A1BEH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N02 | C01 | sing | 1.47Å | 1.48Å | |
| N03 | N02 | sing | 1.40Å | 1.45Å | Aromatic |
| C04 | N03 | doub | 1.31Å | 1.35Å | Aromatic |
| C05 | C04 | sing | 1.41Å | 1.48Å | Aromatic |
| C07 | C06 | doub | 1.40Å | 1.48Å | Aromatic |
| C08 | C07 | sing | 1.36Å | 1.36Å | Aromatic |
| C10 | C09 | sing | 1.53Å | 1.50Å | |
| N11 | C09 | sing | 1.47Å | 1.48Å | |
| C12 | N11 | sing | 1.35Å | 1.50Å | |
| C14 | C13 | doub | 1.40Å | 1.42Å | Aromatic |
| C15 | C14 | sing | 1.51Å | 1.54Å | |
| C16 | C14 | sing | 1.38Å | 1.45Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.42Å | Aromatic |
| C18 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
| C20 | N19 | sing | 1.48Å | 1.46Å | |
| C21 | C20 | sing | 1.56Å | 1.35Å | |
| N22 | C21 | sing | 1.50Å | 1.30Å | |
| C23 | N22 | sing | 1.47Å | 1.46Å | |
| C24 | N22 | sing | 1.48Å | 1.18Å | |
| C25 | C24 | sing | 1.56Å | 1.37Å | |
| C26 | C25 | sing | 1.57Å | 1.51Å | |
| N19 | C18 | sing | 1.40Å | 1.47Å | |
| C27 | C18 | doub | 1.39Å | 1.48Å | Aromatic |
| C13 | C12 | sing | 1.48Å | 1.55Å | |
| O28 | C12 | doub | 1.22Å | 1.15Å | |
| C09 | C08 | sing | 1.51Å | 1.52Å | |
| C29 | C08 | doub | 1.41Å | 1.50Å | Aromatic |
| C30 | C29 | sing | 1.40Å | 1.41Å | Aromatic |
| C31 | C30 | doub | 1.36Å | 1.43Å | Aromatic |
| C32 | C31 | sing | 1.39Å | 1.43Å | Aromatic |
| C33 | C32 | doub | 1.36Å | 1.40Å | Aromatic |
| C34 | C33 | sing | 1.41Å | 1.45Å | Aromatic |
| N35 | C34 | doub | 1.34Å | 1.36Å | Aromatic |
| C06 | C05 | sing | 1.48Å | 1.48Å | |
| C36 | C05 | doub | 1.37Å | 1.41Å | Aromatic |
| N02 | C36 | sing | 1.35Å | 1.35Å | Aromatic |
| C06 | N35 | sing | 1.32Å | 1.37Å | Aromatic |
| C13 | C27 | sing | 1.39Å | 1.39Å | Aromatic |
| N19 | C25 | sing | 1.50Å | 1.50Å | |
| C21 | C26 | sing | 1.57Å | 1.57Å | |
| C29 | C34 | sing | 1.42Å | 1.41Å | Aromatic |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H103 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H153 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | 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 | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C23 | H233 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | 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 | |
| N11 | H111 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | N02 | N03 | 124.9° | 125.9° |
