X47
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C08 | sing | 1.53Å | 1.53Å | |
| C11 | C08 | sing | 1.53Å | 1.57Å | |
| C08 | C09 | sing | 1.53Å | 1.54Å | |
| C08 | C07 | sing | 1.51Å | 1.58Å | |
| C12 | C07 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.42Å | Aromatic |
| C07 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C04 | doub | 1.39Å | 1.39Å | Aromatic |
| C27 | C26 | sing | 1.55Å | 1.35Å | |
| C27 | C23 | sing | 1.54Å | 1.67Å | |
| C26 | C25 | sing | 1.55Å | 1.56Å | |
| C06 | C05 | doub | 1.38Å | 1.40Å | Aromatic |
| O28 | C21 | doub | 1.21Å | 1.20Å | |
| C04 | C05 | sing | 1.39Å | 1.40Å | Aromatic |
| C04 | N03 | sing | 1.40Å | 1.51Å | |
| C23 | C24 | sing | 1.54Å | 1.31Å | |
| C23 | N22 | sing | 1.46Å | 1.50Å | |
| C25 | C24 | sing | 1.54Å | 1.62Å | |
| C21 | N22 | sing | 1.35Å | 1.46Å | |
| C21 | C14 | sing | 1.51Å | 1.57Å | |
| C20 | N19 | doub | 1.32Å | 1.32Å | Aromatic |
| C20 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| N19 | C18 | sing | 1.32Å | 1.33Å | Aromatic |
| C30 | N31 | sing | 1.36Å | 1.32Å | Aromatic |
| C30 | C29 | doub | 1.36Å | 1.40Å | Aromatic |
| N31 | C32 | sing | 1.36Å | 1.31Å | Aromatic |
| N03 | C14 | sing | 1.47Å | 1.47Å | |
| N03 | C02 | sing | 1.35Å | 1.51Å | |
| C14 | C15 | sing | 1.51Å | 1.50Å | |
| C15 | C16 | doub | 1.39Å | 1.40Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C02 | sing | 1.47Å | 1.54Å | |
| C29 | N33 | sing | 1.36Å | 1.31Å | Aromatic |
| C32 | N33 | doub | 1.30Å | 1.34Å | Aromatic |
| C02 | O01 | doub | 1.22Å | 1.17Å | |
| C16 | C17 | sing | 1.39Å | 1.38Å | Aromatic |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C09 | H093 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H103 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H113 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| N22 | H221 | sing | 0.97Å | 1.00Å | |
| N31 | H1 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C08 | C11 | 109.6° | 109.5° |
| C10 | C08 | C09 | 109.5° | 109.5° |
| C10 | C08 | C07 | 110.5° | 109.5° |
| C08 | C10 | H101 | 109.5° | 109.4° |
| C08 | C10 | H102 | 109.5° | 109.4° |
| C08 | C10 | H103 | 109.4° | 109.5° |
| C11 | C08 | C09 | 108.3° | 109.4° |
| C11 | C08 | C07 | 109.7° | 109.5° |
| C08 | C11 | H112 | 109.5° | 109.5° |
| C08 | C11 | H113 | 109.5° | 109.5° |
| C08 | C11 | H111 | 109.5° | 109.5° |
| C09 | C08 | C07 | 109.2° | 109.5° |
| C08 | C09 | H093 | 109.5° | 109.5° |
