A1BYK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N02 | C01 | sing | 1.46Å | 1.45Å | |
| C03 | N02 | sing | 1.36Å | 1.32Å | Aromatic |
| C04 | C03 | doub | 1.36Å | 1.38Å | Aromatic |
| C06 | C05 | doub | 1.39Å | 1.41Å | Aromatic |
| C07 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C08 | C07 | doub | 1.39Å | 1.39Å | Aromatic |
| C09 | C08 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C09 | doub | 1.39Å | 1.42Å | Aromatic |
| C05 | C04 | sing | 1.47Å | 1.42Å | Aromatic |
| C11 | C04 | sing | 1.48Å | 1.54Å | |
| N12 | C11 | doub | 1.33Å | 1.32Å | Aromatic |
| C13 | N12 | sing | 1.32Å | 1.32Å | Aromatic |
| C15 | N14 | sing | 1.32Å | 1.32Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| N14 | C13 | doub | 1.33Å | 1.31Å | Aromatic |
| N17 | C13 | sing | 1.38Å | 1.47Å | |
| C18 | N17 | sing | 1.40Å | 1.46Å | |
| C19 | C18 | doub | 1.39Å | 1.38Å | Aromatic |
| C21 | N20 | doub | 1.32Å | 1.31Å | Aromatic |
| C23 | C22 | doub | 1.39Å | 1.38Å | Aromatic |
| N24 | C22 | sing | 1.40Å | 1.45Å | |
| C25 | N24 | sing | 1.35Å | 1.46Å | |
| O26 | C25 | doub | 1.21Å | 1.18Å | |
| C27 | C25 | sing | 1.51Å | 1.69Å | |
| C28 | C27 | sing | 1.53Å | 1.30Å | |
| C22 | C21 | sing | 1.40Å | 1.38Å | Aromatic |
| N29 | C21 | sing | 1.39Å | 1.45Å | |
| C30 | N29 | sing | 1.47Å | 1.45Å | |
| C31 | N29 | sing | 1.47Å | 1.46Å | |
| C32 | C31 | sing | 1.53Å | 1.53Å | |
| N33 | C32 | sing | 1.47Å | 1.46Å | |
| C34 | N33 | sing | 1.47Å | 1.45Å | |
| C35 | N33 | sing | 1.47Å | 1.45Å | |
| N20 | C19 | sing | 1.32Å | 1.31Å | Aromatic |
| O36 | C19 | sing | 1.36Å | 1.38Å | |
| C37 | O36 | sing | 1.43Å | 1.39Å | |
| C38 | C37 | sing | 1.53Å | 1.51Å | |
| F39 | C38 | sing | 1.40Å | 1.36Å | |
| F40 | C38 | sing | 1.40Å | 1.36Å | |
| F41 | C38 | sing | 1.40Å | 1.36Å | |
| N02 | C10 | sing | 1.38Å | 1.36Å | Aromatic |
| C05 | C10 | sing | 1.41Å | 1.37Å | Aromatic |
| C11 | C16 | sing | 1.40Å | 1.38Å | Aromatic |
| C18 | C23 | sing | 1.39Å | 1.38Å | Aromatic |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C30 | H303 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H343 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C35 | H353 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| N17 | H171 | sing | 0.97Å | 1.00Å | |
| N24 | H241 | sing | 0.97Å | 1.00Å | |
| C27 | H2 | sing | 1.09Å | 1.10Å | |
| C28 | H3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | N02 | C03 | 124.9° | 124.9° |
| C01 | N02 | C10 | 124.6° | 124.8° |
| N02 | C01 | H013 | 109.5° | 109.5° |
| N02 | C01 | H012 | 109.5° | 109.5° |
