A1BMU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N28 | C29 | sing | 1.46Å | 1.53Å | |
| N28 | C27 | sing | 1.33Å | 1.51Å | |
| O32 | C27 | doub | 1.21Å | 1.18Å | |
| C29 | C30 | sing | 1.53Å | 1.45Å | |
| C27 | C26 | sing | 1.50Å | 1.56Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C25 | C24 | sing | 1.53Å | 1.52Å | |
| O43 | C33 | sing | 1.43Å | 1.38Å | |
| C26 | C31 | sing | 1.53Å | 1.44Å | |
| C30 | C31 | sing | 1.53Å | 1.45Å | |
| C33 | C24 | sing | 1.53Å | 1.54Å | |
| C33 | C34 | sing | 1.51Å | 1.54Å | |
| C24 | N23 | sing | 1.46Å | 1.47Å | |
| C34 | N35 | doub | 1.28Å | 1.38Å | Aromatic |
| C34 | S42 | sing | 1.71Å | 1.69Å | Aromatic |
| N23 | C22 | sing | 1.35Å | 1.48Å | |
| N35 | C36 | sing | 1.35Å | 1.45Å | Aromatic |
| C11 | C09 | sing | 1.53Å | 1.53Å | |
| S42 | C41 | sing | 1.76Å | 1.68Å | Aromatic |
| C22 | O44 | doub | 1.21Å | 1.20Å | |
| C22 | C21 | sing | 1.51Å | 1.56Å | |
| O20 | C07 | doub | 1.21Å | 1.21Å | |
| C36 | C41 | doub | 1.40Å | 1.39Å | Aromatic |
| C36 | C37 | sing | 1.41Å | 1.41Å | Aromatic |
| C41 | C40 | sing | 1.39Å | 1.41Å | Aromatic |
| C37 | C38 | doub | 1.36Å | 1.39Å | Aromatic |
| C21 | N06 | sing | 1.47Å | 1.44Å | |
| C21 | C45 | sing | 1.53Å | 1.53Å | |
| C07 | N06 | sing | 1.35Å | 1.48Å | |
| C07 | C08 | sing | 1.51Å | 1.53Å | |
| C09 | C12 | sing | 1.53Å | 1.53Å | |
| C09 | C08 | sing | 1.53Å | 1.53Å | |
| C09 | C10 | sing | 1.53Å | 1.53Å | |
| N13 | C08 | sing | 1.47Å | 1.42Å | |
| N13 | C14 | sing | 1.35Å | 1.44Å | |
| N06 | C05 | sing | 1.47Å | 1.43Å | |
| C45 | C46 | sing | 1.51Å | 1.55Å | |
| F16 | C15 | sing | 1.40Å | 1.36Å | |
| C40 | C39 | doub | 1.38Å | 1.40Å | Aromatic |
| F18 | C15 | sing | 1.40Å | 1.36Å | |
| C38 | C39 | sing | 1.39Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.51Å | 1.52Å | |
| C15 | F17 | sing | 1.40Å | 1.36Å | |
| C14 | O19 | doub | 1.21Å | 1.19Å | |
| C05 | C04 | sing | 1.51Å | 1.52Å | |
| C46 | C04 | doub | 1.38Å | 1.37Å | Aromatic |
| C46 | C47 | sing | 1.39Å | 1.42Å | Aromatic |
| C04 | C03 | sing | 1.39Å | 1.41Å | Aromatic |
| C47 | C48 | doub | 1.38Å | 1.39Å | Aromatic |
| C03 | C02 | doub | 1.38Å | 1.38Å | Aromatic |
| C48 | C02 | sing | 1.38Å | 1.39Å | Aromatic |