| C01 | N02 | C36 | 124.4° | 125.8° |
| N02 | C01 | H013 | 109.5° | 109.5° |
| N02 | C01 | H012 | 109.5° | 109.4° |
| N02 | C01 | H011 | 109.5° | 109.5° |
| N02 | N03 | C04 | 107.2° | 108.5° |
| N03 | N02 | C36 | 110.7° | 108.3° |
| N03 | C04 | C05 | 107.4° | 108.1° |
| N03 | C04 | H041 | 126.3° | 125.9° |
| C04 | C05 | C06 | 126.6° | 126.3° |
| C04 | C05 | C36 | 107.4° | 107.4° |
| C05 | C04 | H041 | 126.3° | 125.9° |
| C06 | C07 | C08 | 118.7° | 119.9° |
| C07 | C06 | C05 | 119.4° | 119.3° |
| C07 | C06 | N35 | 121.9° | 121.5° |
| C06 | C07 | H071 | 120.6° | 120.1° |
| C07 | C08 | C09 | 120.7° | 120.8° |
| C07 | C08 | C29 | 117.9° | 118.3° |
| C08 | C07 | H071 | 120.6° | 120.1° |
| C10 | C09 | N11 | 109.6° | 109.5° |
| C10 | C09 | C08 | 109.9° | 109.5° |
| C09 | C10 | H101 | 109.5° | 109.5° |
| C09 | C10 | H103 | 109.5° | 109.5° |
| C09 | C10 | H102 | 109.5° | 109.4° |
| C10 | C09 | H091 | 110.1° | 109.5° |
| C09 | N11 | C12 | 118.8° | 120.0° |
| N11 | C09 | C08 | 107.0° | 109.5° |
| N11 | C09 | H091 | 110.4° | 109.4° |
| C09 | N11 | H111 | 120.6° | 120.0° |
| N11 | C12 | C13 | 119.3° | 120.0° |
| N11 | C12 | O28 | 120.4° | 120.0° |
| C12 | N11 | H111 | 120.6° | 120.0° |
| C13 | C14 | C15 | 119.9° | 120.0° |
| C13 | C14 | C16 | 119.8° | 120.0° |
| C14 | C13 | C12 | 120.5° | 120.1° |
| C14 | C13 | C27 | 120.5° | 119.8° |
| C15 | C14 | C16 | 120.4° | 120.0° |
| C14 | C15 | H152 | 109.5° | 109.5° |
| C14 | C15 | H151 | 109.5° | 109.5° |
| C14 | C15 | H153 | 109.5° | 109.5° |
| C14 | C16 | C17 | 119.8° | 120.2° |
| C14 | C16 | H161 | 120.1° | 119.9° |
| C16 | C17 | C18 | 120.2° | 120.2° |
| C16 | C17 | H171 | 119.9° | 119.9° |
| C17 | C16 | H161 | 120.1° | 119.8° |
| C17 | C18 | N19 | 120.0° | 120.0° |
| C17 | C18 | C27 | 120.0° | 120.0° |
| C18 | C17 | H171 | 119.9° | 119.9° |
| N19 | C20 | C21 | 109.6° | 105.1° |
| C20 | N19 | C18 | 126.1° | 111.0° |
| C20 | N19 | C25 | 98.0° | 106.0° |
| N19 | C20 | H202 | 109.5° | 110.3° |
| N19 | C20 | H201 | 109.5° | 110.3° |
| C20 | C21 | N22 | 112.6° | 104.2° |
| C20 | C21 | C26 | 96.3° | 99.6° |
| C21 | C20 | H202 | 109.4° | 110.4° |
| C21 | C20 | H201 | 109.4° | 110.4° |
| C20 | C21 | H211 | 116.3° | 116.3° |
| C21 | N22 | C23 | 110.4° | 111.0° |
| C21 | N22 | C24 | 112.0° | 106.0° |
| N22 | C21 | C26 | 97.9° | 101.0° |
