.3° | 126.0° |
| C06 | C07 | C08 | 118.6° | 119.9° |
| C07 | C06 | C05 | 119.8° | 119.3° |
| C07 | C06 | N35 | 121.7° | 121.4° |
| C06 | C07 | H071 | 120.7° | 120.1° |
| C07 | C08 | C09 | 120.6° | 120.9° |
| C07 | C08 | C29 | 117.7° | 118.3° |
| C08 | C07 | H071 | 120.7° | 120.0° |
| N10 | C11 | C12 | 118.6° | 120.0° |
| N10 | C11 | O27 | 120.8° | 120.0° |
| C11 | N10 | C09 | 119.1° | 120.0° |
| C11 | N10 | H101 | 120.5° | 120.0° |
| C12 | C13 | C14 | 119.7° | 119.9° |
| C12 | C13 | C26 | 119.5° | 120.0° |
| C13 | C12 | C11 | 121.4° | 120.1° |
| C13 | C12 | C25 | 120.3° | 119.8° |
| C14 | C15 | C16 | 119.6° | 120.2° |
| C15 | C14 | C13 | 120.0° | 120.2° |
| C14 | C15 | H151 | 120.2° | 119.9° |
| C15 | C14 | H141 | 120.0° | 119.9° |
| C15 | C16 | O17 | 122.5° | 120.0° |
| C15 | C16 | C25 | 120.3° | 120.0° |
| C16 | C15 | H151 | 120.2° | 119.9° |
| O17 | C18 | C19 | 103.1° | 109.5° |
| C18 | O17 | C16 | 117.8° | 117.0° |
| O17 | C18 | H181 | 111.0° | 109.5° |
| O17 | C18 | H182 | 111.0° | 109.4° |
| C18 | C19 | N20 | 113.4° | 109.9° |
| C18 | C19 | C23 | 112.2° | 109.9° |
| C19 | C18 | H181 | 111.1° | 109.4° |
| C19 | C18 | H182 | 111.0° | 109.4° |
| C18 | C19 | H191 | 107.5° | 109.9° |
| C19 | N20 | C21 | 103.8° | 108.6° |
| C19 | N20 | C24 | 111.7° | 111.0° |
| N20 | C19 | C23 | 104.7° | 107.2° |
| N20 | C19 | H191 | 107.8° | 110.0° |
| C21 | C22 | C23 | 106.0° | 101.7° |
| C22 | C21 | N20 | 106.3° | 104.8° |
| C22 | C21 | H211 | 110.3° | 110.4° |
| C22 | C21 | H212 | 110.3° | 110.4° |
| C21 | C22 | H221 | 110.3° | 111.0° |
| C21 | C22 | H222 | 110.3° | 111.0° |
| C22 | C23 | C19 | 102.8° | 103.0° |
| C23 | C22 | H221 | 110.3° | 111.0° |
| C23 | C22 | H222 | 110.4° | 111.1° |
| C22 | C23 | H231 | 111.1° | 110.7° |
| C22 | C23 | H232 | 111.1° | 110.7° |
| C21 | N20 | C24 | 110.7° | 111.0° |
| N20 | C21 | H211 | 110.2° | 110.4° |
| N20 | C21 | H212 | 110.2° | 110.4° |
| N20 | C24 | H241 | 109.5° | 109.4° |
| N20 | C24 | H242 | 109.5° | 109.4° |
| N20 | C24 | H243 | 109.5° | 109.4° |
| O17 | C16 | C25 | 117.1° | 120.0° |
| C16 | C25 | C12 | 120.1° | 119.8° |
| C16 | C25 | H251 | 120.0° | 120.1° |
| C14 | C13 | C26 | 120.9° | 120.0° |
| C13 | C14 | H141 | 120.0° | 119.9° |
| C13 | C26 | H262 | 109.5° | 109.5° |
| C13 | C26 | H261 | 109.5° | 109.5° |
| C13 | C26 | H263 | 109.5° | 109.5° |
| C12 | C11 | O27 | 120.5° | 120.0° |
| C11 | C12 | C25 | 118.3° | 120.1° |
| N10 | C09 | C28 | 109.0° | 109.5° |
| N10 | C09 | C08 | 106.9° | 109.5° |
| N10 | C09 | H091 | 110.8° | 109.5° |
| C09 | N10 | H101 | 120.5° | 120.0° |