| C02 | F01 | sing | 1.35Å | 1.36Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H103 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H113 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | H123 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| N23 | H231 | sing | 0.97Å | 1.00Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C33 | H1 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.08Å | 1.08Å | |
| C38 | H381 | sing | 1.08Å | 1.08Å | |
| C39 | H391 | sing | 1.08Å | 1.08Å | |
| C40 | H401 | sing | 1.08Å | 1.08Å | |
| C45 | H451 | sing | 1.09Å | 1.10Å | |
| C45 | H452 | sing | 1.09Å | 1.10Å | |
| C47 | H471 | sing | 1.08Å | 1.08Å | |
| C48 | H481 | sing | 1.08Å | 1.08Å | |
| N13 | H131 | sing | 0.97Å | 1.00Å | |
| N28 | H281 | sing | 0.97Å | 1.00Å | |
| O43 | H431 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C29 | N28 | C27 | 119.7° | 124.1° |
| N28 | C29 | C30 | 113.0° | 110.5° |
| N28 | C29 | H292 | 108.6° | 109.3° |
| N28 | C29 | H291 | 108.6° | 109.2° |
| C29 | N28 | H281 | 120.2° | 118.0° |
| N28 | C27 | O32 | 120.6° | 118.2° |
| N28 | C27 | C26 | 116.2° | 123.5° |
| C27 | N28 | H281 | 120.1° | 117.9° |
| O32 | C27 | C26 | 123.2° | 118.2° |
| C29 | C30 | C31 | 111.8° | 108.7° |
| C29 | C30 | H302 | 108.9° | 109.7° |
| C29 | C30 | H301 | 108.9° | 109.7° |
| C30 | C29 | H292 | 108.6° | 109.3° |
| C30 | C29 | H291 | 108.6° | 109.3° |
| C27 | C26 | C25 | 107.1° | 109.4° |
| C27 | C26 | C31 | 115.6° | 109.9° |
| C27 | C26 | H261 | 105.1° | 109.4° |
| C26 | C25 | C24 | 110.4° | 109.4° |
| C25 | C26 | C31 | 116.4° | 109.4° |
| C26 | C25 | H252 | 109.2° | 109.5° |
| C26 | C25 | H251 | 109.2° | 109.4° |
| C25 | C26 | H261 | 105.3° | 109.4° |
| C25 | C24 | C33 | 113.7° | 109.4° |
| C25 | C24 | N23 | 109.5° | 109.4° |
| C25 | C24 | H241 | 109.7° | 109.4° |
| C24 | C25 | H252 | 109.2° | 109.5° |
| C24 | C25 | H251 | 109.2° | 109.5° |
| O43 | C33 | C24 | 108.9° | 109.5° |
| O43 | C33 | C34 | 108.0° | 109.5° |
| O43 | C33 | H1 | 112.5° | 109.4° |
| C33 | O43 | H431 | 109.5° | 113.9° |
| C26 | C31 | C30 | 115.6° | 108.5° |
| C26 | C31 | H311 | 107.9° | 109.7° |
| C26 | C31 | H312 | 107.9° | 109.7° |
| C31 | C26 | H261 | 106.4° | 109.3° |
| C31 | C30 | H302 | 108.9° | 109.6° |
| C31 | C30 | H301 | 108.9° | 109.6° |
| C30 | C31 | H311 | 107.9° | 109.7° |
| C30 | C31 | H312 | 107.9° | 109.7° |
| C24 | C33 | C34 | 107.0° | 109.5° |
| C33 | C24 | N23 | 103.9° | 109.5° |
| C33 | C24 | H241 | 109.5° | 109.5° |
| C24 | C33 | H1 | 110.2° | 109.5° |
| C33 | C34 | N35 | 120.8° | 124.2° |
| C33 | C34 | S42 | 129.0° | 124.3° |
