BUK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CX | CY | sing | 1.53Å | 1.55Å | |
| CX | CZ | sing | 1.53Å | 1.53Å | |
| CX | OX | sing | 1.43Å | 1.43Å | |
| CX | HX | sing | 1.09Å | 1.10Å | |
| CY | N02 | sing | 1.46Å | 1.47Å | |
| CY | C06 | sing | 1.53Å | 1.54Å | |
| CY | HY | sing | 1.09Å | 1.10Å | |
| CZ | N13 | sing | 1.48Å | 1.28Å | |
| CZ | S16 | sing | 1.84Å | 1.73Å | |
| CZ | HZ | sing | 1.09Å | 1.10Å | |
| OX | HOX | sing | 0.97Å | 0.95Å | |
| N02 | C19 | sing | 1.35Å | 1.33Å | |
| N02 | H02 | sing | 0.97Å | 1.00Å | |
| C06 | C07 | sing | 1.53Å | 1.54Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C07 | C08 | sing | 1.53Å | 1.51Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C08 | N09 | sing | 1.46Å | 1.46Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| N09 | C10 | sing | 1.37Å | 1.34Å | |
| N09 | H09 | sing | 0.97Å | 1.00Å | |
| C10 | N11 | sing | 1.37Å | 1.34Å | |
| C10 | NP2 | doub | 1.30Å | 1.33Å | |
| N11 | H111 | sing | 0.97Å | 1.00Å | |
| N11 | H112 | sing | 0.97Å | 1.00Å | |
| NP2 | HP2 | sing | 0.97Å | 1.00Å | |
| N13 | C14 | sing | 1.38Å | 1.39Å | |
| N13 | H13 | sing | 0.97Å | 1.00Å | |
| C14 | C15 | doub | 1.32Å | 1.39Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | S16 | sing | 1.79Å | 1.71Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| N17 | C18 | sing | 1.47Å | 1.50Å | |
| N17 | C26 | sing | 1.35Å | 1.36Å | |
| N17 | H17 | sing | 0.97Å | 1.00Å | |
| C18 | C19 | sing | 1.51Å | 1.55Å | |
| C18 | C21 | sing | 1.53Å | 1.56Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | O20 | doub | 1.21Å | 1.24Å | |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| C21 | C23 | sing | 1.53Å | 1.55Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H223 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H233 | sing | 1.09Å | 1.10Å | |
| N24 | C25 | sing | 1.47Å | 1.45Å | |
| N24 | C32 | sing | 1.35Å | 1.34Å | |
| N24 | H24 | sing | 0.97Å | 1.00Å | |
| C25 | C26 | sing | 1.51Å | 1.53Å | |
| C25 | C28 | sing | 1.53Å | 1.54Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | O27 | doub | 1.21Å | 1.23Å | |
| C28 | C29 | sing | 1.51Å | 1.54Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C29 | O30 | doub | 1.21Å | 1.24Å | |
| C29 | N31 | sing | 1.35Å | 1.33Å | |
| N31 | H311 | sing | 0.97Å | 1.00Å | |
| N31 | H312 | sing | 0.97Å | 1.00Å | |
| C32 | O33 | doub | 1.22Å | 1.26Å | |
| C32 | N34 | sing | 1.35Å | 1.35Å | |
| N34 | C35 | sing | 1.46Å | 1.47Å | |
| N34 | H34 | sing | 0.97Å | 1.00Å | |
| C35 | C36 | sing | 1.51Å | 1.53Å | |
| C35 | C43 | sing | 1.53Å | 1.54Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C36 | C37 | sing | 1.38Å | 1.44Å | Aromatic |
| C36 | C41 | doub | 1.38Å | 1.45Å | Aromatic |