| N22 | C21 | H211 | 117.5° | 116.7° |
| C23 | N22 | C24 | 110.8° | 111.0° |
| N22 | C23 | H233 | 109.5° | 109.5° |
| N22 | C23 | H231 | 109.5° | 109.5° |
| N22 | C23 | H232 | 109.5° | 109.5° |
| N22 | C24 | C25 | 109.5° | 105.1° |
| N22 | C24 | H242 | 109.5° | 110.3° |
| N22 | C24 | H241 | 109.5° | 110.3° |
| C24 | C25 | C26 | 95.0° | 99.7° |
| C24 | C25 | N19 | 112.9° | 104.1° |
| C25 | C24 | H242 | 109.4° | 110.4° |
| C25 | C24 | H241 | 109.4° | 110.4° |
| C24 | C25 | H251 | 117.1° | 116.2° |
| C26 | C25 | N19 | 99.9° | 101.0° |
| C25 | C26 | C21 | 87.7° | 94.3° |
| C25 | C26 | H262 | 114.6° | 112.3° |
| C25 | C26 | H261 | 114.6° | 112.4° |
| C26 | C25 | H251 | 114.3° | 116.5° |
| N19 | C18 | C27 | 120.0° | 120.0° |
| C18 | N19 | C25 | 126.1° | 111.0° |
| C18 | C27 | C13 | 119.7° | 119.8° |
| C18 | C27 | H271 | 120.1° | 120.1° |
| C13 | C12 | O28 | 120.3° | 120.0° |
| C12 | C13 | C27 | 119.0° | 120.1° |
| C09 | C08 | C29 | 121.4° | 120.9° |
| C08 | C09 | H091 | 109.8° | 109.5° |
| C08 | C29 | C30 | 118.9° | 121.2° |
| C08 | C29 | C34 | 120.2° | 119.2° |
| C29 | C30 | C31 | 119.1° | 119.6° |
| C30 | C29 | C34 | 120.9° | 119.6° |
| C29 | C30 | H301 | 120.4° | 120.2° |
| C30 | C31 | C32 | 120.5° | 120.9° |
| C31 | C30 | H301 | 120.5° | 120.2° |
| C30 | C31 | H311 | 119.8° | 119.6° |
| C31 | C32 | C33 | 120.4° | 121.1° |
| C32 | C31 | H311 | 119.8° | 119.6° |
| C31 | C32 | H321 | 119.8° | 119.5° |
| C32 | C33 | C34 | 118.8° | 119.7° |
| C33 | C32 | H321 | 119.8° | 119.5° |
| C32 | C33 | H331 | 120.6° | 120.1° |
| C33 | C34 | N35 | 118.8° | 121.0° |
| C33 | C34 | C29 | 120.4° | 119.1° |
| C34 | C33 | H331 | 120.6° | 120.1° |
| C34 | N35 | C06 | 120.4° | 121.2° |
| N35 | C34 | C29 | 120.8° | 119.9° |
| C06 | C05 | C36 | 126.1° | 126.3° |
| C05 | C06 | N35 | 118.6° | 119.2° |
| C05 | C36 | N02 | 107.3° | 107.6° |
| C05 | C36 | H361 | 126.4° | 126.1° |
| N02 | C36 | H361 | 126.4° | 126.3° |
| C13 | C27 | H271 | 120.2° | 120.1° |
| N19 | C25 | H251 | 114.6° | 116.8° |
| C26 | C21 | H211 | 112.4° | 116.5° |
| C21 | C26 | H262 | 114.6° | 112.3° |
| C21 | C26 | H261 | 114.6° | 112.4° |
| H101 | C10 | H103 | 109.4° | 109.4° |
| H101 | C10 | H102 | 109.4° | 109.5° |
| H103 | C10 | H102 | 109.5° | 109.5° |
| H152 | C15 | H151 | 109.5° | 109.5° |
| H152 | C15 | H153 | 109.4° | 109.4° |