| C08 | C09 | H091 | 109.5° | 109.5° |
| C08 | C09 | H092 | 109.4° | 109.5° |
| C08 | C07 | C12 | 120.5° | 119.9° |
| C08 | C07 | C06 | 119.6° | 119.9° |
| C07 | C12 | C13 | 120.2° | 120.0° |
| C12 | C07 | C06 | 119.9° | 120.2° |
| C07 | C12 | H121 | 119.9° | 120.0° |
| C12 | C13 | C04 | 119.7° | 120.0° |
| C13 | C12 | H121 | 119.8° | 119.9° |
| C12 | C13 | H131 | 120.2° | 120.0° |
| C07 | C06 | C05 | 119.9° | 120.1° |
| C07 | C06 | H061 | 120.1° | 120.0° |
| C13 | C04 | C05 | 119.7° | 119.8° |
| C13 | C04 | N03 | 122.3° | 120.1° |
| C04 | C13 | H131 | 120.2° | 120.0° |
| C26 | C27 | C23 | 107.9° | 104.2° |
| C27 | C26 | C25 | 106.2° | 102.8° |
| C27 | C26 | H261 | 110.3° | 110.8° |
| C27 | C26 | H262 | 110.3° | 110.9° |
| C26 | C27 | H271 | 109.9° | 110.5° |
| C26 | C27 | H272 | 109.9° | 110.5° |
| C27 | C23 | C24 | 105.2° | 106.6° |
| C27 | C23 | N22 | 110.2° | 110.0° |
| C27 | C23 | H231 | 107.9° | 110.1° |
| C23 | C27 | H271 | 109.9° | 110.5° |
| C23 | C27 | H272 | 109.8° | 110.5° |
| C26 | C25 | C24 | 105.5° | 104.2° |
| C26 | C25 | H251 | 110.4° | 110.5° |
| C26 | C25 | H252 | 110.4° | 110.6° |
| C25 | C26 | H261 | 110.3° | 110.7° |
| C25 | C26 | H262 | 110.3° | 110.7° |
| C06 | C05 | C04 | 120.6° | 119.9° |
| C06 | C05 | H051 | 119.7° | 120.0° |
| C05 | C06 | H061 | 120.1° | 119.9° |
| O28 | C21 | N22 | 119.1° | 120.0° |
| O28 | C21 | C14 | 119.0° | 120.0° |
| C05 | C04 | N03 | 118.0° | 120.1° |
| C04 | C05 | H051 | 119.7° | 120.1° |
| C04 | N03 | C14 | 121.0° | 120.0° |
| C04 | N03 | C02 | 121.7° | 120.0° |
| C24 | C23 | N22 | 110.1° | 110.0° |
| C23 | C24 | C25 | 105.1° | 106.6° |
| C24 | C23 | H231 | 113.2° | 110.0° |
| C23 | C24 | H241 | 110.6° | 110.0° |
| C23 | C24 | H242 | 110.5° | 110.1° |
| C23 | N22 | C21 | 120.7° | 120.0° |
| N22 | C23 | H231 | 110.0° | 110.0° |
| C23 | N22 | H221 | 119.7° | 120.0° |
| C25 | C24 | H241 | 110.5° | 110.0° |
| C25 | C24 | H242 | 110.5° | 110.1° |
| C24 | C25 | H251 | 110.5° | 110.6° |
| C24 | C25 | H252 | 110.5° | 110.5° |
| N22 | C21 | C14 | 122.0° | 120.0° |
| C21 | N22 | H221 | 119.6° | 119.9° |
| C21 | C14 | N03 | 109.5° | 109.5° |
| C21 | C14 | C15 | 105.9° | 109.5° |
| C21 | C14 | H141 | 107.1° | 109.5° |
| N19 | C20 | C15 | 121.0° | 120.7° |
| C20 | N19 | C18 | 121.4° | 121.7° |
| N19 | C20 | H201 | 119.5° | 119.6° |
| C20 | C15 | C14 | 123.1° | 120.4° |
| C20 | C15 | C16 | 119.1° | 119.2° |
| C15 | C20 | H201 | 119.5° | 119.6° |