| C37 | C38 | doub | 1.38Å | 1.42Å | Aromatic |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C38 | C39 | sing | 1.38Å | 1.43Å | Aromatic |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| C39 | C40 | doub | 1.38Å | 1.42Å | Aromatic |
| C39 | BR | sing | 1.89Å | 1.87Å | |
| C40 | C41 | sing | 1.38Å | 1.42Å | Aromatic |
| C40 | H40 | sing | 1.08Å | 1.08Å | |
| C41 | H41 | sing | 1.08Å | 1.08Å | |
| C43 | H431 | sing | 1.09Å | 1.10Å | |
| C43 | H432 | sing | 1.09Å | 1.10Å | |
| C43 | H433 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CY | CX | CZ | 111.3° | 109.5° |
| CY | CX | OX | 107.0° | 109.5° |
| CY | CX | HX | 110.2° | 109.5° |
| CX | CY | N02 | 107.8° | 109.5° |
| CX | CY | C06 | 112.2° | 109.5° |
| CX | CY | HY | 108.4° | 109.5° |
| CZ | CX | OX | 110.5° | 109.4° |
| CZ | CX | HX | 106.8° | 109.5° |
| CX | CZ | N13 | 120.3° | 111.3° |
| CX | CZ | S16 | 121.2° | 111.3° |
| CX | CZ | HZ | 23.6° | 111.1° |
| OX | CX | HX | 111.0° | 109.5° |
| CX | OX | HOX | 109.5° | 106.7° |
| N02 | CY | C06 | 108.3° | 109.4° |
| N02 | CY | HY | 112.3° | 109.5° |
| CY | N02 | C19 | 127.5° | 120.0° |
| CY | N02 | H02 | 116.2° | 120.0° |
| C06 | CY | HY | 107.9° | 109.5° |
| CY | C06 | C07 | 112.2° | 109.5° |
| CY | C06 | H061 | 107.9° | 109.5° |
| CY | C06 | H062 | 108.6° | 109.5° |
| N13 | CZ | S16 | 118.5° | 100.2° |
| N13 | CZ | HZ | 140.2° | 111.2° |
| CZ | N13 | C14 | 109.5° | 115.5° |
| CZ | N13 | H13 | 109.5° | 122.3° |
| S16 | CZ | HZ | 99.9° | 111.3° |
| CZ | S16 | C15 | 86.8° | 97.9° |
| C19 | N02 | H02 | 116.3° | 120.0° |
| N02 | C19 | C18 | 117.0° | 120.0° |
| N02 | C19 | O20 | 122.5° | 120.1° |
| C07 | C06 | H061 | 108.0° | 109.5° |
| C07 | C06 | H062 | 108.5° | 109.4° |
| C06 | C07 | C08 | 112.3° | 109.5° |
| C06 | C07 | H071 | 107.9° | 109.5° |
| C06 | C07 | H072 | 108.5° | 109.5° |
| H061 | C06 | H062 | 111.7° | 109.4° |
| C08 | C07 | H071 | 107.9° | 109.5° |
| C08 | C07 | H072 | 108.5° | 109.4° |
| C07 | C08 | N09 | 107.5° | 109.5° |
| C07 | C08 | H081 | 110.5° | 109.5° |
| C07 | C08 | H082 | 110.1° | 109.5° |
| H071 | C07 | H072 | 111.7° | 109.4° |
| N09 | C08 | H081 | 110.6° | 109.5° |
| N09 | C08 | H082 | 110.1° | 109.5° |
| C08 | N09 | C10 | 127.9° | 120.0° |
| C08 | N09 | H09 | 116.1° | 120.0° |
| H081 | C08 | H082 | 108.0° | 109.5° |
| C10 | N09 | H09 | 116.0° | 119.9° |
| N09 | C10 | N11 | 121.6° | 120.0° |
| N09 | C10 | NP2 | 117.7° | 120.0° |
| N11 | C10 | NP2 | 120.6° | 120.0° |
| C10 | N11 | H111 | 124.6° | 120.0° |
| C10 | N11 | H112 | 110.7° | 120.0° |
| C10 | NP2 | HP2 | 110.7° | 120.0° |
| H111 | N11 | H112 | 124.6° | 120.1° |
| C14 | N13 | H13 | 109.5° | 122.2° |
| N13 | C14 | C15 | 112.6° | 122.5° |
| N13 | C14 | H14 | 123.7° | 118.8° |
