D0W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O35 | C33 | doub | 1.21Å | 1.26Å | |
| C31 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C26 | sing | 1.51Å | 1.53Å | |
| C25 | C24 | sing | 1.53Å | 1.53Å | |
| C33 | O34 | sing | 1.34Å | 1.27Å | |
| C33 | C24 | sing | 1.51Å | 1.52Å | |
| C30 | C29 | sing | 1.39Å | 1.39Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | N23 | sing | 1.46Å | 1.45Å | |
| C29 | O32 | sing | 1.36Å | 1.41Å | |
| C29 | C28 | doub | 1.39Å | 1.38Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.38Å | Aromatic |
| N23 | C21 | sing | 1.35Å | 1.42Å | |
| O22 | C21 | doub | 1.21Å | 1.20Å | |
| C21 | C16 | sing | 1.51Å | 1.54Å | |
| C17 | C18 | sing | 1.54Å | 1.58Å | |
| C17 | C16 | sing | 1.54Å | 1.62Å | |
| C19 | C18 | sing | 1.54Å | 1.40Å | |
| C19 | C20 | sing | 1.55Å | 1.67Å | |
| C16 | C20 | sing | 1.55Å | 1.39Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| O38 | C36 | doub | 1.21Å | 1.26Å | |
| C14 | C36 | sing | 1.51Å | 1.53Å | |
| C14 | C13 | sing | 1.53Å | 1.54Å | |
| C36 | O37 | sing | 1.34Å | 1.27Å | |
| C13 | N12 | sing | 1.46Å | 1.45Å | |
| N12 | C10 | sing | 1.35Å | 1.46Å | |
| C10 | O11 | doub | 1.21Å | 1.18Å | |
| C10 | C05 | sing | 1.51Å | 1.53Å | |
| C05 | C06 | sing | 1.53Å | 1.53Å | |
| C05 | N04 | sing | 1.47Å | 1.45Å | |
| C06 | C07 | sing | 1.51Å | 1.52Å | |
| O09 | C07 | doub | 1.21Å | 1.26Å | |
| O03 | C02 | doub | 1.21Å | 1.19Å | |
| C07 | O08 | sing | 1.34Å | 1.26Å | |
| N04 | C02 | sing | 1.35Å | 1.45Å | |
| C02 | C01 | sing | 1.51Å | 1.53Å | |
| N12 | H121 | sing | 0.97Å | 1.00Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.08Å | 1.08Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | 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 | |
| N04 | H041 | sing | 0.97Å | 1.00Å | |
| N23 | H231 | sing | 0.97Å | 1.00Å | |
| O08 | H1 | sing | 0.97Å | 0.95Å | |
| O32 | H321 | sing | 0.97Å | 0.95Å | |
| O34 | H2 | sing | 0.97Å | 0.95Å | |
| O37 | H3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O35 | C33 | O34 | 120.3° | 120.0° |
| O35 | C33 | C24 | 119.6° | 120.0° |
| C30 | C31 | C26 | 120.1° | 120.1° |
| C31 | C30 | C29 | 119.3° | 120.0° |
| C31 | C30 | H301 | 120.4° | 120.0° |
| C30 | C31 | H311 | 120.0° | 120.0° |
| C31 | C26 | C25 | 120.4° | 120.0° |
| C31 | C26 | C27 | 120.4° | 120.1° |
| C26 | C31 | H311 | 120.0° | 120.0° |
| C26 | C25 | C24 | 115.5° | 109.5° |
| C25 | C26 | C27 | 119.2° | 119.9° |
| C26 | C25 | H252 | 108.0° | 109.5° |
| C26 | C25 | H251 | 107.9° | 109.4° |
| C25 | C24 | C33 | 110.1° | 109.5° |
| C25 | C24 | N23 | 112.4° | 109.5° |