| N19 | C18 | C17 | 121.0° | 120.8° |
| N19 | C18 | H181 | 119.5° | 119.6° |
| N31 | C30 | C29 | 106.6° | 106.8° |
| C30 | N31 | C32 | 108.7° | 107.6° |
| N31 | C30 | H301 | 126.7° | 126.6° |
| C30 | N31 | H1 | 125.6° | 126.2° |
| C30 | C29 | C02 | 128.0° | 126.2° |
| C30 | C29 | N33 | 106.8° | 107.6° |
| C29 | C30 | H301 | 126.7° | 126.6° |
| N31 | C32 | N33 | 109.4° | 109.1° |
| N31 | C32 | H321 | 125.3° | 125.5° |
| C32 | N31 | H1 | 125.7° | 126.2° |
| C14 | N03 | C02 | 117.1° | 120.0° |
| N03 | C14 | C15 | 117.7° | 109.5° |
| N03 | C14 | H141 | 108.3° | 109.5° |
| N03 | C02 | C29 | 124.2° | 120.0° |
| N03 | C02 | O01 | 118.1° | 119.9° |
| C14 | C15 | C16 | 117.8° | 120.4° |
| C15 | C14 | H141 | 107.9° | 109.5° |
| C15 | C16 | C17 | 118.4° | 118.4° |
| C15 | C16 | H161 | 120.8° | 120.8° |
| C18 | C17 | C16 | 119.2° | 119.2° |
| C18 | C17 | H171 | 120.4° | 120.4° |
| C17 | C18 | H181 | 119.5° | 119.7° |
| C02 | C29 | N33 | 125.2° | 126.2° |
| C29 | C02 | O01 | 117.6° | 120.0° |
| C29 | N33 | C32 | 108.5° | 109.0° |
| N33 | C32 | H321 | 125.3° | 125.5° |
| C17 | C16 | H161 | 120.8° | 120.8° |
| C16 | C17 | H171 | 120.4° | 120.4° |
| H093 | C09 | H091 | 109.4° | 109.5° |
| H093 | C09 | H092 | 109.5° | 109.5° |
| H091 | C09 | H092 | 109.5° | 109.5° |
| H101 | C10 | H102 | 109.5° | 109.5° |
| H101 | C10 | H103 | 109.5° | 109.5° |
| H102 | C10 | H103 | 109.5° | 109.5° |
| H112 | C11 | H113 | 109.5° | 109.5° |
| H112 | C11 | H111 | 109.4° | 109.4° |
| H113 | C11 | H111 | 109.5° | 109.4° |
| H241 | C24 | H242 | 109.5° | 110.0° |
| H251 | C25 | H252 | 109.5° | 110.4° |
| H261 | C26 | H262 | 109.5° | 110.7° |
| H271 | C27 | H272 | 109.5° | 110.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C08 | C11 | C09 | 119.5° | 120.0° |
| C10 | C08 | C11 | C07 | 121.5° | 120.1° |
| C10 | C08 | C09 | C07 | 121.1° | 120.0° |
| C10 | C08 | C07 | C12 | 4.6° | 0.0° |
| C10 | C08 | C07 | C06 | 174.9° | 180.0° |
| C10 | C08 | C09 | H093 | 180.0° | 60.1° |
| C10 | C08 | C09 | H091 | 60.0° | 60.0° |
| C10 | C08 | C09 | H092 | 60.0° | 180.0° |
| C08 | C10 | H101 | H102 | 120.0° | 120.0° |
| C08 | C10 | H101 | H103 | 120.0° | 120.0° |
| C08 | C10 | H102 | H103 | 119.9° | 120.0° |
| C10 | C08 | C11 | H112 | 180.0° | 60.0° |
| C10 | C08 | C11 | H113 | 60.0° | 60.0° |
| C10 | C08 | C11 | H111 | 60.0° | 180.0° |
| C11 | C08 | C09 | C07 | 119.4° | 120.0° |
| C11 | C08 | C07 | C12 | 116.4° | 120.0° |