| H151 | C15 | H153 | 109.4° | 109.5° |
| H202 | C20 | H201 | 109.5° | 110.3° |
| H242 | C24 | H241 | 109.5° | 110.3° |
| H262 | C26 | H261 | 109.5° | 112.1° |
| H013 | C01 | H012 | 109.4° | 109.5° |
| H013 | C01 | H011 | 109.5° | 109.5° |
| H012 | C01 | H011 | 109.5° | 109.5° |
| H233 | C23 | H231 | 109.5° | 109.4° |
| H233 | C23 | H232 | 109.4° | 109.5° |
| H231 | C23 | H232 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | N02 | N03 | C36 | 179.9° | 180.0° |
| C01 | N02 | N03 | C04 | 180.0° | 180.0° |
| C01 | N02 | C36 | C05 | 179.8° | 180.0° |
| N02 | C01 | H013 | H012 | 120.0° | 119.9° |
| N02 | C01 | H013 | H011 | 120.0° | 120.0° |
| N02 | C01 | H012 | H011 | 120.0° | 120.0° |
| C01 | N02 | C36 | H361 | 0.2° | 0.0° |
| N02 | N03 | C04 | C05 | 0.2° | 0.0° |
| N03 | N02 | C36 | C05 | 0.2° | 0.0° |
| N03 | N02 | C01 | H013 | 0.0° | 89.9° |
| N03 | N02 | C01 | H012 | 120.0° | 30.0° |
| N03 | N02 | C01 | H011 | 120.0° | 150.0° |
| N02 | N03 | C04 | H041 | 179.8° | 179.8° |
| N03 | N02 | C36 | H361 | 179.9° | 179.9° |
| N03 | C04 | C05 | H041 | 180.0° | 179.7° |
| N03 | C04 | C05 | C06 | 179.5° | 180.0° |
| N03 | C04 | C05 | C36 | 0.3° | 0.0° |
| C04 | N03 | N02 | C36 | 0.0° | 0.0° |
| C04 | C05 | C06 | C07 | 15.5° | 5.3° |
| C04 | C05 | C06 | C36 | 179.0° | 180.0° |
| C04 | C05 | C36 | N02 | 0.3° | 0.0° |
| C04 | C05 | C06 | N35 | 164.4° | 175.0° |
| C04 | C05 | C36 | H361 | 179.8° | 179.9° |
| C06 | C07 | C08 | H071 | 180.0° | 179.9° |
| C06 | C07 | C08 | C09 | 179.7° | 180.0° |
| C06 | C07 | C08 | C29 | 0.5° | 0.0° |
| C07 | C06 | N35 | C34 | 0.1° | 0.5° |
| C07 | C06 | C05 | N35 | 179.9° | 179.7° |
| C07 | C06 | C05 | C36 | 165.4° | 174.7° |
| C07 | C08 | C09 | C10 | 58.3° | 95.0° |
| C07 | C08 | C09 | N11 | 60.6° | 25.0° |
| C07 | C08 | C09 | C29 | 179.2° | 180.0° |
| C07 | C08 | C29 | C30 | 179.8° | 180.0° |
| C08 | C07 | C06 | C05 | 179.9° | 180.0° |
| C08 | C07 | C06 | N35 | 0.2° | 0.3° |
| C07 | C08 | C29 | C34 | 0.6° | 0.0° |
| C07 | C08 | C09 | H091 | 179.6° | 145.0° |
| C10 | C09 | N11 | C08 | 119.1° | 120.0° |
| C10 | C09 | N11 | H091 | 121.5° | 120.0° |
| C10 | C09 | N11 | C12 | 156.6° | 85.0° |
| C10 | C09 | C08 | H091 | 121.3° | 120.0° |
| C10 | C09 | C08 | C29 | 122.5° | 85.0° |
| C09 | C10 | H101 | H103 | 120.0° | 120.0° |
| C09 | C10 | H101 | H102 | 120.0° | 120.0° |