| C34 | C33 | H1 | 110.1° | 109.5° |
| C24 | N23 | C22 | 121.1° | 119.9° |
| C24 | N23 | H231 | 119.4° | 120.1° |
| N23 | C24 | H241 | 110.4° | 109.5° |
| N35 | C34 | S42 | 110.1° | 111.5° |
| C34 | N35 | C36 | 110.0° | 117.8° |
| C34 | S42 | C41 | 97.5° | 90.9° |
| N23 | C22 | O44 | 122.4° | 120.0° |
| N23 | C22 | C21 | 114.7° | 119.9° |
| C22 | N23 | H231 | 119.4° | 120.0° |
| N35 | C36 | C41 | 115.8° | 111.8° |
| N35 | C36 | C37 | 123.6° | 129.7° |
| C11 | C09 | C12 | 109.1° | 109.5° |
| C11 | C09 | C08 | 111.2° | 109.5° |
| C11 | C09 | C10 | 111.7° | 109.5° |
| C09 | C11 | H111 | 109.5° | 109.5° |
| C09 | C11 | H113 | 109.5° | 109.4° |
| C09 | C11 | H112 | 109.5° | 109.5° |
| S42 | C41 | C36 | 106.7° | 108.0° |
| S42 | C41 | C40 | 133.9° | 131.8° |
| O44 | C22 | C21 | 122.9° | 120.0° |
| C22 | C21 | N06 | 108.6° | 109.8° |
| C22 | C21 | C45 | 105.8° | 109.8° |
| C22 | C21 | H211 | 108.5° | 109.8° |
| O20 | C07 | N06 | 116.9° | 120.0° |
| O20 | C07 | C08 | 123.8° | 120.0° |
| C41 | C36 | C37 | 120.6° | 118.5° |
| C36 | C41 | C40 | 119.5° | 120.2° |
| C36 | C37 | C38 | 119.8° | 120.4° |
| C36 | C37 | H371 | 120.1° | 119.8° |
| C41 | C40 | C39 | 120.1° | 120.0° |
| C41 | C40 | H401 | 119.9° | 120.0° |
| C37 | C38 | C39 | 120.0° | 120.8° |
| C38 | C37 | H371 | 120.1° | 119.8° |
| C37 | C38 | H381 | 120.0° | 119.6° |
| N06 | C21 | C45 | 114.9° | 107.9° |
| C21 | N06 | C07 | 114.9° | 121.3° |
| C21 | N06 | C05 | 118.9° | 117.4° |
| N06 | C21 | H211 | 110.1° | 109.7° |
| C21 | C45 | C46 | 110.5° | 110.8° |
| C45 | C21 | H211 | 108.8° | 109.8° |
| C21 | C45 | H451 | 109.2° | 109.2° |
| C21 | C45 | H452 | 109.2° | 109.2° |
| N06 | C07 | C08 | 119.3° | 120.0° |
| C07 | N06 | C05 | 126.1° | 121.4° |
| C07 | C08 | C09 | 112.5° | 109.5° |
| C07 | C08 | N13 | 102.6° | 109.5° |
| C07 | C08 | H081 | 108.6° | 109.4° |
| C12 | C09 | C08 | 107.3° | 109.5° |
| C12 | C09 | C10 | 108.4° | 109.5° |
| C09 | C12 | H123 | 109.5° | 109.5° |
| C09 | C12 | H122 | 109.4° | 109.5° |
| C09 | C12 | H121 | 109.5° | 109.5° |
| C08 | C09 | C10 | 109.1° | 109.5° |
| C09 | C08 | N13 | 114.5° | 109.5° |
| C09 | C08 | H081 | 108.5° | 109.5° |
| C09 | C10 | H101 | 109.5° | 109.5° |
| C09 | C10 | H103 | 109.5° | 109.5° |
| C09 | C10 | H102 | 109.5° | 109.5° |
| C08 | N13 | C14 | 119.3° | 120.0° |
| N13 | C08 | H081 | 109.9° | 109.5° |
| C08 | N13 | H131 | 120.3° | 120.0° |