| C25 | C24 | H241 | 109.4° | 109.4° |
| C24 | C25 | H252 | 108.0° | 109.5° |
| C24 | C25 | H251 | 108.0° | 109.5° |
| O34 | C33 | C24 | 120.1° | 120.0° |
| C33 | O34 | H2 | 109.5° | 116.9° |
| C33 | C24 | N23 | 105.1° | 109.5° |
| C33 | C24 | H241 | 109.4° | 109.4° |
| C30 | C29 | O32 | 121.4° | 120.1° |
| C30 | C29 | C28 | 120.1° | 119.8° |
| C29 | C30 | H301 | 120.4° | 120.0° |
| C26 | C27 | C28 | 119.7° | 120.1° |
| C26 | C27 | H271 | 120.2° | 120.0° |
| C24 | N23 | C21 | 121.1° | 120.0° |
| N23 | C24 | H241 | 110.4° | 109.4° |
| C24 | N23 | H231 | 119.4° | 120.0° |
| O32 | C29 | C28 | 118.5° | 120.0° |
| C29 | O32 | H321 | 109.5° | 114.0° |
| C29 | C28 | C27 | 120.5° | 119.9° |
| C29 | C28 | H281 | 119.8° | 120.0° |
| C27 | C28 | H281 | 119.8° | 120.1° |
| C28 | C27 | H271 | 120.1° | 120.0° |
| N23 | C21 | O22 | 122.1° | 120.0° |
| N23 | C21 | C16 | 117.1° | 120.0° |
| C21 | N23 | H231 | 119.4° | 120.0° |
| O22 | C21 | C16 | 120.8° | 120.0° |
| C21 | C16 | C17 | 103.0° | 110.5° |
| C21 | C16 | C20 | 114.3° | 110.5° |
| C21 | C16 | C15 | 113.6° | 110.4° |
| C18 | C17 | C16 | 105.0° | 106.6° |
| C17 | C18 | C19 | 106.5° | 106.6° |
| C18 | C17 | H172 | 110.6° | 110.0° |
| C18 | C17 | H171 | 110.6° | 110.0° |
| C17 | C18 | H181 | 110.2° | 110.0° |
| C17 | C18 | H182 | 110.2° | 110.0° |
| C17 | C16 | C20 | 106.5° | 104.2° |
| C17 | C16 | C15 | 106.1° | 110.5° |
| C16 | C17 | H172 | 110.6° | 110.1° |
| C16 | C17 | H171 | 110.6° | 110.0° |
| C18 | C19 | C20 | 104.7° | 104.2° |
| C19 | C18 | H181 | 110.2° | 110.0° |
| C19 | C18 | H182 | 110.2° | 110.0° |
| C18 | C19 | H192 | 110.7° | 110.5° |
| C18 | C19 | H191 | 110.7° | 110.5° |
| C19 | C20 | C16 | 106.6° | 102.7° |
| C19 | C20 | H202 | 110.2° | 110.8° |
| C19 | C20 | H201 | 110.2° | 110.9° |
| C20 | C19 | H192 | 110.6° | 110.4° |
| C20 | C19 | H191 | 110.7° | 110.4° |
| C20 | C16 | C15 | 112.3° | 110.6° |
| C16 | C20 | H202 | 110.2° | 110.7° |
| C16 | C20 | H201 | 110.2° | 110.7° |
| C16 | C15 | C14 | 115.9° | 109.5° |
| C16 | C15 | H151 | 107.8° | 109.4° |
| C16 | C15 | H152 | 107.9° | 109.5° |
| C15 | C14 | C36 | 111.4° | 109.5° |
| C15 | C14 | C13 | 105.9° | 109.5° |
| C14 | C15 | H151 | 107.8° | 109.5° |
| C14 | C15 | H152 | 107.8° | 109.5° |
| C15 | C14 | H141 | 109.7° | 109.5° |
| O38 | C36 | C14 | 120.4° | 120.0° |
| O38 | C36 | O37 | 117.4° | 120.0° |
| C36 | C14 | C13 | 110.6° | 109.4° |
| C14 | C36 | O37 | 122.2° | 120.0° |
| C36 | C14 | H141 | 109.7° | 109.5° |
| C14 | C13 | N12 | 111.9° | 109.5° |
| C14 | C13 | H131 | 108.9° | 109.4° |
| C14 | C13 | H132 | 108.8° | 109.4° |
| C13 | C14 | H141 | 109.6° | 109.4° |