| C09 | C10 | H103 | H102 | 120.0° | 120.0° |
| C10 | C09 | N11 | H111 | 23.4° | 95.0° |
| C09 | N11 | C12 | H111 | 180.0° | 180.0° |
| C09 | N11 | C12 | C13 | 179.3° | 179.9° |
| C09 | N11 | C12 | O28 | 0.6° | 0.0° |
| N11 | C09 | C08 | H091 | 119.8° | 120.0° |
| N11 | C09 | C08 | C29 | 118.6° | 154.9° |
| N11 | C09 | C10 | H101 | 180.0° | 60.0° |
| N11 | C09 | C10 | H103 | 60.0° | 60.0° |
| N11 | C09 | C10 | H102 | 60.0° | 180.0° |
| N11 | C12 | C13 | C14 | 96.3° | 173.8° |
| N11 | C12 | C13 | O28 | 179.9° | 179.9° |
| C12 | N11 | C09 | C08 | 84.3° | 155.0° |
| N11 | C12 | C13 | C27 | 83.4° | 6.5° |
| C12 | N11 | C09 | H091 | 35.1° | 35.0° |
| C13 | C14 | C15 | C16 | 179.8° | 180.0° |
| C13 | C14 | C16 | C17 | 0.1° | 0.0° |
| C14 | C13 | C27 | C18 | 0.3° | 0.2° |
| C14 | C13 | C12 | C27 | 179.8° | 179.8° |
| C14 | C13 | C12 | O28 | 83.7° | 6.3° |
| C13 | C14 | C15 | H152 | 90.1° | 83.2° |
| C13 | C14 | C15 | H151 | 149.9° | 156.9° |
| C13 | C14 | C15 | H153 | 29.9° | 36.8° |
| C13 | C14 | C16 | H161 | 179.9° | 180.0° |
| C14 | C13 | C27 | H271 | 179.7° | 179.7° |
| C15 | C14 | C16 | C17 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 0.2° | 0.0° |
| C15 | C14 | C13 | C27 | 180.0° | 179.8° |
| C14 | C15 | H152 | H151 | 120.0° | 120.0° |
| C14 | C15 | H152 | H153 | 120.0° | 120.0° |
| C14 | C15 | H151 | H153 | 120.0° | 120.0° |
| C15 | C14 | C16 | H161 | 0.1° | 0.0° |
| C14 | C16 | C17 | H161 | 180.0° | 180.0° |
| C14 | C16 | C17 | C18 | 0.3° | 0.3° |
| C16 | C14 | C13 | C12 | 179.9° | 180.0° |
| C16 | C14 | C13 | C27 | 0.2° | 0.2° |
| C16 | C14 | C15 | H152 | 90.1° | 96.8° |
| C16 | C14 | C15 | H151 | 29.9° | 23.2° |
| C16 | C14 | C15 | H153 | 149.9° | 143.2° |
| C14 | C16 | C17 | H171 | 179.8° | 180.0° |
| C16 | C17 | C18 | H171 | 180.0° | 179.8° |
| C16 | C17 | C18 | N19 | 179.8° | 180.0° |
| C16 | C17 | C18 | C27 | 0.4° | 0.3° |
| C17 | C18 | N19 | C20 | 141.0° | 150.0° |
| C17 | C18 | N19 | C27 | 179.4° | 179.7° |
| C17 | C18 | C27 | C13 | 0.5° | 0.0° |
| C17 | C18 | N19 | C25 | 2.9° | 32.3° |
| C18 | C17 | C16 | H161 | 179.8° | 179.7° |
| C17 | C18 | C27 | H271 | 179.5° | 180.0° |
| N19 | C20 | C21 | H202 | 120.0° | 118.9° |
| N19 | C20 | C21 | H201 | 120.0° | 118.9° |
| N19 | C20 | C21 | N22 | 57.3° | 71.1° |
| C20 | N19 | C25 | C24 | 61.6° | 67.0° |
| C20 | N19 | C25 | C26 | 38.2° | 36.1° |