| N13 | C14 | C15 | 116.6° | 120.0° |
| N13 | C14 | O19 | 121.0° | 120.0° |
| C14 | N13 | H131 | 120.4° | 120.0° |
| N06 | C05 | C04 | 107.5° | 109.7° |
| N06 | C05 | H051 | 110.0° | 109.4° |
| N06 | C05 | H052 | 110.0° | 109.4° |
| C45 | C46 | C04 | 117.3° | 122.9° |
| C45 | C46 | C47 | 121.6° | 117.5° |
| C46 | C45 | H451 | 109.2° | 109.2° |
| C46 | C45 | H452 | 109.2° | 109.2° |
| F16 | C15 | F18 | 109.7° | 109.4° |
| F16 | C15 | C14 | 106.7° | 109.5° |
| F16 | C15 | F17 | 110.8° | 109.5° |
| C40 | C39 | C38 | 120.0° | 120.1° |
| C40 | C39 | H391 | 120.0° | 120.0° |
| C39 | C40 | H401 | 120.0° | 120.0° |
| F18 | C15 | C14 | 109.5° | 109.5° |
| F18 | C15 | F17 | 110.2° | 109.5° |
| C39 | C38 | H381 | 120.0° | 119.6° |
| C38 | C39 | H391 | 120.0° | 120.0° |
| C14 | C15 | F17 | 109.8° | 109.4° |
| C15 | C14 | O19 | 122.4° | 120.0° |
| C05 | C04 | C46 | 118.4° | 122.3° |
| C05 | C04 | C03 | 121.9° | 117.8° |
| C04 | C05 | H051 | 109.9° | 109.4° |
| C04 | C05 | H052 | 110.0° | 109.4° |
| C04 | C46 | C47 | 121.1° | 119.6° |
| C46 | C04 | C03 | 119.7° | 119.8° |
| C46 | C47 | C48 | 118.7° | 120.6° |
| C46 | C47 | H471 | 120.6° | 119.7° |
| C04 | C03 | C02 | 119.2° | 120.5° |
| C04 | C03 | H031 | 120.4° | 119.7° |
| C47 | C48 | C02 | 119.6° | 119.8° |
| C48 | C47 | H471 | 120.7° | 119.6° |
| C47 | C48 | H481 | 120.2° | 120.1° |
| C03 | C02 | C48 | 121.7° | 119.7° |
| C03 | C02 | F01 | 118.9° | 120.2° |
| C02 | C03 | H031 | 120.4° | 119.8° |
| C48 | C02 | F01 | 119.4° | 120.1° |
| C02 | C48 | H481 | 120.2° | 120.1° |
| H101 | C10 | H103 | 109.5° | 109.4° |
| H101 | C10 | H102 | 109.5° | 109.5° |
| H103 | C10 | H102 | 109.4° | 109.4° |
| H111 | C11 | H113 | 109.5° | 109.4° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H113 | C11 | H112 | 109.5° | 109.5° |
| H123 | C12 | H122 | 109.5° | 109.5° |
| H123 | C12 | H121 | 109.5° | 109.4° |
| H122 | C12 | H121 | 109.5° | 109.4° |
| H302 | C30 | H301 | 109.5° | 109.6° |
| H311 | C31 | H312 | 109.5° | 109.6° |
| H051 | C05 | H052 | 109.5° | 109.5° |
| H252 | C25 | H251 | 109.5° | 109.5° |
| H292 | C29 | H291 | 109.5° | 109.3° |
| H451 | C45 | H452 | 109.5° | 109.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C29 | N28 | C27 | H281 | 180.0° | 180.0° |
| C29 | N28 | C27 | O32 | 179.7° | 178.1° |
| N28 | C29 | C30 | H292 | 120.5° | 120.3° |
| N28 | C29 | C30 | H291 | 120.5° | 120.2° |