| N02 | C01 | H011 | 109.5° | 109.5° |
| N02 | C03 | C04 | 107.4° | 109.8° |
| C03 | N02 | C10 | 110.5° | 110.3° |
| N02 | C03 | H031 | 126.3° | 125.1° |
| C03 | C04 | C05 | 108.1° | 106.6° |
| C03 | C04 | C11 | 125.3° | 126.7° |
| C04 | C03 | H031 | 126.3° | 125.1° |
| C05 | C06 | C07 | 120.2° | 119.7° |
| C06 | C05 | C04 | 134.8° | 134.0° |
| C06 | C05 | C10 | 119.8° | 120.0° |
| C05 | C06 | H061 | 119.9° | 120.1° |
| C06 | C07 | C08 | 119.9° | 120.3° |
| C07 | C06 | H061 | 119.9° | 120.2° |
| C06 | C07 | H071 | 120.1° | 119.9° |
| C07 | C08 | C09 | 120.1° | 120.6° |
| C08 | C07 | H071 | 120.1° | 119.8° |
| C07 | C08 | H081 | 119.9° | 119.6° |
| C08 | C09 | C10 | 119.8° | 119.9° |
| C09 | C08 | H081 | 120.0° | 119.7° |
| C08 | C09 | H091 | 120.1° | 120.0° |
| C09 | C10 | N02 | 131.3° | 133.2° |
| C09 | C10 | C05 | 120.2° | 119.4° |
| C10 | C09 | H091 | 120.1° | 120.1° |
| C05 | C04 | C11 | 126.7° | 126.7° |
| C04 | C05 | C10 | 105.5° | 106.0° |
| C04 | C11 | N12 | 120.0° | 120.5° |
| C04 | C11 | C16 | 120.5° | 120.6° |
| C11 | N12 | C13 | 121.5° | 120.5° |
| N12 | C11 | C16 | 119.5° | 119.0° |
| N12 | C13 | N14 | 121.4° | 121.7° |
| N12 | C13 | N17 | 121.1° | 119.1° |
| N14 | C15 | C16 | 120.5° | 119.3° |
| C15 | N14 | C13 | 120.2° | 121.0° |
| N14 | C15 | H151 | 119.8° | 120.3° |
| C15 | C16 | C11 | 117.0° | 118.5° |
| C16 | C15 | H151 | 119.8° | 120.4° |
| C15 | C16 | H161 | 121.5° | 120.8° |
| N14 | C13 | N17 | 117.6° | 119.2° |
| C13 | N17 | C18 | 125.6° | 120.0° |
| C13 | N17 | H171 | 117.2° | 120.0° |
| N17 | C18 | C19 | 119.5° | 120.4° |
| N17 | C18 | C23 | 122.7° | 120.4° |
| C18 | N17 | H171 | 117.2° | 120.0° |
| C18 | C19 | N20 | 121.4° | 120.8° |
| C18 | C19 | O36 | 120.5° | 119.6° |
| C19 | C18 | C23 | 117.8° | 119.2° |
| N20 | C21 | C22 | 120.9° | 120.7° |
| N20 | C21 | N29 | 116.6° | 119.6° |
| C21 | N20 | C19 | 122.1° | 121.7° |
| C23 | C22 | N24 | 120.3° | 120.5° |
| C23 | C22 | C21 | 118.0° | 119.1° |
| C22 | C23 | C18 | 120.0° | 118.5° |
| C22 | C23 | H231 | 120.0° | 120.7° |
| C22 | N24 | C25 | 121.7° | 120.0° |
| N24 | C22 | C21 | 121.7° | 120.4° |
| C22 | N24 | H241 | 119.1° | 120.0° |
| N24 | C25 | O26 | 123.2° | 120.0° |
| N24 | C25 | C27 | 126.0° | 120.0° |
| C25 | N24 | H241 | 119.2° | 120.0° |
| O26 | C25 | C27 | 109.6° | 120.0° |
| C25 | C27 | C28 | 111.9° | 109.5° |
| C25 | C27 | H271 | 108.8° | 109.5° |
| C25 | C27 | H2 | 108.8° | 109.4° |
| C28 | C27 | H271 | 108.8° | 109.5° |
| C27 | C28 | H282 | 109.5° | 109.4° |
| C27 | C28 | H281 | 109.5° | 109.4° |
| C28 | C27 | H2 | 108.8° | 109.5° |