| C36 | O37 | H3 | 109.5° | 117.1° |
| C13 | N12 | C10 | 119.3° | 120.0° |
| C13 | N12 | H121 | 120.4° | 120.0° |
| N12 | C13 | H131 | 108.9° | 109.5° |
| N12 | C13 | H132 | 108.9° | 109.5° |
| N12 | C10 | O11 | 119.5° | 120.0° |
| N12 | C10 | C05 | 122.6° | 120.0° |
| C10 | N12 | H121 | 120.4° | 120.0° |
| O11 | C10 | C05 | 117.8° | 120.0° |
| C10 | C05 | C06 | 109.0° | 109.5° |
| C10 | C05 | N04 | 108.2° | 109.5° |
| C10 | C05 | H051 | 109.9° | 109.5° |
| C06 | C05 | N04 | 108.9° | 109.5° |
| C05 | C06 | C07 | 112.4° | 109.5° |
| C06 | C05 | H051 | 109.8° | 109.4° |
| C05 | C06 | H061 | 108.8° | 109.4° |
| C05 | C06 | H062 | 108.7° | 109.4° |
| C05 | N04 | C02 | 120.4° | 120.0° |
| N04 | C05 | H051 | 111.0° | 109.5° |
| C05 | N04 | H041 | 119.8° | 120.0° |
| C06 | C07 | O09 | 119.4° | 119.9° |
| C06 | C07 | O08 | 119.8° | 120.0° |
| C07 | C06 | H061 | 108.7° | 109.5° |
| C07 | C06 | H062 | 108.8° | 109.5° |
| O09 | C07 | O08 | 120.7° | 120.0° |
| O03 | C02 | N04 | 119.8° | 120.0° |
| O03 | C02 | C01 | 120.8° | 120.0° |
| C07 | O08 | H1 | 109.5° | 117.0° |
| N04 | C02 | C01 | 119.3° | 120.0° |
| C02 | N04 | H041 | 119.8° | 120.0° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.4° |
| C02 | C01 | H013 | 109.5° | 109.4° |
| H131 | C13 | H132 | 109.4° | 109.4° |
| H151 | C15 | H152 | 109.5° | 109.5° |
| H172 | C17 | H171 | 109.5° | 110.1° |
| H202 | C20 | H201 | 109.4° | 110.7° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H061 | C06 | H062 | 109.4° | 109.5° |
| H181 | C18 | H182 | 109.5° | 110.0° |
| H192 | C19 | H191 | 109.5° | 110.6° |
| H252 | C25 | H251 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O35 | C33 | C24 | C25 | 82.4° | 120.0° |
| O35 | C33 | O34 | C24 | 179.9° | 179.9° |
| O35 | C33 | C24 | N23 | 156.4° | 0.1° |
| O35 | C33 | C24 | H241 | 37.8° | 120.0° |
| O35 | C33 | O34 | H2 | 0.0° | 0.0° |
| C30 | C31 | C26 | H311 | 180.0° | 180.0° |
| C30 | C31 | C26 | C25 | 179.3° | 179.7° |
| C31 | C30 | C29 | H301 | 180.0° | 179.7° |
| C30 | C31 | C26 | C27 | 0.4° | 0.0° |
| C31 | C30 | C29 | O32 | 179.8° | 179.7° |
| C31 | C30 | C29 | C28 | 0.5° | 0.8° |
| C31 | C26 | C25 | C27 | 179.7° | 179.7° |
| C31 | C26 | C25 | C24 | 90.1° | 90.3° |
| C26 | C31 | C30 | C29 | 0.7° | 0.5° |
| C31 | C26 | C27 | C28 | 0.2° | 0.3° |
| C31 | C26 | C25 | H252 | 149.0° | 149.7° |
| C31 | C26 | C25 | H251 | 30.8° | 29.7° |
| C31 | C26 | C27 | H271 | 179.8° | 179.8° |
| C26 | C31 | C30 | H301 | 179.2° | 179.8° |
| C26 | C25 | C24 | H252 | 120.9° | 120.0° |
| C26 | C25 | C24 | H251 | 120.9° | 120.0° |
| C26 | C25 | C24 | C33 | 91.5° | 175.0° |