| C28 | C09 | C08 | 111.6° | 109.5° |
| C09 | C28 | H281 | 109.5° | 109.4° |
| C09 | C28 | H283 | 109.5° | 109.5° |
| C09 | C28 | H282 | 109.4° | 109.4° |
| C28 | C09 | H091 | 109.5° | 109.5° |
| C09 | C08 | C29 | 121.7° | 120.9° |
| C08 | C09 | H091 | 109.0° | 109.4° |
| C08 | C29 | C30 | 119.9° | 121.2° |
| C08 | C29 | C34 | 120.5° | 119.2° |
| C29 | C30 | C31 | 120.1° | 119.6° |
| C30 | C29 | C34 | 119.6° | 119.6° |
| C29 | C30 | H301 | 120.0° | 120.2° |
| C30 | C31 | C32 | 120.2° | 120.9° |
| C31 | C30 | H301 | 120.0° | 120.2° |
| C30 | C31 | H311 | 119.9° | 119.6° |
| C31 | C32 | C33 | 119.8° | 121.0° |
| C32 | C31 | H311 | 119.9° | 119.6° |
| C31 | C32 | H321 | 120.1° | 119.5° |
| C32 | C33 | C34 | 119.8° | 119.8° |
| C33 | C32 | H321 | 120.1° | 119.5° |
| C32 | C33 | H331 | 120.1° | 120.1° |
| C33 | C34 | N35 | 119.8° | 121.0° |
| C33 | C34 | C29 | 120.5° | 119.1° |
| C34 | C33 | H331 | 120.1° | 120.2° |
| C34 | N35 | C06 | 121.8° | 121.3° |
| N35 | C34 | C29 | 119.6° | 120.0° |
| C06 | C05 | C36 | 126.6° | 126.2° |
| C05 | C06 | N35 | 118.5° | 119.3° |
| C05 | C36 | N02 | 107.0° | 107.6° |
| C05 | C36 | H361 | 126.5° | 126.2° |
| N02 | C36 | H361 | 126.5° | 126.2° |
| C12 | C25 | H251 | 119.9° | 120.1° |
| C23 | C19 | H191 | 111.2° | 109.9° |
| C19 | C23 | H231 | 111.1° | 110.7° |
| C19 | C23 | H232 | 111.1° | 110.7° |
| H211 | C21 | H212 | 109.5° | 110.4° |
| H221 | C22 | H222 | 109.5° | 110.8° |
| H241 | C24 | H242 | 109.5° | 109.5° |
| H241 | C24 | H243 | 109.4° | 109.5° |
| H242 | C24 | H243 | 109.4° | 109.5° |
| H262 | C26 | H261 | 109.4° | 109.5° |
| H262 | C26 | H263 | 109.5° | 109.5° |
| H261 | C26 | H263 | 109.5° | 109.5° |
| H281 | C28 | H283 | 109.5° | 109.5° |
| H281 | C28 | H282 | 109.5° | 109.4° |
| H283 | C28 | H282 | 109.5° | 109.5° |
| H013 | C01 | H011 | 109.4° | 109.4° |
| H013 | C01 | H012 | 109.5° | 109.5° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H181 | C18 | H182 | 109.5° | 109.6° |
| H231 | C23 | H232 | 109.5° | 110.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | N02 | N03 | C36 | 179.8° | 179.9° |
| C01 | N02 | N03 | C04 | 179.9° | 180.0° |
| C01 | N02 | C36 | C05 | 180.0° | 180.0° |
| N02 | C01 | H013 | H011 | 120.0° | 120.0° |
| N02 | C01 | H013 | H012 | 120.0° | 120.0° |
| N02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C01 | N02 | C36 | H361 | 0.0° | 0.1° |
| N02 | N03 | C04 | C05 | 0.1° | 0.0° |
| N03 | N02 | C36 | C05 | 0.1° | 0.1° |
| N03 | N02 | C01 | H013 | 0.0° | 90.0° |
| N03 | N02 | C01 | H011 | 120.0° | 30.0° |
| N03 | N02 | C01 | H012 | 120.0° | 150.0° |