| C15 | C14 | H14 | 123.7° | 118.7° |
| C14 | C15 | S16 | 112.6° | 103.9° |
| C14 | C15 | H15 | 123.7° | 128.1° |
| S16 | C15 | H15 | 123.7° | 128.1° |
| C18 | N17 | C26 | 124.6° | 120.0° |
| C18 | N17 | H17 | 117.7° | 120.0° |
| N17 | C18 | C19 | 107.6° | 109.5° |
| N17 | C18 | C21 | 112.1° | 109.4° |
| N17 | C18 | H18 | 109.2° | 109.4° |
| C26 | N17 | H17 | 117.7° | 120.0° |
| N17 | C26 | C25 | 119.7° | 120.0° |
| N17 | C26 | O27 | 122.8° | 120.0° |
| C19 | C18 | C21 | 110.0° | 109.5° |
| C19 | C18 | H18 | 111.3° | 109.5° |
| C18 | C19 | O20 | 120.6° | 120.0° |
| C21 | C18 | H18 | 106.7° | 109.5° |
| C18 | C21 | C22 | 110.4° | 109.4° |
| C18 | C21 | C23 | 112.6° | 109.5° |
| C18 | C21 | H21 | 106.3° | 109.4° |
| C22 | C21 | C23 | 108.3° | 109.5° |
| C22 | C21 | H21 | 110.8° | 109.5° |
| C21 | C22 | H221 | 109.4° | 109.4° |
| C21 | C22 | H222 | 109.5° | 109.5° |
| C21 | C22 | H223 | 109.5° | 109.4° |
| C23 | C21 | H21 | 108.5° | 109.5° |
| C21 | C23 | H231 | 109.4° | 109.5° |
| C21 | C23 | H232 | 109.5° | 109.5° |
| C21 | C23 | H233 | 109.5° | 109.5° |
| H221 | C22 | H222 | 109.5° | 109.5° |
| H221 | C22 | H223 | 109.5° | 109.5° |
| H222 | C22 | H223 | 109.5° | 109.5° |
| H231 | C23 | H232 | 109.5° | 109.5° |
| H231 | C23 | H233 | 109.4° | 109.5° |
| H232 | C23 | H233 | 109.5° | 109.4° |
| C25 | N24 | C32 | 124.6° | 120.0° |
| C25 | N24 | H24 | 117.7° | 120.0° |
| N24 | C25 | C26 | 108.9° | 109.5° |
| N24 | C25 | C28 | 109.3° | 109.5° |
| N24 | C25 | H25 | 110.3° | 109.5° |
| C32 | N24 | H24 | 117.7° | 120.0° |
| N24 | C32 | O33 | 121.1° | 120.0° |
| N24 | C32 | N34 | 115.5° | 120.0° |
| C26 | C25 | C28 | 110.6° | 109.5° |
| C26 | C25 | H25 | 109.1° | 109.4° |
| C25 | C26 | O27 | 117.5° | 120.0° |
| C28 | C25 | H25 | 108.6° | 109.5° |
| C25 | C28 | C29 | 112.7° | 109.5° |
| C25 | C28 | H281 | 107.7° | 109.5° |
| C25 | C28 | H282 | 108.4° | 109.5° |
| C29 | C28 | H281 | 107.7° | 109.4° |
| C29 | C28 | H282 | 108.4° | 109.4° |
| C28 | C29 | O30 | 121.7° | 120.0° |
| C28 | C29 | N31 | 117.7° | 120.0° |
| H281 | C28 | H282 | 112.0° | 109.5° |
| O30 | C29 | N31 | 120.5° | 120.0° |
| C29 | N31 | H311 | 126.2° | 120.0° |
| C29 | N31 | H312 | 107.7° | 120.0° |
| H311 | N31 | H312 | 126.1° | 120.0° |
| O33 | C32 | N34 | 123.4° | 120.0° |
| C32 | N34 | C35 | 127.0° | 120.0° |
| C32 | N34 | H34 | 116.5° | 120.0° |
| C35 | N34 | H34 | 116.5° | 120.0° |
| N34 | C35 | C36 | 109.0° | 109.5° |
| N34 | C35 | C43 | 108.9° | 109.4° |
| N34 | C35 | H35 | 110.8° | 109.5° |
| C36 | C35 | C43 | 111.3° | 109.5° |
| C36 | C35 | H35 | 108.4° | 109.5° |
| C35 | C36 | C37 | 119.9° | 120.0° |
| C35 | C36 | C41 | 121.5° | 120.0° |
| C43 | C35 | H35 | 108.4° | 109.4° |