| C26 | C25 | C24 | N23 | 25.3° | 65.0° |
| C25 | C26 | C27 | C28 | 179.9° | 180.0° |
| C26 | C25 | C24 | H241 | 148.3° | 55.0° |
| C26 | C25 | H252 | H251 | 117.2° | 119.9° |
| C25 | C26 | C27 | H271 | 0.1° | 0.1° |
| C25 | C26 | C31 | H311 | 0.7° | 0.2° |
| C25 | C24 | C33 | O34 | 97.7° | 59.9° |
| C25 | C24 | C33 | N23 | 121.3° | 120.1° |
| C25 | C24 | C33 | H241 | 120.2° | 120.0° |
| C24 | C25 | C26 | C27 | 90.2° | 90.0° |
| C25 | C24 | N23 | H241 | 122.4° | 120.0° |
| C25 | C24 | N23 | C21 | 170.8° | 154.9° |
| C24 | C25 | H252 | H251 | 117.3° | 120.0° |
| C25 | C24 | N23 | H231 | 9.1° | 25.0° |
| O34 | C33 | C24 | N23 | 23.6° | 180.0° |
| O34 | C33 | C24 | H241 | 142.1° | 60.0° |
| C33 | C24 | N23 | H241 | 117.9° | 120.0° |
| C33 | C24 | N23 | C21 | 69.5° | 85.0° |
| C33 | C24 | C25 | H252 | 147.6° | 65.0° |
| C33 | C24 | C25 | H251 | 29.4° | 55.0° |
| C33 | C24 | N23 | H231 | 110.6° | 95.0° |
| C24 | C33 | O34 | H2 | 179.9° | 179.9° |
| C30 | C29 | O32 | C28 | 179.7° | 179.5° |
| C30 | C29 | C28 | C27 | 0.1° | 0.5° |
| C30 | C29 | C28 | H281 | 179.9° | 179.5° |
| C29 | C30 | C31 | H311 | 179.3° | 179.5° |
| C30 | C29 | O32 | H321 | 180.0° | 89.5° |
| C26 | C27 | C28 | C29 | 0.5° | 0.0° |
| C26 | C27 | C28 | H271 | 180.0° | 179.9° |
| C26 | C27 | C28 | H281 | 179.5° | 180.0° |
| C27 | C26 | C25 | H252 | 30.7° | 30.0° |
| C27 | C26 | C25 | H251 | 148.9° | 150.0° |
| C27 | C26 | C31 | H311 | 179.6° | 180.0° |
| C24 | N23 | C21 | H231 | 180.0° | 180.0° |
| C24 | N23 | C21 | O22 | 1.1° | 5.6° |
| C24 | N23 | C21 | C16 | 176.3° | 174.4° |
| N23 | C24 | C25 | H252 | 95.6° | 55.0° |
| N23 | C24 | C25 | H251 | 146.2° | 175.0° |
| O32 | C29 | C28 | C27 | 179.6° | 180.0° |
| O32 | C29 | C28 | H281 | 0.4° | 0.1° |
| O32 | C29 | C30 | H301 | 0.2° | 0.0° |
| C29 | C28 | C27 | H281 | 180.0° | 180.0° |
| C29 | C28 | C27 | H271 | 179.6° | 180.0° |
| C28 | C29 | C30 | H301 | 179.5° | 179.5° |
| C28 | C29 | O32 | H321 | 0.3° | 90.0° |
| N23 | C21 | O22 | C16 | 177.3° | 180.0° |
| N23 | C21 | C16 | C17 | 93.1° | 59.0° |
| N23 | C21 | C16 | C20 | 21.9° | 173.8° |
| N23 | C21 | C16 | C15 | 152.6° | 63.6° |
| C21 | N23 | C24 | H241 | 48.4° | 35.0° |
| O22 | C21 | C16 | C17 | 84.3° | 121.1° |
| O22 | C21 | C16 | C20 | 160.6° | 6.3° |
| O22 | C21 | C16 | C15 | 30.0° | 116.4° |
| O22 | C21 | N23 | H231 | 178.8° | 174.4° |
| C21 | C16 | C17 | C18 | 119.2° | 95.1° |
| C21 | C16 | C17 | C20 | 120.5° | 118.7° |
| C21 | C16 | C17 | C15 | 119.6° | 122.5° |
| C21 | C16 | C20 | C19 | 94.0° | 80.8° |
| C21 | C16 | C20 | C15 | 131.3° | 122.5° |
| C21 | C16 | C15 | C14 | 59.8° | 54.1° |