| C27 | C28 | H3 | 109.5° | 109.5° |
| C22 | C21 | N29 | 122.6° | 119.6° |
| C21 | N29 | C30 | 118.4° | 111.0° |
| C21 | N29 | C31 | 120.3° | 111.0° |
| C30 | N29 | C31 | 121.3° | 111.0° |
| N29 | C30 | H303 | 109.5° | 109.4° |
| N29 | C30 | H301 | 109.5° | 109.5° |
| N29 | C30 | H302 | 109.5° | 109.5° |
| N29 | C31 | C32 | 111.3° | 109.5° |
| N29 | C31 | H312 | 109.0° | 109.5° |
| N29 | C31 | H311 | 109.0° | 109.5° |
| C31 | C32 | N33 | 110.6° | 109.5° |
| C32 | C31 | H312 | 109.0° | 109.4° |
| C32 | C31 | H311 | 109.0° | 109.5° |
| C31 | C32 | H321 | 109.2° | 109.5° |
| C31 | C32 | H322 | 109.2° | 109.5° |
| C32 | N33 | C34 | 109.7° | 111.0° |
| C32 | N33 | C35 | 109.8° | 111.0° |
| N33 | C32 | H321 | 109.2° | 109.4° |
| N33 | C32 | H322 | 109.2° | 109.4° |
| C34 | N33 | C35 | 110.3° | 111.0° |
| N33 | C34 | H342 | 109.5° | 109.5° |
| N33 | C34 | H341 | 109.4° | 109.5° |
| N33 | C34 | H343 | 109.5° | 109.5° |
| N33 | C35 | H352 | 109.5° | 109.5° |
| N33 | C35 | H353 | 109.5° | 109.5° |
| N33 | C35 | H351 | 109.4° | 109.4° |
| N20 | C19 | O36 | 118.1° | 119.6° |
| C19 | O36 | C37 | 111.3° | 117.0° |
| O36 | C37 | C38 | 107.9° | 109.5° |
| O36 | C37 | H371 | 109.9° | 109.5° |
| O36 | C37 | H372 | 109.9° | 109.5° |
| C37 | C38 | F39 | 110.0° | 109.4° |
| C37 | C38 | F40 | 108.6° | 109.5° |
| C37 | C38 | F41 | 108.8° | 109.4° |
| C38 | C37 | H371 | 109.9° | 109.5° |
| C38 | C37 | H372 | 109.9° | 109.5° |
| F39 | C38 | F40 | 109.9° | 109.5° |
| F39 | C38 | F41 | 109.7° | 109.5° |
| F40 | C38 | F41 | 109.9° | 109.5° |
| N02 | C10 | C05 | 108.5° | 107.4° |
| C11 | C16 | H161 | 121.5° | 120.8° |
| C18 | C23 | H231 | 120.0° | 120.8° |
| H013 | C01 | H012 | 109.4° | 109.5° |
| H013 | C01 | H011 | 109.5° | 109.5° |
| H012 | C01 | H011 | 109.5° | 109.4° |
| H271 | C27 | H2 | 109.5° | 109.5° |
| H282 | C28 | H281 | 109.5° | 109.5° |
| H282 | C28 | H3 | 109.5° | 109.5° |
| H281 | C28 | H3 | 109.4° | 109.5° |
| H303 | C30 | H301 | 109.5° | 109.5° |
| H303 | C30 | H302 | 109.5° | 109.5° |
| H301 | C30 | H302 | 109.5° | 109.5° |
| H312 | C31 | H311 | 109.5° | 109.5° |
| H321 | C32 | H322 | 109.5° | 109.5° |
| H342 | C34 | H341 | 109.4° | 109.5° |
| H342 | C34 | H343 | 109.5° | 109.5° |
| H341 | C34 | H343 | 109.5° | 109.5° |
| H352 | C35 | H353 | 109.4° | 109.5° |
| H352 | C35 | H351 | 109.5° | 109.4° |
| H353 | C35 | H351 | 109.5° | 109.5° |
| H371 | C37 | H372 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | N02 | C03 | C10 | 179.8° | 179.8° |
| C01 | N02 | C03 | C04 | 179.8° | 179.7° |