| C20 | N19 | C18 | C25 | 138.1° | 117.6° |
| C20 | N19 | C18 | C27 | 38.4° | 30.3° |
| N19 | C20 | C21 | C26 | 44.0° | 32.9° |
| N19 | C20 | H202 | H201 | 120.0° | 122.1° |
| N19 | C20 | C21 | H211 | 162.9° | 158.9° |
| C20 | N19 | C25 | H251 | 160.9° | 163.5° |
| C20 | C21 | N22 | C26 | 100.3° | 103.0° |
| C20 | C21 | N22 | H211 | 139.3° | 129.7° |
| C20 | C21 | N22 | C23 | 166.5° | 172.5° |
| C20 | C21 | N22 | C24 | 69.6° | 66.9° |
| C20 | C21 | C26 | C25 | 62.7° | 52.2° |
| C21 | C20 | N19 | C18 | 141.9° | 122.5° |
| C21 | C20 | N19 | C25 | 5.0° | 1.8° |
| C20 | C21 | C26 | H211 | 121.9° | 125.9° |
| C21 | C20 | H202 | H201 | 119.9° | 122.2° |
| C20 | C21 | C26 | H262 | 53.3° | 168.4° |
| C20 | C21 | C26 | H261 | 178.8° | 64.2° |
| C21 | N22 | C23 | C24 | 124.7° | 117.6° |
| C21 | N22 | C24 | C25 | 8.2° | 1.9° |
| N22 | C21 | C26 | C25 | 51.2° | 54.5° |
| N22 | C21 | C26 | H211 | 124.2° | 127.5° |
| N22 | C21 | C20 | H202 | 62.7° | 169.9° |
| N22 | C21 | C20 | H201 | 177.3° | 47.8° |
| C21 | N22 | C24 | H242 | 128.2° | 120.8° |
| C21 | N22 | C24 | H241 | 111.8° | 117.1° |
| N22 | C21 | C26 | H262 | 167.3° | 61.8° |
| N22 | C21 | C26 | H261 | 64.9° | 170.8° |
| C21 | N22 | C23 | H233 | 180.0° | 177.6° |
| C21 | N22 | C23 | H231 | 60.0° | 62.5° |
| C21 | N22 | C23 | H232 | 60.0° | 57.5° |
| C23 | N22 | C24 | C25 | 131.9° | 118.8° |
| C23 | N22 | C21 | C26 | 93.2° | 84.5° |
| C23 | N22 | C21 | H211 | 27.2° | 42.8° |
| C23 | N22 | C24 | H242 | 108.1° | 0.2° |
| C23 | N22 | C24 | H241 | 11.9° | 122.2° |
| N22 | C23 | H233 | H231 | 120.0° | 120.0° |
| N22 | C23 | H233 | H232 | 120.0° | 120.0° |
| N22 | C23 | H231 | H232 | 120.0° | 120.0° |
| N22 | C24 | C25 | H242 | 120.0° | 118.9° |
| N22 | C24 | C25 | H241 | 120.0° | 118.9° |
| N22 | C24 | C25 | C26 | 44.6° | 32.9° |
| N22 | C24 | C25 | N19 | 58.5° | 71.2° |
| C24 | N22 | C21 | C26 | 30.7° | 36.1° |
| C24 | N22 | C21 | H211 | 151.1° | 163.4° |
| N22 | C24 | H242 | H241 | 120.0° | 122.0° |
| C24 | N22 | C23 | H233 | 55.3° | 60.0° |
| C24 | N22 | C23 | H231 | 175.3° | 179.9° |
| C24 | N22 | C23 | H232 | 64.7° | 60.1° |
| N22 | C24 | C25 | H251 | 165.2° | 158.9° |
| C24 | C25 | C26 | N19 | 114.3° | 106.6° |
| C24 | C25 | C26 | H251 | 122.8° | 125.9° |
| C24 | C25 | N19 | C18 | 85.4° | 53.7° |
| C24 | C25 | N19 | H251 | 137.5° | 129.6° |