| C21 | C16 | C15 | H151 | 61.1° | 174.1° |
| C21 | C16 | C15 | H152 | 179.2° | 65.9° |
| C21 | C16 | C17 | H172 | 0.1° | 145.7° |
| C21 | C16 | C17 | H171 | 121.6° | 24.2° |
| C21 | C16 | C20 | H202 | 146.5° | 37.5° |
| C21 | C16 | C20 | H201 | 25.6° | 160.7° |
| C16 | C21 | N23 | H231 | 3.8° | 5.6° |
| C18 | C17 | C16 | H172 | 119.3° | 119.3° |
| C18 | C17 | C16 | H171 | 119.3° | 119.3° |
| C17 | C18 | C19 | H181 | 119.5° | 119.3° |
| C17 | C18 | C19 | H182 | 119.5° | 119.3° |
| C17 | C18 | C19 | C20 | 31.0° | 23.6° |
| C18 | C17 | C16 | C20 | 1.4° | 23.6° |
| C18 | C17 | C16 | C15 | 121.2° | 142.4° |
| C18 | C17 | H172 | H171 | 122.0° | 121.4° |
| C17 | C18 | H181 | H182 | 121.3° | 121.4° |
| C17 | C18 | C19 | H192 | 150.2° | 95.0° |
| C17 | C18 | C19 | H191 | 88.3° | 142.3° |
| C16 | C17 | C18 | C19 | 20.4° | 0.0° |
| C17 | C16 | C20 | C19 | 19.0° | 37.9° |
| C17 | C16 | C20 | C15 | 115.7° | 118.8° |
| C17 | C16 | C15 | C14 | 172.3° | 176.7° |
| C17 | C16 | C15 | H151 | 51.3° | 63.3° |
| C17 | C16 | C15 | H152 | 66.8° | 56.6° |
| C16 | C17 | H172 | H171 | 122.1° | 121.4° |
| C17 | C16 | C20 | H202 | 100.5° | 156.2° |
| C17 | C16 | C20 | H201 | 138.6° | 80.6° |
| C16 | C17 | C18 | H181 | 99.1° | 119.3° |
| C16 | C17 | C18 | H182 | 140.0° | 119.3° |
| C18 | C19 | C20 | H192 | 119.2° | 118.7° |
| C18 | C19 | C20 | H191 | 119.2° | 118.7° |
| C18 | C19 | C20 | C16 | 33.2° | 37.9° |
| C19 | C18 | C17 | H172 | 98.9° | 119.3° |
| C19 | C18 | C17 | H171 | 139.7° | 119.3° |
| C18 | C19 | C20 | H202 | 86.3° | 156.2° |
| C18 | C19 | C20 | H201 | 152.8° | 80.4° |
| C19 | C18 | H181 | H182 | 121.4° | 121.4° |
| C18 | C19 | H192 | H191 | 122.3° | 122.7° |
| C19 | C20 | C16 | H202 | 119.6° | 118.3° |
| C19 | C20 | C16 | H201 | 119.6° | 118.5° |
| C19 | C20 | C16 | C15 | 134.8° | 156.7° |
| C19 | C20 | H202 | H201 | 121.3° | 123.5° |
| C20 | C19 | C18 | H181 | 88.6° | 95.7° |
| C20 | C19 | C18 | H182 | 150.5° | 142.9° |
| C20 | C19 | H192 | H191 | 122.2° | 122.6° |
| C20 | C16 | C15 | C14 | 71.8° | 68.4° |
| C20 | C16 | C15 | H151 | 167.3° | 51.6° |
| C20 | C16 | C15 | H152 | 49.1° | 171.5° |
| C20 | C16 | C17 | H172 | 120.6° | 95.7° |
| C20 | C16 | C17 | H171 | 117.9° | 142.9° |
| C16 | C20 | H202 | H201 | 121.3° | 123.2° |
| C16 | C20 | C19 | H192 | 152.4° | 80.7° |
| C16 | C20 | C19 | H191 | 86.0° | 156.6° |
| C16 | C15 | C14 | H151 | 120.9° | 119.9° |
| C16 | C15 | C14 | H152 | 120.9° | 120.0° |
| C16 | C15 | C14 | C36 | 60.4° | 62.7° |
| C16 | C15 | C14 | C13 | 179.3° | 177.3° |
| C16 | C15 | H151 | H152 | 117.1° | 119.9° |
| C15 | C16 | C17 | H172 | 119.5° | 23.2° |