| C01 | N02 | C10 | C09 | 0.4° | 0.2° |
| C01 | N02 | C10 | C05 | 179.9° | 179.7° |
| N02 | C01 | H013 | H012 | 120.0° | 120.0° |
| N02 | C01 | H013 | H011 | 120.0° | 120.0° |
| N02 | C01 | H012 | H011 | 120.0° | 120.0° |
| C01 | N02 | C03 | H031 | 0.2° | 0.1° |
| N02 | C03 | C04 | H031 | 180.0° | 179.6° |
| C03 | N02 | C10 | C09 | 179.8° | 180.0° |
| N02 | C03 | C04 | C05 | 0.3° | 0.0° |
| N02 | C03 | C04 | C11 | 179.4° | 180.0° |
| C03 | N02 | C10 | C05 | 0.2° | 0.1° |
| C03 | N02 | C01 | H013 | 180.0° | 90.0° |
| C03 | N02 | C01 | H012 | 60.0° | 150.0° |
| C03 | N02 | C01 | H011 | 60.0° | 30.1° |
| C03 | C04 | C05 | C06 | 179.9° | 179.9° |
| C03 | C04 | C05 | C11 | 179.1° | 180.0° |
| C03 | C04 | C11 | N12 | 167.7° | 179.8° |
| C04 | C03 | N02 | C10 | 0.4° | 0.1° |
| C03 | C04 | C05 | C10 | 0.2° | 0.0° |
| C03 | C04 | C11 | C16 | 11.2° | 0.0° |
| C05 | C06 | C07 | H061 | 180.0° | 179.9° |
| C05 | C06 | C07 | C08 | 0.3° | 0.1° |
| C06 | C05 | C10 | C09 | 0.1° | 0.1° |
| C06 | C05 | C04 | C10 | 179.7° | 179.9° |
| C06 | C05 | C04 | C11 | 1.1° | 0.1° |
| C06 | C05 | C10 | N02 | 179.7° | 180.0° |
| C05 | C06 | C07 | H071 | 179.8° | 180.0° |
| C06 | C07 | C08 | H071 | 180.0° | 179.9° |
| C06 | C07 | C08 | C09 | 0.2° | 0.0° |
| C07 | C06 | C05 | C04 | 179.7° | 180.0° |
| C07 | C06 | C05 | C10 | 0.1° | 0.1° |
| C06 | C07 | C08 | H081 | 179.7° | 179.9° |
| C07 | C08 | C09 | H081 | 180.0° | 180.0° |
| C07 | C08 | C09 | C10 | 0.1° | 0.0° |
| C08 | C07 | C06 | H061 | 179.8° | 180.0° |
| C07 | C08 | C09 | H091 | 179.9° | 180.0° |
| C08 | C09 | C10 | H091 | 180.0° | 179.9° |
| C08 | C09 | C10 | N02 | 179.6° | 180.0° |
| C08 | C09 | C10 | C05 | 0.1° | 0.0° |
| C09 | C08 | C07 | H071 | 179.8° | 179.9° |
| C09 | C10 | C05 | C04 | 179.6° | 180.0° |
| C09 | C10 | N02 | C05 | 179.6° | 179.9° |
| C10 | C09 | C08 | H081 | 179.9° | 179.9° |
| C05 | C04 | C11 | N12 | 11.3° | 0.3° |
| C04 | C05 | C10 | N02 | 0.0° | 0.0° |
| C05 | C04 | C11 | C16 | 169.8° | 180.0° |
| C05 | C04 | C03 | H031 | 179.6° | 179.7° |
| C04 | C05 | C06 | H061 | 0.3° | 0.1° |
| C04 | C11 | N12 | C16 | 178.9° | 179.7° |
| C04 | C11 | N12 | C13 | 179.4° | 179.9° |
| C04 | C11 | C16 | C15 | 179.4° | 180.0° |
| C11 | C04 | C05 | C10 | 179.3° | 180.0° |
| C11 | C04 | C03 | H031 | 0.5° | 0.4° |
| C04 | C11 | C16 | H161 | 0.6° | 0.0° |
| N12 | C11 | C16 | C15 | 0.5° | 0.3° |
| C11 | N12 | C13 | N14 | 0.0° | 0.1° |
| C11 | N12 | C13 | N17 | 180.0° | 180.0° |
| N12 | C11 | C16 | H161 | 179.5° | 179.7° |
| N12 | C13 | N14 | C15 | 0.6° | 0.2° |
| N12 | C13 | N14 | N17 | 180.0° | 179.9° |