| C24 | C25 | C26 | C21 | 53.5° | 52.1° |
| C25 | C24 | H242 | H241 | 119.9° | 122.2° |
| C24 | C25 | C26 | H262 | 169.6° | 64.1° |
| C24 | C25 | C26 | H261 | 62.6° | 168.4° |
| C26 | C25 | N19 | C18 | 174.8° | 156.7° |
| C26 | C25 | N19 | H251 | 122.7° | 127.4° |
| C25 | C26 | C21 | H262 | 116.1° | 116.2° |
| C25 | C26 | C21 | H261 | 116.1° | 116.3° |
| C25 | C26 | C21 | H211 | 175.4° | 178.0° |
| C26 | C25 | C24 | H242 | 164.6° | 86.1° |
| C26 | C25 | C24 | H241 | 75.5° | 151.8° |
| C25 | C26 | H262 | H261 | 130.4° | 127.6° |
| N19 | C18 | C27 | C13 | 179.9° | 179.7° |
| N19 | C18 | C17 | H171 | 0.2° | 0.3° |
| C18 | N19 | C20 | H202 | 21.9° | 118.6° |
| C18 | N19 | C20 | H201 | 98.1° | 3.5° |
| C18 | N19 | C25 | H251 | 52.1° | 75.9° |
| N19 | C18 | C27 | H271 | 0.1° | 0.3° |
| C18 | C27 | C13 | C12 | 179.9° | 180.0° |
| C18 | C27 | C13 | H271 | 180.0° | 179.9° |
| C27 | C18 | N19 | C25 | 176.5° | 148.0° |
| C27 | C18 | C17 | H171 | 179.6° | 180.0° |
| C12 | C13 | C27 | H271 | 0.1° | 0.1° |
| C13 | C12 | N11 | H111 | 0.7° | 0.0° |
| O28 | C12 | C13 | C27 | 96.5° | 173.5° |
| O28 | C12 | N11 | H111 | 179.4° | 179.9° |
| C09 | C08 | C29 | C30 | 0.6° | 0.0° |
| C09 | C08 | C29 | C34 | 179.8° | 180.0° |
| C08 | C09 | C10 | H101 | 62.7° | 60.0° |
| C08 | C09 | C10 | H103 | 57.3° | 180.0° |
| C08 | C09 | C10 | H102 | 177.3° | 60.0° |
| C09 | C08 | C07 | H071 | 0.3° | 0.1° |
| C08 | C09 | N11 | H111 | 95.7° | 25.0° |
| C08 | C29 | C30 | C34 | 179.6° | 180.0° |
| C08 | C29 | C30 | C31 | 179.5° | 180.0° |
| C08 | C29 | C34 | C33 | 179.7° | 180.0° |
| C08 | C29 | C34 | N35 | 0.4° | 0.3° |
| C29 | C08 | C07 | H071 | 179.5° | 179.9° |
| C29 | C08 | C09 | H091 | 1.2° | 35.0° |
| C08 | C29 | C30 | H301 | 0.5° | 0.0° |
| C29 | C30 | C31 | H301 | 180.0° | 180.0° |
| C29 | C30 | C31 | C32 | 0.2° | 0.0° |
| C30 | C29 | C34 | C33 | 0.1° | 0.0° |
| C30 | C29 | C34 | N35 | 179.9° | 179.7° |
| C29 | C30 | C31 | H311 | 179.8° | 180.0° |
| C30 | C31 | C32 | H311 | 180.0° | 180.0° |
| C30 | C31 | C32 | C33 | 0.2° | 0.0° |
| C31 | C30 | C29 | C34 | 0.0° | 0.0° |
| C30 | C31 | C32 | H321 | 179.8° | 179.9° |
| C31 | C32 | C33 | H321 | 180.0° | 179.9° |
| C31 | C32 | C33 | C34 | 0.1° | 0.0° |
| C32 | C31 | C30 | H301 | 179.8° | 180.0° |
| C31 | C32 | C33 | H331 | 179.9° | 180.0° |
| C32 | C33 | C34 | H331 | 180.0° | 180.0° |