| C15 | C16 | C17 | H171 | 1.9° | 98.3° |
| C15 | C16 | C20 | H202 | 15.2° | 85.0° |
| C15 | C16 | C20 | H201 | 105.7° | 38.2° |
| C16 | C15 | C14 | H141 | 61.2° | 57.3° |
| C15 | C14 | C36 | O38 | 119.0° | 49.0° |
| C15 | C14 | C36 | C13 | 117.5° | 120.0° |
| C15 | C14 | C36 | H141 | 121.6° | 120.0° |
| C15 | C14 | C13 | H141 | 118.2° | 120.0° |
| C15 | C14 | C36 | O37 | 61.2° | 130.9° |
| C15 | C14 | C13 | N12 | 172.8° | 175.0° |
| C15 | C14 | C13 | H131 | 66.8° | 65.0° |
| C15 | C14 | C13 | H132 | 52.4° | 55.0° |
| C14 | C15 | H151 | H152 | 117.1° | 120.1° |
| O38 | C36 | C14 | O37 | 179.7° | 179.9° |
| O38 | C36 | C14 | C13 | 123.5° | 71.0° |
| O38 | C36 | C14 | H141 | 2.6° | 169.0° |
| O38 | C36 | O37 | H3 | 0.0° | 0.1° |
| C36 | C14 | C13 | H141 | 121.0° | 120.0° |
| C36 | C14 | C13 | N12 | 52.0° | 65.0° |
| C36 | C14 | C13 | H131 | 172.4° | 55.1° |
| C36 | C14 | C13 | H132 | 68.4° | 175.0° |
| C36 | C14 | C15 | H151 | 178.7° | 57.3° |
| C36 | C14 | C15 | H152 | 60.5° | 177.3° |
| C14 | C36 | O37 | H3 | 179.7° | 180.0° |
| C13 | C14 | C36 | O37 | 56.2° | 109.1° |
| C14 | C13 | N12 | H131 | 120.4° | 120.0° |
| C14 | C13 | N12 | H132 | 120.4° | 120.0° |
| C14 | C13 | N12 | C10 | 116.9° | 180.0° |
| C14 | C13 | N12 | H121 | 63.1° | 0.1° |
| C14 | C13 | H131 | H132 | 118.9° | 119.9° |
| C13 | C14 | C15 | H151 | 58.4° | 62.7° |
| C13 | C14 | C15 | H152 | 59.7° | 57.3° |
| O37 | C36 | C14 | H141 | 177.2° | 10.9° |
| C13 | N12 | C10 | H121 | 180.0° | 180.0° |
| C13 | N12 | C10 | O11 | 1.3° | 0.0° |
| C13 | N12 | C10 | C05 | 179.5° | 179.7° |
| N12 | C13 | H131 | H132 | 118.9° | 120.0° |
| N12 | C13 | C14 | H141 | 69.0° | 55.0° |
| N12 | C10 | O11 | C05 | 179.2° | 179.7° |
| N12 | C10 | C05 | C06 | 111.8° | 60.3° |
| N12 | C10 | C05 | N04 | 130.0° | 179.7° |
| C10 | N12 | C13 | H131 | 122.8° | 60.0° |
| C10 | N12 | C13 | H132 | 3.5° | 60.0° |
| N12 | C10 | C05 | H051 | 8.6° | 59.7° |
| O11 | C10 | C05 | C06 | 67.4° | 120.0° |
| O11 | C10 | C05 | N04 | 50.8° | 0.0° |
| O11 | C10 | N12 | H121 | 178.7° | 180.0° |
| O11 | C10 | C05 | H051 | 172.2° | 120.0° |
| C10 | C05 | C06 | N04 | 117.8° | 120.0° |
| C10 | C05 | C06 | H051 | 120.4° | 120.0° |
| C10 | C05 | N04 | H051 | 120.7° | 120.0° |
| C10 | C05 | C06 | C07 | 175.4° | 171.1° |
| C10 | C05 | N04 | C02 | 67.5° | 87.6° |
| C05 | C10 | N12 | H121 | 0.5° | 0.3° |
| C10 | C05 | C06 | H061 | 64.2° | 68.9° |
| C10 | C05 | C06 | H062 | 54.9° | 51.0° |
| C10 | C05 | N04 | H041 | 112.5° | 92.4° |
| C06 | C05 | N04 | H051 | 121.0° | 120.0° |
| C05 | C06 | C07 | H061 | 120.5° | 120.0° |
| C05 | C06 | C07 | H062 | 120.4° | 120.0° |