| C35 | C43 | H431 | 109.4° | 109.4° |
| C35 | C43 | H432 | 109.5° | 109.4° |
| C35 | C43 | H433 | 109.5° | 109.5° |
| C37 | C36 | C41 | 118.6° | 120.0° |
| C36 | C37 | C38 | 120.3° | 120.0° |
| C36 | C37 | H37 | 119.8° | 120.0° |
| C36 | C41 | C40 | 120.5° | 120.0° |
| C36 | C41 | H41 | 119.8° | 120.0° |
| C38 | C37 | H37 | 119.9° | 120.0° |
| C37 | C38 | C39 | 120.3° | 120.0° |
| C37 | C38 | H38 | 119.9° | 120.0° |
| C39 | C38 | H38 | 119.8° | 120.0° |
| C38 | C39 | C40 | 120.0° | 120.0° |
| C38 | C39 | BR | 120.4° | 120.0° |
| C40 | C39 | BR | 119.6° | 120.0° |
| C39 | C40 | C41 | 120.2° | 120.0° |
| C39 | C40 | H40 | 119.9° | 120.0° |
| C41 | C40 | H40 | 119.9° | 120.0° |
| C40 | C41 | H41 | 119.7° | 120.0° |
| H431 | C43 | H432 | 109.5° | 109.5° |
| H431 | C43 | H433 | 109.5° | 109.5° |
| H432 | C43 | H433 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CY | CX | CZ | OX | 118.8° | 120.0° |
| CY | CX | CZ | HX | 120.4° | 120.0° |
| CY | CX | OX | HX | 120.4° | 120.0° |
| CX | CY | N02 | C06 | 121.6° | 120.0° |
| CX | CY | N02 | HY | 119.3° | 120.0° |
| CX | CY | C06 | HY | 119.3° | 120.0° |
| CY | CX | CZ | N13 | 101.7° | 175.6° |
| CY | CX | CZ | S16 | 78.0° | 64.8° |
| CY | CX | CZ | HZ | 106.2° | 59.9° |
| CY | CX | OX | HOX | 112.5° | 60.0° |
| CX | CY | N02 | C19 | 107.9° | 85.1° |
| CX | CY | N02 | H02 | 72.1° | 94.8° |
| CX | CY | C06 | C07 | 174.9° | 175.0° |
| CX | CY | C06 | H061 | 66.3° | 65.0° |
| CX | CY | C06 | H062 | 54.9° | 55.0° |
| CZ | CX | OX | HX | 118.3° | 120.0° |
| CZ | CX | CY | N02 | 61.0° | 176.2° |
| CZ | CX | CY | C06 | 179.8° | 63.8° |
| CZ | CX | CY | HY | 60.8° | 56.2° |
| CX | CZ | N13 | S16 | 179.7° | 117.8° |
| CX | CZ | N13 | HZ | 17.0° | 124.5° |
| CX | CZ | S16 | HZ | 11.1° | 124.5° |
| CZ | CX | OX | HOX | 126.2° | 180.0° |
| CX | CZ | N13 | C14 | 179.6° | 117.7° |
| CX | CZ | N13 | H13 | 60.3° | 62.2° |
| CX | CZ | S16 | C15 | 179.6° | 117.7° |
| OX | CX | CY | N02 | 178.2° | 63.8° |
| OX | CX | CY | C06 | 59.0° | 56.2° |
| OX | CX | CY | HY | 60.1° | 176.2° |
| OX | CX | CZ | N13 | 139.5° | 64.4° |
| OX | CX | CZ | S16 | 40.8° | 175.3° |
| OX | CX | CZ | HZ | 12.6° | 60.1° |
| HX | CX | CY | N02 | 57.3° | 56.2° |
| HX | CX | CY | C06 | 61.9° | 176.2° |
| HX | CX | CY | HY | 179.1° | 63.8° |
| HX | CX | CZ | N13 | 18.7° | 55.6° |
| HX | CX | CZ | S16 | 161.6° | 55.2° |
| HX | CX | CZ | HZ | 133.4° | 179.9° |
| HX | CX | OX | HOX | 7.9° | 60.0° |
| N02 | CY | C06 | HY | 121.8° | 120.0° |
| CY | N02 | C19 | H02 | 180.0° | 179.9° |
| N02 | CY | C06 | C07 | 56.0° | 65.0° |
| N02 | CY | C06 | H061 | 174.8° | 55.1° |
| N02 | CY | C06 | H062 | 64.0° | 175.0° |
| CY | N02 | C19 | C18 | 179.4° | 174.8° |
| CY | N02 | C19 | O20 | 0.5° | 5.3° |