| N02 | N03 | C04 | H041 | 179.9° | 179.7° |
| N03 | N02 | C36 | H361 | 179.9° | 179.9° |
| N03 | C04 | C05 | H041 | 180.0° | 179.7° |
| N03 | C04 | C05 | C06 | 179.9° | 179.9° |
| N03 | C04 | C05 | C36 | 0.2° | 0.0° |
| C04 | N03 | N02 | C36 | 0.0° | 0.1° |
| C04 | C05 | C06 | C07 | 157.4° | 5.2° |
| C04 | C05 | C06 | C36 | 179.9° | 179.9° |
| C04 | C05 | C36 | N02 | 0.2° | 0.1° |
| C04 | C05 | C06 | N35 | 22.3° | 175.0° |
| C04 | C05 | C36 | H361 | 179.8° | 179.9° |
| C06 | C07 | C08 | H071 | 180.0° | 180.0° |
| C06 | C07 | C08 | C09 | 179.5° | 180.0° |
| C06 | C07 | C08 | C29 | 0.5° | 0.0° |
| C07 | C06 | N35 | C34 | 0.3° | 0.5° |
| C07 | C06 | C05 | N35 | 179.7° | 179.8° |
| C07 | C06 | C05 | C36 | 22.5° | 174.7° |
| C07 | C08 | C09 | N10 | 63.3° | 25.0° |
| C07 | C08 | C09 | C28 | 55.8° | 95.0° |
| C07 | C08 | C09 | C29 | 179.0° | 180.0° |
| C07 | C08 | C29 | C30 | 179.8° | 180.0° |
| C08 | C07 | C06 | C05 | 179.8° | 180.0° |
| C08 | C07 | C06 | N35 | 0.0° | 0.2° |
| C07 | C08 | C29 | C34 | 0.7° | 0.0° |
| C07 | C08 | C09 | H091 | 176.8° | 145.0° |
| N10 | C11 | C12 | C13 | 101.9° | 175.8° |
| N10 | C11 | C12 | O27 | 179.5° | 179.9° |
| C11 | N10 | C09 | H101 | 180.0° | 180.0° |
| C11 | N10 | C09 | C28 | 154.0° | 84.9° |
| C11 | N10 | C09 | C08 | 85.2° | 155.0° |
| N10 | C11 | C12 | C25 | 77.7° | 4.2° |
| C11 | N10 | C09 | H091 | 33.4° | 35.0° |
| C12 | C13 | C14 | C15 | 0.0° | 0.0° |
| C13 | C12 | C25 | C16 | 0.1° | 0.0° |
| C12 | C13 | C14 | C26 | 179.9° | 179.7° |
| C13 | C12 | C11 | C25 | 179.6° | 180.0° |
| C13 | C12 | C11 | O27 | 78.6° | 4.3° |
| C12 | C13 | C26 | H262 | 89.9° | 82.4° |
| C12 | C13 | C26 | H261 | 150.1° | 157.6° |
| C12 | C13 | C26 | H263 | 30.1° | 37.6° |
| C12 | C13 | C14 | H141 | 180.0° | 180.0° |
| C13 | C12 | C25 | H251 | 179.9° | 180.0° |
| C14 | C15 | C16 | H151 | 180.0° | 179.4° |
| C14 | C15 | C16 | O17 | 179.2° | 180.0° |
| C14 | C15 | C16 | C25 | 0.3° | 0.9° |
| C15 | C14 | C13 | H141 | 180.0° | 179.9° |
| C15 | C14 | C13 | C26 | 179.9° | 179.7° |
| C15 | C16 | O17 | C18 | 29.6° | 0.1° |
| C15 | C16 | O17 | C25 | 178.9° | 179.1° |
| C16 | C15 | C14 | C13 | 0.3° | 0.6° |
| C15 | C16 | C25 | C12 | 0.1° | 0.6° |
| C16 | C15 | C14 | H141 | 179.7° | 179.5° |
| C15 | C16 | C25 | H251 | 179.9° | 179.5° |
| O17 | C18 | C19 | H181 | 119.0° | 120.0° |
| O17 | C18 | C19 | H182 | 119.0° | 119.9° |
| O17 | C18 | C19 | N20 | 176.6° | 175.8° |
| C18 | O17 | C16 | C25 | 151.5° | 179.2° |
| O17 | C18 | C19 | C23 | 65.0° | 58.0° |
| O17 | C18 | H181 | H182 | 123.0° | 120.0° |