| C11 | C08 | C07 | C06 | 64.1° | 60.0° |
| C11 | C08 | C09 | H093 | 60.5° | 180.0° |
| C11 | C08 | C09 | H091 | 179.5° | 60.0° |
| C11 | C08 | C09 | H092 | 59.5° | 60.0° |
| C11 | C08 | C10 | H101 | 180.0° | 180.0° |
| C11 | C08 | C10 | H102 | 60.0° | 60.0° |
| C11 | C08 | C10 | H103 | 60.0° | 60.0° |
| C08 | C11 | H112 | H113 | 120.0° | 120.0° |
| C08 | C11 | H112 | H111 | 120.0° | 120.0° |
| C08 | C11 | H113 | H111 | 120.0° | 120.0° |
| C09 | C08 | C07 | C12 | 125.1° | 120.0° |
| C09 | C08 | C07 | C06 | 54.4° | 60.0° |
| C08 | C09 | H093 | H091 | 120.0° | 120.0° |
| C08 | C09 | H093 | H092 | 120.0° | 120.0° |
| C08 | C09 | H091 | H092 | 120.0° | 120.0° |
| C09 | C08 | C10 | H101 | 61.3° | 60.0° |
| C09 | C08 | C10 | H102 | 178.7° | 180.0° |
| C09 | C08 | C10 | H103 | 58.7° | 60.0° |
| C09 | C08 | C11 | H112 | 60.6° | 60.0° |
| C09 | C08 | C11 | H113 | 59.5° | 180.0° |
| C09 | C08 | C11 | H111 | 179.5° | 60.0° |
| C08 | C07 | C12 | C06 | 179.5° | 180.0° |
| C08 | C07 | C12 | C13 | 179.7° | 179.7° |
| C08 | C07 | C06 | C05 | 179.9° | 180.0° |
| C08 | C07 | C06 | H061 | 0.1° | 0.0° |
| C07 | C08 | C09 | H093 | 58.9° | 60.0° |
| C07 | C08 | C09 | H091 | 61.1° | 180.0° |
| C07 | C08 | C09 | H092 | 178.9° | 60.0° |
| C07 | C08 | C10 | H101 | 58.9° | 60.0° |
| C07 | C08 | C10 | H102 | 61.1° | 60.0° |
| C07 | C08 | C10 | H103 | 179.0° | 180.0° |
| C07 | C08 | C11 | H112 | 58.5° | 180.0° |
| C07 | C08 | C11 | H113 | 178.5° | 60.0° |
| C07 | C08 | C11 | H111 | 61.5° | 60.0° |
| C08 | C07 | C12 | H121 | 0.3° | 0.0° |
| C07 | C12 | C13 | H121 | 180.0° | 179.7° |
| C07 | C12 | C13 | C04 | 0.1° | 0.6° |
| C12 | C07 | C06 | C05 | 0.3° | 0.0° |
| C12 | C07 | C06 | H061 | 179.7° | 180.0° |
| C07 | C12 | C13 | H131 | 179.9° | 180.0° |
| C13 | C12 | C07 | C06 | 0.1° | 0.3° |
| C12 | C13 | C04 | H131 | 180.0° | 179.4° |
| C12 | C13 | C04 | C05 | 0.1° | 0.6° |
| C12 | C13 | C04 | N03 | 179.8° | 179.7° |
| C07 | C06 | C05 | H061 | 180.0° | 180.0° |
| C07 | C06 | C05 | C04 | 0.3° | 0.0° |
| C07 | C06 | C05 | H051 | 179.7° | 180.0° |
| C06 | C07 | C12 | H121 | 179.8° | 180.0° |
| C13 | C04 | C05 | C06 | 0.1° | 0.3° |
| C13 | C04 | C05 | N03 | 179.7° | 179.7° |
| C13 | C04 | N03 | C14 | 89.9° | 68.5° |
| C13 | C04 | N03 | C02 | 95.1° | 111.6° |
| C13 | C04 | C05 | H051 | 179.9° | 179.7° |
| C04 | C13 | C12 | H121 | 179.9° | 179.7° |
| C26 | C27 | C23 | H271 | 119.8° | 118.6° |