| N12 | C13 | N17 | C18 | 1.0° | 174.3° |
| C13 | N12 | C11 | C16 | 0.6° | 0.3° |
| N12 | C13 | N17 | H171 | 179.0° | 5.6° |
| N14 | C15 | C16 | H151 | 180.0° | 179.8° |
| C15 | N14 | C13 | N17 | 179.4° | 179.7° |
| N14 | C15 | C16 | C11 | 0.1° | 0.1° |
| N14 | C15 | C16 | H161 | 179.9° | 180.0° |
| C16 | C15 | N14 | C13 | 0.6° | 0.2° |
| C15 | C16 | C11 | H161 | 180.0° | 180.0° |
| N14 | C13 | N17 | C18 | 178.9° | 5.8° |
| C13 | N14 | C15 | H151 | 179.4° | 180.0° |
| N14 | C13 | N17 | H171 | 1.1° | 174.3° |
| C13 | N17 | C18 | H171 | 180.0° | 180.0° |
| C13 | N17 | C18 | C19 | 152.4° | 159.9° |
| C13 | N17 | C18 | C23 | 27.5° | 20.4° |
| N17 | C18 | C19 | C23 | 179.9° | 179.7° |
| N17 | C18 | C23 | C22 | 179.7° | 180.0° |
| N17 | C18 | C19 | N20 | 179.6° | 180.0° |
| N17 | C18 | C19 | O36 | 0.7° | 0.1° |
| N17 | C18 | C23 | H231 | 0.3° | 0.0° |
| C18 | C19 | N20 | C21 | 0.8° | 0.0° |
| C19 | C18 | C23 | C22 | 0.4° | 0.3° |
| C18 | C19 | N20 | O36 | 178.9° | 179.9° |
| C18 | C19 | O36 | C37 | 161.9° | 180.0° |
| C19 | C18 | C23 | H231 | 179.6° | 179.7° |
| C19 | C18 | N17 | H171 | 27.6° | 20.2° |
| N20 | C21 | C22 | C23 | 0.1° | 0.3° |
| N20 | C21 | C22 | N24 | 179.7° | 180.0° |
| N20 | C21 | C22 | N29 | 179.5° | 179.7° |
| N20 | C21 | N29 | C30 | 82.4° | 104.2° |
| N20 | C21 | N29 | C31 | 95.2° | 19.8° |
| C21 | N20 | C19 | O36 | 179.7° | 179.9° |
| C23 | C22 | N24 | C21 | 179.6° | 179.7° |
| C23 | C22 | N24 | C25 | 40.6° | 17.7° |
| C23 | C22 | C21 | N29 | 179.4° | 180.0° |
| C22 | C23 | C18 | H231 | 180.0° | 180.0° |
| C23 | C22 | N24 | H241 | 139.4° | 162.3° |
| C22 | N24 | C25 | H241 | 180.0° | 180.0° |
| C22 | N24 | C25 | O26 | 0.7° | 5.2° |
| C22 | N24 | C25 | C27 | 165.5° | 174.9° |
| N24 | C22 | C21 | N29 | 0.2° | 0.3° |
| N24 | C22 | C23 | C18 | 179.8° | 179.7° |
| N24 | C22 | C23 | H231 | 0.2° | 0.3° |
| N24 | C25 | O26 | C27 | 168.2° | 179.9° |
| N24 | C25 | C27 | C28 | 138.7° | 180.0° |
| C25 | N24 | C22 | C21 | 139.8° | 162.0° |
| N24 | C25 | C27 | H271 | 101.0° | 59.9° |
| N24 | C25 | C27 | H2 | 18.3° | 60.0° |
| O26 | C25 | C27 | C28 | 29.1° | 0.1° |
| O26 | C25 | C27 | H271 | 91.3° | 120.0° |
| O26 | C25 | N24 | H241 | 179.3° | 174.7° |
| O26 | C25 | C27 | H2 | 149.4° | 120.1° |
| C25 | C27 | C28 | H271 | 120.4° | 120.1° |
| C25 | C27 | C28 | H2 | 120.3° | 119.9° |
| C25 | C27 | H271 | H2 | 118.9° | 120.0° |
| C25 | C27 | C28 | H282 | 180.0° | 59.9° |
| C25 | C27 | C28 | H281 | 60.0° | 60.0° |
| C27 | C25 | N24 | H241 | 14.5° | 5.1° |
| C25 | C27 | C28 | H3 | 60.0° | 180.0° |