| C06 | CY | N02 | C19 | 130.5° | 154.9° |
| C06 | CY | N02 | H02 | 49.5° | 25.2° |
| CY | C06 | C07 | H061 | 118.8° | 120.1° |
| CY | C06 | C07 | H062 | 120.0° | 120.0° |
| CY | C06 | H061 | H062 | 119.3° | 120.0° |
| CY | C06 | C07 | C08 | 174.9° | 180.0° |
| CY | C06 | C07 | H071 | 66.3° | 59.9° |
| CY | C06 | C07 | H072 | 54.9° | 60.1° |
| HY | CY | N02 | C19 | 11.4° | 34.9° |
| HY | CY | N02 | H02 | 168.6° | 145.1° |
| HY | CY | C06 | C07 | 65.8° | 55.0° |
| HY | CY | C06 | H061 | 53.0° | 175.1° |
| HY | CY | C06 | H062 | 174.2° | 65.0° |
| N13 | CZ | S16 | HZ | 169.2° | 117.7° |
| CZ | N13 | C14 | H13 | 120.0° | 179.9° |
| CZ | N13 | C14 | C15 | 0.0° | 0.1° |
| CZ | N13 | C14 | H14 | 180.0° | 180.0° |
| N13 | CZ | S16 | C15 | 0.1° | 0.0° |
| S16 | CZ | N13 | C14 | 0.1° | 0.1° |
| S16 | CZ | N13 | H13 | 120.0° | 180.0° |
| CZ | S16 | C15 | C14 | 0.1° | 0.0° |
| CZ | S16 | C15 | H15 | 179.9° | 180.0° |
| HZ | CZ | N13 | C14 | 163.3° | 117.9° |
| HZ | CZ | N13 | H13 | 43.3° | 62.2° |
| HZ | CZ | S16 | C15 | 169.3° | 117.8° |
| N02 | C19 | C18 | N17 | 135.6° | 152.0° |
| N02 | C19 | C18 | O20 | 179.9° | 180.0° |
| N02 | C19 | C18 | C21 | 102.0° | 88.0° |
| N02 | C19 | C18 | H18 | 16.0° | 32.1° |
| H02 | N02 | C19 | C18 | 0.6° | 5.3° |
| H02 | N02 | C19 | O20 | 179.5° | 174.7° |
| C07 | C06 | H061 | H062 | 119.2° | 120.0° |
| C06 | C07 | C08 | H071 | 118.8° | 120.1° |
| C06 | C07 | C08 | H072 | 120.0° | 120.0° |
| C06 | C07 | H071 | H072 | 119.2° | 120.0° |
| C06 | C07 | C08 | N09 | 168.2° | 180.0° |
| C06 | C07 | C08 | H081 | 47.4° | 60.0° |
| C06 | C07 | C08 | H082 | 71.8° | 60.1° |
| H061 | C06 | C07 | C08 | 56.1° | 59.9° |
| H061 | C06 | C07 | H071 | 174.9° | 180.0° |
| H061 | C06 | C07 | H072 | 63.9° | 60.0° |
| H062 | C06 | C07 | C08 | 65.1° | 60.0° |
| H062 | C06 | C07 | H071 | 53.7° | 60.0° |
| H062 | C06 | C07 | H072 | 174.9° | 180.0° |
| C08 | C07 | H071 | H072 | 119.2° | 119.9° |
| C07 | C08 | N09 | H081 | 120.8° | 120.0° |
| C07 | C08 | N09 | H082 | 120.0° | 120.0° |
| C07 | C08 | H081 | H082 | 120.5° | 120.0° |
| C07 | C08 | N09 | C10 | 173.2° | 180.0° |
| C07 | C08 | N09 | H09 | 6.8° | 0.0° |
| H071 | C07 | C08 | N09 | 73.0° | 59.9° |
| H071 | C07 | C08 | H081 | 166.2° | 180.0° |
| H071 | C07 | C08 | H082 | 47.0° | 60.0° |
| H072 | C07 | C08 | N09 | 48.2° | 60.0° |
| H072 | C07 | C08 | H081 | 72.6° | 60.0° |
| H072 | C07 | C08 | H082 | 168.2° | 180.0° |
| N09 | C08 | H081 | H082 | 120.5° | 120.0° |
| C08 | N09 | C10 | H09 | 180.0° | 180.0° |
| C08 | N09 | C10 | N11 | 20.5° | 180.0° |
| C08 | N09 | C10 | NP2 | 158.9° | 0.0° |
| H081 | C08 | N09 | C10 | 52.5° | 60.0° |
| H081 | C08 | N09 | H09 | 127.5° | 120.0° |
| H082 | C08 | N09 | C10 | 66.8° | 60.0° |