| C32 | C33 | C34 | N35 | 180.0° | 179.7° |
| C32 | C33 | C34 | C29 | 0.1° | 0.0° |
| C33 | C32 | C31 | H311 | 179.8° | 180.0° |
| C33 | C34 | N35 | C29 | 179.9° | 179.6° |
| C33 | C34 | N35 | C06 | 180.0° | 179.8° |
| C34 | C33 | C32 | H321 | 179.9° | 179.9° |
| C34 | N35 | C06 | C05 | 179.9° | 179.7° |
| N35 | C34 | C33 | H331 | 0.0° | 0.3° |
| C06 | C05 | C36 | N02 | 179.5° | 180.0° |
| C06 | C05 | C04 | H041 | 0.5° | 0.3° |
| C05 | C06 | C07 | H071 | 0.1° | 0.1° |
| C06 | C05 | C36 | H361 | 0.6° | 0.1° |
| C05 | C36 | N02 | H361 | 180.0° | 179.9° |
| C36 | C05 | C06 | N35 | 14.7° | 5.0° |
| C36 | C05 | C04 | H041 | 179.7° | 179.7° |
| C36 | N02 | C01 | H013 | 179.9° | 90.0° |
| C36 | N02 | C01 | H012 | 59.9° | 150.0° |
| C36 | N02 | C01 | H011 | 60.1° | 30.0° |
| C06 | N35 | C34 | C29 | 0.1° | 0.6° |
| N35 | C06 | C07 | H071 | 179.8° | 179.8° |
| N19 | C25 | C26 | C21 | 60.8° | 54.5° |
| C25 | N19 | C20 | H202 | 125.0° | 120.8° |
| C25 | N19 | C20 | H201 | 115.0° | 117.1° |
| N19 | C25 | C24 | H242 | 61.6° | 169.9° |
| N19 | C25 | C24 | H241 | 178.5° | 47.7° |
| N19 | C25 | C26 | H262 | 55.3° | 170.7° |
| N19 | C25 | C26 | H261 | 176.9° | 61.9° |
| C26 | C21 | C20 | H202 | 164.1° | 86.0° |
| C26 | C21 | C20 | H201 | 76.0° | 151.8° |
| C21 | C26 | H262 | H261 | 130.4° | 127.6° |
| C21 | C26 | C25 | H251 | 176.3° | 178.0° |
| C34 | C29 | C30 | H301 | 180.0° | 180.0° |
| C29 | C34 | C33 | H331 | 179.9° | 180.0° |
| H101 | C10 | H103 | H102 | 120.0° | 120.0° |
| H101 | C10 | C09 | H091 | 58.4° | 180.0° |
| H103 | C10 | C09 | H091 | 178.4° | 60.0° |
| H102 | C10 | C09 | H091 | 61.6° | 60.0° |
| H152 | C15 | H151 | H153 | 119.9° | 120.0° |
| H171 | C17 | C16 | H161 | 0.2° | 0.0° |
| H202 | C20 | C21 | H211 | 77.0° | 40.0° |
| H201 | C20 | C21 | H211 | 42.9° | 82.2° |
| H211 | C21 | C26 | H262 | 68.6° | 65.8° |
| H211 | C21 | C26 | H261 | 59.3° | 61.7° |
| H242 | C24 | C25 | H251 | 74.8° | 40.0° |
| H241 | C24 | C25 | H251 | 45.2° | 82.2° |
| H262 | C26 | C25 | H251 | 67.6° | 61.7° |
| H261 | C26 | C25 | H251 | 60.2° | 65.7° |
| H013 | C01 | H012 | H011 | 120.0° | 120.1° |
| H091 | C09 | N11 | H111 | 144.9° | 145.0° |
| H233 | C23 | H231 | H232 | 120.0° | 120.0° |
| H301 | C30 | C31 | H311 | 0.2° | 0.0° |
| H311 | C31 | C32 | H321 | 0.2° | 0.0° |
| H321 | C32 | C33 | H331 | 0.1° | 0.1° |