| C28 | C27 | H271 | H2 | 118.9° | 120.0° |
| C27 | C28 | H282 | H281 | 120.0° | 119.9° |
| C27 | C28 | H282 | H3 | 120.0° | 120.0° |
| C27 | C28 | H281 | H3 | 120.0° | 120.0° |
| C22 | C21 | N29 | C30 | 97.1° | 76.2° |
| C22 | C21 | N29 | C31 | 85.2° | 159.9° |
| C22 | C21 | N20 | C19 | 0.6° | 0.3° |
| C21 | C22 | C23 | C18 | 0.6° | 0.0° |
| C21 | C22 | C23 | H231 | 179.4° | 180.0° |
| C21 | C22 | N24 | H241 | 40.2° | 17.9° |
| C21 | N29 | C30 | C31 | 177.6° | 124.0° |
| C21 | N29 | C31 | C32 | 101.2° | 170.0° |
| N29 | C21 | N20 | C19 | 179.9° | 180.0° |
| C21 | N29 | C30 | H303 | 180.0° | 170.2° |
| C21 | N29 | C30 | H301 | 60.0° | 50.2° |
| C21 | N29 | C30 | H302 | 60.0° | 69.8° |
| C21 | N29 | C31 | H312 | 138.5° | 50.0° |
| C21 | N29 | C31 | H311 | 19.1° | 70.0° |
| C30 | N29 | C31 | C32 | 81.2° | 66.1° |
| N29 | C30 | H303 | H301 | 120.0° | 120.0° |
| N29 | C30 | H303 | H302 | 120.0° | 120.0° |
| N29 | C30 | H301 | H302 | 120.0° | 120.0° |
| C30 | N29 | C31 | H312 | 39.1° | 174.0° |
| C30 | N29 | C31 | H311 | 158.5° | 53.9° |
| N29 | C31 | C32 | H312 | 120.3° | 120.0° |
| N29 | C31 | C32 | H311 | 120.3° | 120.0° |
| N29 | C31 | C32 | N33 | 77.6° | 180.0° |
| C31 | N29 | C30 | H303 | 2.4° | 65.8° |
| C31 | N29 | C30 | H301 | 122.4° | 174.2° |
| C31 | N29 | C30 | H302 | 117.6° | 54.2° |
| N29 | C31 | H312 | H311 | 119.1° | 120.0° |
| N29 | C31 | C32 | H321 | 162.2° | 60.0° |
| N29 | C31 | C32 | H322 | 42.5° | 60.1° |
| C31 | C32 | N33 | H321 | 120.2° | 120.0° |
| C31 | C32 | N33 | H322 | 120.1° | 120.0° |
| C31 | C32 | N33 | C34 | 110.4° | 170.1° |
| C31 | C32 | N33 | C35 | 128.3° | 66.0° |
| C32 | C31 | H312 | H311 | 119.2° | 120.0° |
| C31 | C32 | H321 | H322 | 119.5° | 120.1° |
| C32 | N33 | C34 | C35 | 121.0° | 123.9° |
| N33 | C32 | C31 | H312 | 42.6° | 60.0° |
| N33 | C32 | C31 | H311 | 162.1° | 60.0° |
| N33 | C32 | H321 | H322 | 119.5° | 119.9° |
| C32 | N33 | C34 | H342 | 180.0° | 180.0° |
| C32 | N33 | C34 | H341 | 60.0° | 60.0° |
| C32 | N33 | C34 | H343 | 60.0° | 60.0° |
| C32 | N33 | C35 | H352 | 180.0° | 64.0° |
| C32 | N33 | C35 | H353 | 60.0° | 56.1° |
| C32 | N33 | C35 | H351 | 60.0° | 176.1° |
| C34 | N33 | C32 | H321 | 9.7° | 50.0° |
| C34 | N33 | C32 | H322 | 129.4° | 70.0° |
| N33 | C34 | H342 | H341 | 120.0° | 120.0° |
| N33 | C34 | H342 | H343 | 120.0° | 120.0° |
| N33 | C34 | H341 | H343 | 120.0° | 120.0° |
| C34 | N33 | C35 | H352 | 59.1° | 59.9° |
| C34 | N33 | C35 | H353 | 60.9° | 180.0° |
| C34 | N33 | C35 | H351 | 179.1° | 60.0° |
| C35 | N33 | C32 | H321 | 111.5° | 173.9° |