| O17 | C18 | C19 | H191 | 57.6° | 63.0° |
| C18 | C19 | N20 | C23 | 122.6° | 119.4° |
| C18 | C19 | N20 | H191 | 118.9° | 121.1° |
| C18 | C19 | C23 | C22 | 161.9° | 141.7° |
| C18 | C19 | N20 | C21 | 149.5° | 118.4° |
| C18 | C19 | N20 | C24 | 30.1° | 3.8° |
| C19 | C18 | O17 | C16 | 145.9° | 180.0° |
| C18 | C19 | C23 | H191 | 120.4° | 121.0° |
| C19 | C18 | H181 | H182 | 123.0° | 120.0° |
| C18 | C19 | C23 | H231 | 42.9° | 23.3° |
| C18 | C19 | C23 | H232 | 79.2° | 99.9° |
| C19 | N20 | C21 | C22 | 0.9° | 24.1° |
| N20 | C19 | C23 | C22 | 38.4° | 22.3° |
| C19 | N20 | C21 | C24 | 120.0° | 122.3° |
| N20 | C19 | C23 | H191 | 116.2° | 119.5° |
| C19 | N20 | C21 | H211 | 118.6° | 142.9° |
| C19 | N20 | C21 | H212 | 120.4° | 94.8° |
| C19 | N20 | C24 | H241 | 180.0° | 57.2° |
| C19 | N20 | C24 | H242 | 60.0° | 62.7° |
| C19 | N20 | C24 | H243 | 60.0° | 177.2° |
| N20 | C19 | C18 | H181 | 64.4° | 64.2° |
| N20 | C19 | C18 | H182 | 57.7° | 55.9° |
| N20 | C19 | C23 | H231 | 80.5° | 96.1° |
| N20 | C19 | C23 | H232 | 157.4° | 140.7° |
| C21 | C22 | C23 | H221 | 119.4° | 118.1° |
| C21 | C22 | C23 | H222 | 119.4° | 118.1° |
| C22 | C21 | N20 | H211 | 119.5° | 118.9° |
| C22 | C21 | N20 | H212 | 119.5° | 118.8° |
| C22 | C21 | N20 | C24 | 119.1° | 146.4° |
| C21 | C22 | C23 | C19 | 39.8° | 35.6° |
| C22 | C21 | H211 | H212 | 121.5° | 122.3° |
| C21 | C22 | H221 | H222 | 121.6° | 123.8° |
| C21 | C22 | C23 | H231 | 79.1° | 82.7° |
| C21 | C22 | C23 | H232 | 158.7° | 154.0° |
| C23 | C22 | C21 | N20 | 21.2° | 37.0° |
| C22 | C23 | C19 | H231 | 118.9° | 118.4° |
| C22 | C23 | C19 | H232 | 118.9° | 118.4° |
| C23 | C22 | C21 | H211 | 140.7° | 155.9° |
| C23 | C22 | C21 | H212 | 98.3° | 81.8° |
| C23 | C22 | H221 | H222 | 121.6° | 123.9° |
| C22 | C23 | C19 | H191 | 77.8° | 97.3° |
| C22 | C23 | H231 | H232 | 123.1° | 123.3° |
| C21 | N20 | C19 | C23 | 26.9° | 1.0° |
| N20 | C21 | H211 | H212 | 121.4° | 122.3° |
| N20 | C21 | C22 | H221 | 140.6° | 155.2° |
| N20 | C21 | C22 | H222 | 98.3° | 81.1° |
| C21 | N20 | C24 | H241 | 64.8° | 63.6° |
| C21 | N20 | C24 | H242 | 55.2° | 176.4° |
| C21 | N20 | C24 | H243 | 175.2° | 56.4° |
| C21 | N20 | C19 | H191 | 91.6° | 120.5° |
| C24 | N20 | C19 | C23 | 92.5° | 123.3° |
| C24 | N20 | C21 | H211 | 121.4° | 94.8° |
| C24 | N20 | C21 | H212 | 0.4° | 27.5° |
| N20 | C24 | H241 | H242 | 120.0° | 119.9° |
| N20 | C24 | H241 | H243 | 120.0° | 119.9° |
| N20 | C24 | H242 | H243 | 120.0° | 120.0° |
| C24 | N20 | C19 | H191 | 149.0° | 117.3° |
| O17 | C16 | C25 | C12 | 179.0° | 179.7° |