| C05 | C06 | C07 | O09 | 50.9° | 3.4° |
| C05 | C06 | C07 | O08 | 129.2° | 176.6° |
| C06 | C05 | N04 | C02 | 174.2° | 152.4° |
| C05 | C06 | H061 | H062 | 118.7° | 119.9° |
| C06 | C05 | N04 | H041 | 5.8° | 27.7° |
| N04 | C05 | C06 | C07 | 66.8° | 68.9° |
| C05 | N04 | C02 | O03 | 0.8° | 5.0° |
| C05 | N04 | C02 | H041 | 180.0° | 179.9° |
| C05 | N04 | C02 | C01 | 179.5° | 175.0° |
| N04 | C05 | C06 | H061 | 53.7° | 51.1° |
| N04 | C05 | C06 | H062 | 172.8° | 171.0° |
| C06 | C07 | O09 | O08 | 179.9° | 180.0° |
| C07 | C06 | C05 | H051 | 55.0° | 51.1° |
| C07 | C06 | H061 | H062 | 118.7° | 120.0° |
| C06 | C07 | O08 | H1 | 179.9° | 180.0° |
| O09 | C07 | C06 | H061 | 171.4° | 116.6° |
| O09 | C07 | C06 | H062 | 69.5° | 123.4° |
| O09 | C07 | O08 | H1 | 0.0° | 0.0° |
| O03 | C02 | N04 | C01 | 179.8° | 180.0° |
| O03 | C02 | C01 | H011 | 0.0° | 180.0° |
| O03 | C02 | C01 | H012 | 120.0° | 60.0° |
| O03 | C02 | C01 | H013 | 120.0° | 60.0° |
| O03 | C02 | N04 | H041 | 179.2° | 175.0° |
| O08 | C07 | C06 | H061 | 8.7° | 63.4° |
| O08 | C07 | C06 | H062 | 110.4° | 56.6° |
| N04 | C02 | C01 | H011 | 179.8° | 0.0° |
| N04 | C02 | C01 | H012 | 60.2° | 120.0° |
| N04 | C02 | C01 | H013 | 59.8° | 120.1° |
| C02 | N04 | C05 | H051 | 53.2° | 32.4° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C02 | C01 | H012 | H013 | 120.0° | 119.9° |
| C01 | C02 | N04 | H041 | 0.6° | 5.1° |
| H121 | N12 | C13 | H131 | 57.2° | 120.1° |
| H121 | N12 | C13 | H132 | 176.5° | 119.9° |
| H131 | C13 | C14 | H141 | 51.4° | 175.0° |
| H132 | C13 | C14 | H141 | 170.6° | 65.0° |
| H151 | C15 | C14 | H141 | 59.7° | 177.3° |
| H152 | C15 | C14 | H141 | 177.9° | 62.7° |
| H172 | C17 | C18 | H181 | 141.6° | 0.0° |
| H172 | C17 | C18 | H182 | 20.7° | 121.4° |
| H171 | C17 | C18 | H181 | 20.2° | 121.4° |
| H171 | C17 | C18 | H182 | 100.7° | 0.0° |
| H202 | C20 | C19 | H192 | 32.9° | 37.5° |
| H202 | C20 | C19 | H191 | 154.4° | 85.1° |
| H201 | C20 | C19 | H192 | 88.0° | 160.9° |
| H201 | C20 | C19 | H191 | 33.5° | 38.3° |
| H241 | C24 | C25 | H252 | 27.4° | 175.0° |
| H241 | C24 | C25 | H251 | 90.8° | 65.0° |
| H241 | C24 | N23 | H231 | 131.6° | 145.0° |
| H281 | C28 | C27 | H271 | 0.5° | 0.1° |
| H011 | C01 | H012 | H013 | 120.0° | 120.1° |
| H051 | C05 | C06 | H061 | 175.4° | 171.1° |
| H051 | C05 | C06 | H062 | 65.5° | 69.0° |
| H051 | C05 | N04 | H041 | 126.8° | 147.6° |
| H181 | C18 | C19 | H192 | 30.6° | 145.7° |
| H181 | C18 | C19 | H191 | 152.2° | 23.0° |
| H182 | C18 | C19 | H192 | 90.3° | 24.3° |
| H182 | C18 | C19 | H191 | 31.3° | 98.4° |
| H301 | C30 | C31 | H311 | 0.8° | 0.2° |