| H082 | C08 | N09 | H09 | 113.2° | 120.0° |
| N09 | C10 | N11 | NP2 | 179.4° | 180.0° |
| N09 | C10 | N11 | H111 | 0.0° | 0.0° |
| N09 | C10 | N11 | H112 | 180.0° | 180.0° |
| N09 | C10 | NP2 | HP2 | 0.3° | 180.0° |
| H09 | N09 | C10 | N11 | 159.5° | 0.0° |
| H09 | N09 | C10 | NP2 | 21.1° | 180.0° |
| C10 | N11 | H111 | H112 | 180.0° | 180.0° |
| N11 | C10 | NP2 | HP2 | 179.7° | 0.0° |
| NP2 | C10 | N11 | H111 | 179.4° | 180.0° |
| NP2 | C10 | N11 | H112 | 0.6° | 0.0° |
| N13 | C14 | C15 | H14 | 180.0° | 179.9° |
| N13 | C14 | C15 | S16 | 0.1° | 0.1° |
| N13 | C14 | C15 | H15 | 179.9° | 179.9° |
| H13 | N13 | C14 | C15 | 120.0° | 180.0° |
| H13 | N13 | C14 | H14 | 59.9° | 0.1° |
| C14 | C15 | S16 | H15 | 180.0° | 180.0° |
| H14 | C14 | C15 | S16 | 179.9° | 180.0° |
| H14 | C14 | C15 | H15 | 0.1° | 0.0° |
| C18 | N17 | C26 | H17 | 180.0° | 180.0° |
| N17 | C18 | C19 | C21 | 122.4° | 120.0° |
| N17 | C18 | C19 | H18 | 119.6° | 120.0° |
| N17 | C18 | C21 | H18 | 119.5° | 120.0° |
| N17 | C18 | C19 | O20 | 44.3° | 28.0° |
| N17 | C18 | C21 | C22 | 76.2° | 177.3° |
| N17 | C18 | C21 | C23 | 44.9° | 57.3° |
| N17 | C18 | C21 | H21 | 163.6° | 62.7° |
| C18 | N17 | C26 | C25 | 179.9° | 180.0° |
| C18 | N17 | C26 | O27 | 0.4° | 0.1° |
| C26 | N17 | C18 | C19 | 60.7° | 155.0° |
| C26 | N17 | C18 | C21 | 178.2° | 85.0° |
| C26 | N17 | C18 | H18 | 60.2° | 35.0° |
| N17 | C26 | C25 | N24 | 26.6° | 180.0° |
| N17 | C26 | C25 | O27 | 179.8° | 179.9° |
| N17 | C26 | C25 | C28 | 93.6° | 60.0° |
| N17 | C26 | C25 | H25 | 147.0° | 60.1° |
| H17 | N17 | C18 | C19 | 119.3° | 25.0° |
| H17 | N17 | C18 | C21 | 1.8° | 95.0° |
| H17 | N17 | C18 | H18 | 119.8° | 145.0° |
| H17 | N17 | C26 | C25 | 0.2° | 0.0° |
| H17 | N17 | C26 | O27 | 179.6° | 179.9° |
| C19 | C18 | C21 | H18 | 120.8° | 120.0° |
| C19 | C18 | C21 | C22 | 164.1° | 62.7° |
| C19 | C18 | C21 | C23 | 74.8° | 177.3° |
| C19 | C18 | C21 | H21 | 43.9° | 57.3° |
| C21 | C18 | C19 | O20 | 78.1° | 92.0° |
| C18 | C21 | C22 | C23 | 123.7° | 120.0° |
| C18 | C21 | C22 | H21 | 117.5° | 119.9° |
| C18 | C21 | C23 | H21 | 117.4° | 120.0° |
| C18 | C21 | C22 | H221 | 30.3° | 174.3° |
| C18 | C21 | C22 | H222 | 150.3° | 65.7° |
| C18 | C21 | C22 | H223 | 89.7° | 54.3° |
| C18 | C21 | C23 | H231 | 25.9° | 60.0° |
| C18 | C21 | C23 | H232 | 145.9° | 60.1° |
| C18 | C21 | C23 | H233 | 94.0° | 180.0° |
| H18 | C18 | C19 | O20 | 163.9° | 148.0° |
| H18 | C18 | C21 | C22 | 43.3° | 57.4° |
| H18 | C18 | C21 | C23 | 164.4° | 62.6° |
| H18 | C18 | C21 | H21 | 77.0° | 177.3° |
| C22 | C21 | C23 | H21 | 120.3° | 120.0° |
| C21 | C22 | H221 | H222 | 120.0° | 120.0° |
| C21 | C22 | H221 | H223 | 120.0° | 119.9° |
| C21 | C22 | H222 | H223 | 120.0° | 120.0° |