| C35 | N33 | C32 | H322 | 8.1° | 54.0° |
| C35 | N33 | C34 | H342 | 59.0° | 56.1° |
| C35 | N33 | C34 | H341 | 179.0° | 176.1° |
| C35 | N33 | C34 | H343 | 61.0° | 63.9° |
| N33 | C35 | H352 | H353 | 120.0° | 120.1° |
| N33 | C35 | H352 | H351 | 120.0° | 120.0° |
| N33 | C35 | H353 | H351 | 120.0° | 120.0° |
| N20 | C19 | O36 | C37 | 17.0° | 0.1° |
| N20 | C19 | C18 | C23 | 0.3° | 0.3° |
| C19 | O36 | C37 | C38 | 149.7° | 180.0° |
| O36 | C19 | C18 | C23 | 179.1° | 179.8° |
| C19 | O36 | C37 | H371 | 90.5° | 60.0° |
| C19 | O36 | C37 | H372 | 30.0° | 60.0° |
| O36 | C37 | C38 | H371 | 119.7° | 120.0° |
| O36 | C37 | C38 | H372 | 119.8° | 120.0° |
| O36 | C37 | C38 | F39 | 42.9° | 60.0° |
| O36 | C37 | C38 | F40 | 77.4° | 180.0° |
| O36 | C37 | C38 | F41 | 163.1° | 60.0° |
| O36 | C37 | H371 | H372 | 120.8° | 120.0° |
| C37 | C38 | F39 | F40 | 119.5° | 120.0° |
| C37 | C38 | F39 | F41 | 119.6° | 120.0° |
| C37 | C38 | F40 | F41 | 118.9° | 120.0° |
| C38 | C37 | H371 | H372 | 120.7° | 120.0° |
| F39 | C38 | F40 | F41 | 120.8° | 120.1° |
| F39 | C38 | C37 | H371 | 76.8° | 180.0° |
| F39 | C38 | C37 | H372 | 162.7° | 60.0° |
| F40 | C38 | C37 | H371 | 162.9° | 60.0° |
| F40 | C38 | C37 | H372 | 42.4° | 60.0° |
| F41 | C38 | C37 | H371 | 43.4° | 60.0° |
| F41 | C38 | C37 | H372 | 77.2° | 179.9° |
| C10 | N02 | C01 | H013 | 0.2° | 90.2° |
| C10 | N02 | C01 | H012 | 119.8° | 29.8° |
| C10 | N02 | C01 | H011 | 120.2° | 149.7° |
| C10 | N02 | C03 | H031 | 179.6° | 179.7° |
| N02 | C10 | C09 | H091 | 0.4° | 0.1° |
| C10 | C05 | C06 | H061 | 179.9° | 180.0° |
| C05 | C10 | C09 | H091 | 179.9° | 180.0° |
| C11 | C16 | C15 | H151 | 179.9° | 179.7° |
| C23 | C18 | N17 | H171 | 152.5° | 159.5° |
| H013 | C01 | H012 | H011 | 120.0° | 120.0° |
| H061 | C06 | C07 | H071 | 0.2° | 0.1° |
| H071 | C07 | C08 | H081 | 0.2° | 0.0° |
| H081 | C08 | C09 | H091 | 0.1° | 0.0° |
| H151 | C15 | C16 | H161 | 0.1° | 0.2° |
| H271 | C27 | C28 | H282 | 59.6° | 180.0° |
| H271 | C27 | C28 | H281 | 179.7° | 60.1° |
| H271 | C27 | C28 | H3 | 60.4° | 60.0° |
| H282 | C28 | H281 | H3 | 120.0° | 120.1° |
| H282 | C28 | C27 | H2 | 59.7° | 60.0° |
| H281 | C28 | C27 | H2 | 60.4° | 180.0° |
| H303 | C30 | H301 | H302 | 120.0° | 120.0° |
| H312 | C31 | C32 | H321 | 77.5° | 59.9° |
| H312 | C31 | C32 | H322 | 162.8° | 180.0° |
| H311 | C31 | C32 | H321 | 41.9° | 180.0° |
| H311 | C31 | C32 | H322 | 77.7° | 59.9° |
| H342 | C34 | H341 | H343 | 120.0° | 120.0° |
| H352 | C35 | H353 | H351 | 120.0° | 119.9° |
| H2 | C27 | C28 | H3 | 179.7° | 60.0° |