| C26 | C27 | C23 | H272 | 119.7° | 118.7° |
| C27 | C26 | C25 | H261 | 119.5° | 118.3° |
| C27 | C26 | C25 | H262 | 119.5° | 118.5° |
| C26 | C27 | C23 | C24 | 30.9° | 23.6° |
| C26 | C27 | C23 | N22 | 87.8° | 142.9° |
| C27 | C26 | C25 | C24 | 3.3° | 37.9° |
| C26 | C27 | C23 | H231 | 152.0° | 95.7° |
| C27 | C26 | C25 | H251 | 116.1° | 156.7° |
| C27 | C26 | C25 | H252 | 122.7° | 80.8° |
| C27 | C26 | H261 | H262 | 121.5° | 123.4° |
| C26 | C27 | H271 | H272 | 120.7° | 122.6° |
| C23 | C27 | C26 | C25 | 13.9° | 37.9° |
| C27 | C23 | C24 | N22 | 118.7° | 119.3° |
| C27 | C23 | C24 | H231 | 117.6° | 119.4° |
| C27 | C23 | N22 | H231 | 118.9° | 121.5° |
| C27 | C23 | C24 | C25 | 30.6° | 0.0° |
| C27 | C23 | N22 | C21 | 59.6° | 87.9° |
| C27 | C23 | C24 | H241 | 88.7° | 119.3° |
| C27 | C23 | C24 | H242 | 149.9° | 119.3° |
| C23 | C27 | C26 | H261 | 105.6° | 80.4° |
| C23 | C27 | C26 | H262 | 133.4° | 156.3° |
| C23 | C27 | H271 | H272 | 120.7° | 122.6° |
| C27 | C23 | N22 | H221 | 120.4° | 92.2° |
| C26 | C25 | C24 | C23 | 23.7° | 23.6° |
| C26 | C25 | C24 | H251 | 119.4° | 118.7° |
| C26 | C25 | C24 | H252 | 119.4° | 118.8° |
| C26 | C25 | C24 | H241 | 95.6° | 95.7° |
| C26 | C25 | C24 | H242 | 143.0° | 142.9° |
| C26 | C25 | H251 | H252 | 121.8° | 122.6° |
| C25 | C26 | H261 | H262 | 121.5° | 123.2° |
| C25 | C26 | C27 | H271 | 105.8° | 80.7° |
| C25 | C26 | C27 | H272 | 133.6° | 156.6° |
| C06 | C05 | C04 | H051 | 180.0° | 180.0° |
| C06 | C05 | C04 | N03 | 179.7° | 180.0° |
| O28 | C21 | N22 | C23 | 1.1° | 0.1° |
| O28 | C21 | N22 | C14 | 179.6° | 179.9° |
| O28 | C21 | C14 | N03 | 70.5° | 0.0° |
| O28 | C21 | C14 | C15 | 57.4° | 120.1° |
| O28 | C21 | C14 | H141 | 172.3° | 120.0° |
| O28 | C21 | N22 | H221 | 178.9° | 180.0° |
| C05 | C04 | N03 | C14 | 90.4° | 111.8° |
| C05 | C04 | N03 | C02 | 84.7° | 68.1° |
| C04 | C05 | C06 | H061 | 179.7° | 180.0° |
| C05 | C04 | C13 | H131 | 179.9° | 180.0° |
| C04 | N03 | C14 | C21 | 1.6° | 112.4° |
| C04 | N03 | C14 | C02 | 175.3° | 179.9° |
| C04 | N03 | C14 | C15 | 122.5° | 7.6° |
| C04 | N03 | C02 | C29 | 2.4° | 174.9° |
| C04 | N03 | C02 | O01 | 178.1° | 5.3° |
| N03 | C04 | C05 | H051 | 0.3° | 0.0° |
| N03 | C04 | C13 | H131 | 0.2° | 0.3° |
| C04 | N03 | C14 | H141 | 114.9° | 127.6° |
| C24 | C23 | N22 | H231 | 125.4° | 121.4° |
| C23 | C24 | C25 | H241 | 119.3° | 119.3° |
| C23 | C24 | C25 | H242 | 119.3° | 119.4° |