| C22 | C21 | C23 | H231 | 96.4° | 60.0° |
| C22 | C21 | C23 | H232 | 23.6° | 180.0° |
| C22 | C21 | C23 | H233 | 143.7° | 60.0° |
| C23 | C21 | C22 | H221 | 154.0° | 54.3° |
| C23 | C21 | C22 | H222 | 86.0° | 174.3° |
| C23 | C21 | C22 | H223 | 34.0° | 65.7° |
| C21 | C23 | H231 | H232 | 120.0° | 120.1° |
| C21 | C23 | H231 | H233 | 120.0° | 120.0° |
| C21 | C23 | H232 | H233 | 120.1° | 120.0° |
| H21 | C21 | C22 | H221 | 87.2° | 65.8° |
| H21 | C21 | C22 | H222 | 32.8° | 54.3° |
| H21 | C21 | C22 | H223 | 152.8° | 174.3° |
| H21 | C21 | C23 | H231 | 143.3° | 180.0° |
| H21 | C21 | C23 | H232 | 96.7° | 59.9° |
| H21 | C21 | C23 | H233 | 23.4° | 60.0° |
| H221 | C22 | H222 | H223 | 120.0° | 120.0° |
| H231 | C23 | H232 | H233 | 120.0° | 120.0° |
| C25 | N24 | C32 | H24 | 180.0° | 180.0° |
| N24 | C25 | C26 | C28 | 120.2° | 120.0° |
| N24 | C25 | C26 | H25 | 120.5° | 120.0° |
| N24 | C25 | C28 | H25 | 120.4° | 120.0° |
| N24 | C25 | C26 | O27 | 153.7° | 0.1° |
| N24 | C25 | C28 | C29 | 60.9° | 57.6° |
| N24 | C25 | C28 | H281 | 179.6° | 177.6° |
| N24 | C25 | C28 | H282 | 59.1° | 62.3° |
| C25 | N24 | C32 | O33 | 0.0° | 5.2° |
| C25 | N24 | C32 | N34 | 179.8° | 174.9° |
| C32 | N24 | C25 | C26 | 89.4° | 154.3° |
| C32 | N24 | C25 | C28 | 149.7° | 85.6° |
| C32 | N24 | C25 | H25 | 30.3° | 34.4° |
| N24 | C32 | O33 | N34 | 179.8° | 180.0° |
| N24 | C32 | N34 | C35 | 179.3° | 180.0° |
| N24 | C32 | N34 | H34 | 0.7° | 0.0° |
| H24 | N24 | C25 | C26 | 90.6° | 25.7° |
| H24 | N24 | C25 | C28 | 30.3° | 94.3° |
| H24 | N24 | C25 | H25 | 149.7° | 145.6° |
| H24 | N24 | C32 | O33 | 180.0° | 174.8° |
| H24 | N24 | C32 | N34 | 0.2° | 5.1° |
| C26 | C25 | C28 | H25 | 119.7° | 120.0° |
| C26 | C25 | C28 | C29 | 179.2° | 62.4° |
| C26 | C25 | C28 | H281 | 60.5° | 57.6° |
| C26 | C25 | C28 | H282 | 60.8° | 177.7° |
| C28 | C25 | C26 | O27 | 86.2° | 119.9° |
| C25 | C28 | C29 | H281 | 118.6° | 120.1° |
| C25 | C28 | C29 | H282 | 120.0° | 120.0° |
| C25 | C28 | H281 | H282 | 119.1° | 120.0° |
| C25 | C28 | C29 | O30 | 0.4° | 3.9° |
| C25 | C28 | C29 | N31 | 179.9° | 176.1° |
| H25 | C25 | C26 | O27 | 33.2° | 120.0° |
| H25 | C25 | C28 | C29 | 59.5° | 177.6° |
| H25 | C25 | C28 | H281 | 59.1° | 62.3° |
| H25 | C25 | C28 | H282 | 179.5° | 57.7° |
| C29 | C28 | H281 | H282 | 119.2° | 119.9° |
| C28 | C29 | O30 | N31 | 179.7° | 180.0° |
| C28 | C29 | N31 | H311 | 0.0° | 0.0° |
| C28 | C29 | N31 | H312 | 180.0° | 179.9° |
| H281 | C28 | C29 | O30 | 118.2° | 116.2° |
| H281 | C28 | C29 | N31 | 61.5° | 63.9° |
| H282 | C28 | C29 | O30 | 120.4° | 123.9° |
| H282 | C28 | C29 | N31 | 59.9° | 56.1° |
| O30 | C29 | N31 | H311 | 179.8° | 180.0° |
| O30 | C29 | N31 | H312 | 0.2° | 0.0° |