| O17 | C16 | C15 | H151 | 0.8° | 0.6° |
| C16 | O17 | C18 | H181 | 95.1° | 60.0° |
| C16 | O17 | C18 | H182 | 27.0° | 60.1° |
| O17 | C16 | C25 | H251 | 1.0° | 0.4° |
| C16 | C25 | C12 | C11 | 179.7° | 180.0° |
| C16 | C25 | C12 | H251 | 180.0° | 179.9° |
| C25 | C16 | C15 | H151 | 179.7° | 179.7° |
| C14 | C13 | C12 | C11 | 179.8° | 179.7° |
| C14 | C13 | C12 | C25 | 0.2° | 0.3° |
| C13 | C14 | C15 | H151 | 179.8° | 180.0° |
| C14 | C13 | C26 | H262 | 89.9° | 97.9° |
| C14 | C13 | C26 | H261 | 30.1° | 22.1° |
| C14 | C13 | C26 | H263 | 150.1° | 142.1° |
| C26 | C13 | C12 | C11 | 0.1° | 0.0° |
| C26 | C13 | C12 | C25 | 179.7° | 180.0° |
| C13 | C26 | H262 | H261 | 120.0° | 120.0° |
| C13 | C26 | H262 | H263 | 120.0° | 120.0° |
| C13 | C26 | H261 | H263 | 120.0° | 120.0° |
| C26 | C13 | C14 | H141 | 0.1° | 0.3° |
| C12 | C11 | N10 | C09 | 179.3° | 180.0° |
| C11 | C12 | C25 | H251 | 0.3° | 0.0° |
| C12 | C11 | N10 | H101 | 0.6° | 0.1° |
| O27 | C11 | N10 | C09 | 0.2° | 0.1° |
| O27 | C11 | C12 | C25 | 101.8° | 175.7° |
| O27 | C11 | N10 | H101 | 179.8° | 180.0° |
| N10 | C09 | C28 | C08 | 117.8° | 120.0° |
| N10 | C09 | C28 | H091 | 121.4° | 120.0° |
| N10 | C09 | C08 | H091 | 119.8° | 120.0° |
| N10 | C09 | C08 | C29 | 115.6° | 155.0° |
| N10 | C09 | C28 | H281 | 180.0° | 60.1° |
| N10 | C09 | C28 | H283 | 60.0° | 60.0° |
| N10 | C09 | C28 | H282 | 60.0° | 180.0° |
| C28 | C09 | C08 | H091 | 121.0° | 120.0° |
| C28 | C09 | C08 | C29 | 125.2° | 85.0° |
| C09 | C28 | H281 | H283 | 120.0° | 120.1° |
| C09 | C28 | H281 | H282 | 120.0° | 119.9° |
| C09 | C28 | H283 | H282 | 120.0° | 120.0° |
| C28 | C09 | N10 | H101 | 26.0° | 95.0° |
| C09 | C08 | C29 | C30 | 0.8° | 0.0° |
| C09 | C08 | C29 | C34 | 179.7° | 180.0° |
| C08 | C09 | C28 | H281 | 62.2° | 60.0° |
| C08 | C09 | C28 | H283 | 57.9° | 180.0° |
| C08 | C09 | C28 | H282 | 177.8° | 59.9° |
| C09 | C08 | C07 | H071 | 0.5° | 0.0° |
| C08 | C09 | N10 | H101 | 94.7° | 25.0° |
| C08 | C29 | C30 | C34 | 179.5° | 179.9° |
| C08 | C29 | C30 | C31 | 179.6° | 180.0° |
| C08 | C29 | C34 | C33 | 179.6° | 180.0° |
| C08 | C29 | C34 | N35 | 0.5° | 0.2° |
| C29 | C08 | C07 | H071 | 179.5° | 180.0° |
| C29 | C08 | C09 | H091 | 4.2° | 35.0° |
| C08 | C29 | C30 | H301 | 0.4° | 0.1° |
| C29 | C30 | C31 | H301 | 180.0° | 179.9° |
| C29 | C30 | C31 | C32 | 0.1° | 0.1° |
| C30 | C29 | C34 | C33 | 0.1° | 0.0° |
| C30 | C29 | C34 | N35 | 180.0° | 179.7° |
| C29 | C30 | C31 | H311 | 179.9° | 180.0° |
| C30 | C31 | C32 | H311 | 180.0° | 179.9° |
| C30 | C31 | C32 | C33 | 0.1° | 0.0° |