| C24 | C23 | N22 | C21 | 175.3° | 155.0° |
| C23 | C24 | H241 | H242 | 122.0° | 121.4° |
| C23 | C24 | C25 | H251 | 95.6° | 142.3° |
| C23 | C24 | C25 | H252 | 143.1° | 95.2° |
| C24 | C23 | C27 | H271 | 88.8° | 95.0° |
| C24 | C23 | C27 | H272 | 150.7° | 142.3° |
| C24 | C23 | N22 | H221 | 4.7° | 24.9° |
| N22 | C23 | C24 | C25 | 88.2° | 119.3° |
| C23 | N22 | C21 | H221 | 180.0° | 179.9° |
| C23 | N22 | C21 | C14 | 179.2° | 180.0° |
| N22 | C23 | C24 | H241 | 152.6° | 121.4° |
| N22 | C23 | C24 | H242 | 31.1° | 0.1° |
| N22 | C23 | C27 | H271 | 152.4° | 24.2° |
| N22 | C23 | C27 | H272 | 32.0° | 98.4° |
| C25 | C24 | C23 | H231 | 148.2° | 119.3° |
| C25 | C24 | H241 | H242 | 122.0° | 121.4° |
| C24 | C25 | H251 | H252 | 121.9° | 122.6° |
| C24 | C25 | C26 | H261 | 122.8° | 80.4° |
| C24 | C25 | C26 | H262 | 116.2° | 156.4° |
| N22 | C21 | C14 | N03 | 109.9° | 179.9° |
| N22 | C21 | C14 | C15 | 122.2° | 60.0° |
| N22 | C21 | C14 | H141 | 7.3° | 60.0° |
| C21 | N22 | C23 | H231 | 59.3° | 33.6° |
| C21 | C14 | C15 | C20 | 78.1° | 65.5° |
| C21 | C14 | N03 | C15 | 120.9° | 120.0° |
| C21 | C14 | N03 | H141 | 116.5° | 120.0° |
| C21 | C14 | N03 | C02 | 176.9° | 67.6° |
| C21 | C14 | C15 | H141 | 114.4° | 120.0° |
| C21 | C14 | C15 | C16 | 99.6° | 114.2° |
| C14 | C21 | N22 | H221 | 0.8° | 0.1° |
| N19 | C20 | C15 | H201 | 180.0° | 179.4° |
| N19 | C20 | C15 | C14 | 178.6° | 179.7° |
| N19 | C20 | C15 | C16 | 1.0° | 0.6° |
| C20 | N19 | C18 | C17 | 0.3° | 0.4° |
| C20 | N19 | C18 | H181 | 179.7° | 179.7° |
| C15 | C20 | N19 | C18 | 0.3° | 0.6° |
| C20 | C15 | C14 | N03 | 44.7° | 54.5° |
| C20 | C15 | C14 | C16 | 177.7° | 179.7° |
| C20 | C15 | C16 | C17 | 1.1° | 0.4° |
| C20 | C15 | C14 | H141 | 167.5° | 174.5° |
| C20 | C15 | C16 | H161 | 178.9° | 179.8° |
| N19 | C18 | C17 | H181 | 180.0° | 179.9° |
| N19 | C18 | C17 | C16 | 0.1° | 0.1° |
| N19 | C18 | C17 | H171 | 179.8° | 180.0° |
| C18 | N19 | C20 | H201 | 179.7° | 180.0° |
| N31 | C30 | C29 | H301 | 180.0° | 179.9° |
| C30 | N31 | C32 | H1 | 180.0° | 180.0° |
| N31 | C30 | C29 | C02 | 179.2° | 179.9° |
| N31 | C30 | C29 | N33 | 1.0° | 0.3° |
| C30 | N31 | C32 | N33 | 0.1° | 0.2° |
| C30 | N31 | C32 | H321 | 179.9° | 179.9° |
| C29 | C30 | N31 | C32 | 0.7° | 0.0° |
| C30 | C29 | C02 | N03 | 21.7° | 179.2° |
| C30 | C29 | C02 | N33 | 177.8° | 179.6° |
| C30 | C29 | N33 | C32 | 0.9° | 0.4° |
| C30 | C29 | C02 | O01 | 158.8° | 0.5° |