| C29 | N31 | H311 | H312 | 180.0° | 179.9° |
| O33 | C32 | N34 | C35 | 0.5° | 0.0° |
| O33 | C32 | N34 | H34 | 179.5° | 179.9° |
| C32 | N34 | C35 | H34 | 180.0° | 179.9° |
| C32 | N34 | C35 | C36 | 60.7° | 155.0° |
| C32 | N34 | C35 | C43 | 177.7° | 85.0° |
| C32 | N34 | C35 | H35 | 58.5° | 34.9° |
| N34 | C35 | C36 | C43 | 120.1° | 120.0° |
| N34 | C35 | C36 | H35 | 120.7° | 120.1° |
| N34 | C35 | C43 | H35 | 120.7° | 120.0° |
| N34 | C35 | C36 | C37 | 139.1° | 39.7° |
| N34 | C35 | C36 | C41 | 41.4° | 140.0° |
| N34 | C35 | C43 | H431 | 27.8° | 60.0° |
| N34 | C35 | C43 | H432 | 147.8° | 60.0° |
| N34 | C35 | C43 | H433 | 92.2° | 180.0° |
| H34 | N34 | C35 | C36 | 119.3° | 25.0° |
| H34 | N34 | C35 | C43 | 2.3° | 95.0° |
| H34 | N34 | C35 | H35 | 121.5° | 145.0° |
| C36 | C35 | C43 | H35 | 119.1° | 120.0° |
| C35 | C36 | C37 | C41 | 179.6° | 179.8° |
| C35 | C36 | C37 | C38 | 179.5° | 179.8° |
| C35 | C36 | C37 | H37 | 0.4° | 0.2° |
| C35 | C36 | C41 | C40 | 179.6° | 180.0° |
| C35 | C36 | C41 | H41 | 0.4° | 0.0° |
| C36 | C35 | C43 | H431 | 92.4° | 60.0° |
| C36 | C35 | C43 | H432 | 27.6° | 180.0° |
| C36 | C35 | C43 | H433 | 147.7° | 60.0° |
| C43 | C35 | C36 | C37 | 100.8° | 80.2° |
| C43 | C35 | C36 | C41 | 78.8° | 100.0° |
| C35 | C43 | H431 | H432 | 120.0° | 119.9° |
| C35 | C43 | H431 | H433 | 120.0° | 120.0° |
| C35 | C43 | H432 | H433 | 120.0° | 120.0° |
| H35 | C35 | C36 | C37 | 18.4° | 159.8° |
| H35 | C35 | C36 | C41 | 162.1° | 20.0° |
| H35 | C35 | C43 | H431 | 148.5° | 180.0° |
| H35 | C35 | C43 | H432 | 91.5° | 60.0° |
| H35 | C35 | C43 | H433 | 28.5° | 60.0° |
| C36 | C37 | C38 | H37 | 180.0° | 179.6° |
| C36 | C37 | C38 | C39 | 0.0° | 0.4° |
| C36 | C37 | C38 | H38 | 180.0° | 179.7° |
| C37 | C36 | C41 | C40 | 0.0° | 0.2° |
| C37 | C36 | C41 | H41 | 180.0° | 179.8° |
| C41 | C36 | C37 | C38 | 0.0° | 0.4° |
| C41 | C36 | C37 | H37 | 180.0° | 180.0° |
| C36 | C41 | C40 | C39 | 0.1° | 0.0° |
| C36 | C41 | C40 | H41 | 180.0° | 180.0° |
| C36 | C41 | C40 | H40 | 179.9° | 180.0° |
| C37 | C38 | C39 | H38 | 180.0° | 179.9° |
| C37 | C38 | C39 | C40 | 0.1° | 0.2° |
| C37 | C38 | C39 | BR | 179.4° | 179.7° |
| H37 | C37 | C38 | C39 | 180.0° | 180.0° |
| H37 | C37 | C38 | H38 | 0.1° | 0.1° |
| C38 | C39 | C40 | BR | 179.5° | 179.9° |
| C38 | C39 | C40 | C41 | 0.1° | 0.1° |
| C38 | C39 | C40 | H40 | 179.9° | 180.0° |
| H38 | C38 | C39 | C40 | 179.9° | 179.9° |
| H38 | C38 | C39 | BR | 0.6° | 0.2° |
| C39 | C40 | C41 | H40 | 180.0° | 179.9° |
| C39 | C40 | C41 | H41 | 179.9° | 180.0° |
| BR | C39 | C40 | C41 | 179.4° | 180.0° |
| BR | C39 | C40 | H40 | 0.6° | 0.1° |
| H40 | C40 | C41 | H41 | 0.1° | 0.1° |
| H431 | C43 | H432 | H433 | 120.0° | 120.1° |