| C31 | C30 | C29 | C34 | 0.1° | 0.1° |
| C30 | C31 | C32 | H321 | 179.9° | 180.0° |
| C31 | C32 | C33 | H321 | 180.0° | 180.0° |
| C31 | C32 | C33 | C34 | 0.0° | 0.0° |
| C32 | C31 | C30 | H301 | 180.0° | 180.0° |
| C31 | C32 | C33 | H331 | 180.0° | 180.0° |
| C32 | C33 | C34 | H331 | 180.0° | 180.0° |
| C32 | C33 | C34 | N35 | 180.0° | 179.8° |
| C32 | C33 | C34 | C29 | 0.1° | 0.0° |
| C33 | C32 | C31 | H311 | 179.9° | 179.9° |
| C33 | C34 | N35 | C29 | 179.9° | 179.8° |
| C33 | C34 | N35 | C06 | 179.8° | 179.8° |
| C34 | C33 | C32 | H321 | 180.0° | 180.0° |
| C34 | N35 | C06 | C05 | 180.0° | 179.8° |
| N35 | C34 | C33 | H331 | 0.0° | 0.2° |
| C06 | C05 | C36 | N02 | 179.9° | 180.0° |
| C06 | C05 | C04 | H041 | 0.1° | 0.2° |
| C05 | C06 | C07 | H071 | 0.3° | 0.0° |
| C06 | C05 | C36 | H361 | 0.1° | 0.2° |
| C05 | C36 | N02 | H361 | 180.0° | 179.8° |
| C36 | C05 | C06 | N35 | 157.8° | 5.1° |
| C36 | C05 | C04 | H041 | 179.9° | 179.7° |
| C36 | N02 | C01 | H013 | 179.8° | 90.0° |
| C36 | N02 | C01 | H011 | 60.2° | 150.1° |
| C36 | N02 | C01 | H012 | 59.8° | 30.1° |
| C06 | N35 | C34 | C29 | 0.0° | 0.5° |
| N35 | C06 | C07 | H071 | 180.0° | 179.8° |
| C19 | C23 | C22 | H221 | 159.2° | 153.8° |
| C19 | C23 | C22 | H222 | 79.6° | 82.5° |
| C23 | C19 | C18 | H181 | 54.0° | 178.0° |
| C23 | C19 | C18 | H182 | 176.1° | 61.9° |
| C19 | C23 | H231 | H232 | 123.1° | 123.2° |
| C34 | C29 | C30 | H301 | 179.9° | 180.0° |
| C29 | C34 | C33 | H331 | 179.9° | 180.0° |
| H151 | C15 | C14 | H141 | 0.3° | 0.1° |
| H211 | C21 | C22 | H221 | 99.9° | 86.0° |
| H211 | C21 | C22 | H222 | 21.2° | 37.8° |
| H212 | C21 | C22 | H221 | 21.2° | 36.3° |
| H212 | C21 | C22 | H222 | 142.3° | 160.0° |
| H221 | C22 | C23 | H231 | 40.3° | 35.4° |
| H221 | C22 | C23 | H232 | 81.8° | 87.9° |
| H222 | C22 | C23 | H231 | 161.4° | 159.2° |
| H222 | C22 | C23 | H232 | 39.3° | 35.9° |
| H241 | C24 | H242 | H243 | 120.0° | 120.1° |
| H262 | C26 | H261 | H263 | 120.0° | 120.0° |
| H281 | C28 | H283 | H282 | 120.0° | 120.0° |
| H281 | C28 | C09 | H091 | 58.6° | 179.9° |
| H283 | C28 | C09 | H091 | 178.6° | 60.0° |
| H282 | C28 | C09 | H091 | 61.4° | 60.0° |
| H013 | C01 | H011 | H012 | 120.0° | 120.0° |
| H091 | C09 | N10 | H101 | 146.6° | 145.0° |
| H181 | C18 | C19 | H191 | 176.6° | 57.0° |
| H182 | C18 | C19 | H191 | 61.4° | 177.1° |
| H191 | C19 | C23 | H231 | 163.3° | 144.3° |
| H191 | C19 | C23 | H232 | 41.2° | 21.1° |
| H301 | C30 | C31 | H311 | 0.1° | 0.1° |
| H311 | C31 | C32 | H321 | 0.1° | 0.0° |
| H321 | C32 | C33 | H331 | 0.1° | 0.0° |