| C29 | C30 | N31 | H1 | 179.3° | 180.0° |
| N31 | C32 | N33 | C29 | 0.5° | 0.4° |
| N31 | C32 | N33 | H321 | 180.0° | 179.7° |
| C32 | N31 | C30 | H301 | 179.3° | 179.9° |
| N03 | C14 | C15 | H141 | 122.8° | 120.0° |
| N03 | C14 | C15 | C16 | 137.7° | 125.8° |
| C14 | N03 | C02 | C29 | 177.7° | 5.1° |
| C14 | N03 | C02 | O01 | 2.8° | 174.7° |
| C02 | N03 | C14 | C15 | 62.2° | 172.4° |
| N03 | C02 | C29 | O01 | 179.5° | 179.8° |
| N03 | C02 | C29 | N33 | 160.5° | 0.4° |
| C02 | N03 | C14 | H141 | 60.4° | 52.4° |
| C14 | C15 | C16 | C17 | 178.9° | 179.9° |
| C14 | C15 | C16 | H161 | 1.1° | 0.1° |
| C14 | C15 | C20 | H201 | 1.3° | 0.3° |
| C15 | C16 | C17 | C18 | 0.6° | 0.1° |
| C15 | C16 | C17 | H161 | 180.0° | 179.8° |
| C16 | C15 | C14 | H141 | 14.8° | 5.8° |
| C15 | C16 | C17 | H171 | 179.5° | 180.0° |
| C16 | C15 | C20 | H201 | 179.0° | 180.0° |
| C18 | C17 | C16 | H171 | 180.0° | 179.9° |
| C18 | C17 | C16 | H161 | 179.5° | 180.0° |
| C02 | C29 | N33 | C32 | 179.1° | 179.9° |
| C02 | C29 | C30 | H301 | 0.9° | 0.0° |
| N33 | C29 | C02 | O01 | 19.0° | 179.8° |
| N33 | C29 | C30 | H301 | 179.0° | 179.7° |
| C29 | N33 | C32 | H321 | 179.4° | 179.9° |
| N33 | C32 | N31 | H1 | 179.9° | 179.7° |
| C16 | C17 | C18 | H181 | 179.9° | 180.0° |
| H051 | C05 | C06 | H061 | 0.3° | 0.0° |
| H093 | C09 | H091 | H092 | 120.0° | 120.0° |
| H101 | C10 | H102 | H103 | 120.0° | 120.1° |
| H112 | C11 | H113 | H111 | 119.9° | 120.0° |
| H121 | C12 | C13 | H131 | 0.0° | 0.2° |
| H161 | C16 | C17 | H171 | 0.5° | 0.2° |
| H171 | C17 | C18 | H181 | 0.1° | 0.1° |
| H231 | C23 | C24 | H241 | 28.9° | 0.1° |
| H231 | C23 | C24 | H242 | 92.5° | 121.3° |
| H231 | C23 | C27 | H271 | 32.3° | 145.7° |
| H231 | C23 | C27 | H272 | 88.2° | 23.0° |
| H231 | C23 | N22 | H221 | 120.7° | 146.3° |
| H241 | C24 | C25 | H251 | 145.0° | 23.0° |
| H241 | C24 | C25 | H252 | 23.8° | 145.5° |
| H242 | C24 | C25 | H251 | 23.7° | 98.4° |
| H242 | C24 | C25 | H252 | 97.6° | 24.2° |
| H251 | C25 | C26 | H261 | 3.4° | 38.4° |
| H251 | C25 | C26 | H262 | 124.4° | 84.8° |
| H252 | C25 | C26 | H261 | 117.9° | 160.9° |
| H252 | C25 | C26 | H262 | 3.2° | 37.7° |
| H261 | C26 | C27 | H271 | 134.7° | 161.0° |
| H261 | C26 | C27 | H272 | 14.2° | 38.3° |
| H262 | C26 | C27 | H271 | 13.6° | 37.7° |
| H262 | C26 | C27 | H272 | 106.9° | 85.0° |
| H301 | C30 | N31 | H1 | 0.7° | 0.1° |
| H321 | C32 | N31 | H1 | 0.1° | 0.1° |