| C29 | N28 | C27 | C26 | 0.2° | 2.2° |
| N28 | C29 | C30 | C31 | 51.3° | 50.7° |
| N28 | C29 | C30 | H302 | 69.0° | 170.5° |
| N28 | C29 | C30 | H301 | 171.7° | 69.1° |
| N28 | C29 | H292 | H291 | 118.4° | 119.4° |
| N28 | C27 | O32 | C26 | 179.9° | 179.8° |
| C27 | N28 | C29 | C30 | 21.3° | 19.0° |
| N28 | C27 | C26 | C25 | 139.9° | 137.7° |
| N28 | C27 | C26 | C31 | 8.4° | 17.5° |
| N28 | C27 | C26 | H261 | 108.5° | 102.5° |
| C27 | N28 | C29 | H292 | 141.8° | 101.3° |
| C27 | N28 | C29 | H291 | 99.2° | 139.3° |
| O32 | C27 | C26 | C25 | 40.3° | 42.6° |
| O32 | C27 | C26 | C31 | 171.7° | 162.7° |
| O32 | C27 | C26 | H261 | 71.4° | 77.3° |
| O32 | C27 | N28 | H281 | 0.3° | 1.9° |
| C29 | C30 | C31 | C26 | 63.3° | 67.5° |
| C29 | C30 | C31 | H302 | 120.3° | 119.8° |
| C29 | C30 | C31 | H301 | 120.3° | 119.9° |
| C29 | C30 | H302 | H301 | 118.9° | 120.5° |
| C29 | C30 | C31 | H311 | 57.6° | 172.8° |
| C29 | C30 | C31 | H312 | 175.9° | 52.3° |
| C30 | C29 | H292 | H291 | 118.4° | 119.6° |
| C30 | C29 | N28 | H281 | 158.8° | 161.0° |
| C27 | C26 | C25 | C31 | 131.0° | 120.4° |
| C27 | C26 | C25 | H261 | 111.5° | 119.8° |
| C27 | C26 | C25 | C24 | 177.0° | 69.3° |
| C27 | C26 | C31 | H261 | 116.2° | 120.0° |
| C27 | C26 | C31 | C30 | 39.7° | 48.9° |
| C27 | C26 | C31 | H311 | 81.2° | 168.6° |
| C27 | C26 | C31 | H312 | 160.6° | 70.9° |
| C27 | C26 | C25 | H252 | 62.9° | 50.7° |
| C27 | C26 | C25 | H251 | 56.8° | 170.7° |
| C26 | C27 | N28 | H281 | 179.8° | 177.8° |
| C26 | C25 | C24 | H252 | 120.1° | 120.0° |
| C26 | C25 | C24 | H251 | 120.2° | 119.9° |
| C25 | C26 | C31 | H261 | 116.9° | 119.8° |
| C25 | C26 | C31 | C30 | 166.6° | 169.0° |
| C26 | C25 | C24 | C33 | 170.4° | 93.3° |
| C26 | C25 | C24 | N23 | 73.8° | 146.7° |
| C26 | C25 | C24 | H241 | 47.4° | 26.6° |
| C25 | C26 | C31 | H311 | 45.7° | 71.2° |
| C25 | C26 | C31 | H312 | 72.5° | 49.2° |
| C26 | C25 | H252 | H251 | 119.6° | 120.0° |
| C25 | C24 | C33 | O43 | 65.5° | 58.5° |
| C24 | C25 | C26 | C31 | 52.0° | 170.3° |
| C25 | C24 | C33 | N23 | 119.0° | 120.0° |
| C25 | C24 | C33 | H241 | 123.1° | 120.0° |
| C25 | C24 | C33 | C34 | 177.9° | 61.5° |
| C25 | C24 | N23 | H241 | 120.9° | 120.0° |
| C25 | C24 | N23 | C22 | 119.9° | 85.7° |
| C25 | C24 | N23 | H231 | 60.1° | 94.3° |
| C25 | C24 | C33 | H1 | 58.3° | 178.4° |
| C24 | C25 | H252 | H251 | 119.5° | 120.1° |
| C24 | C25 | C26 | H261 | 65.5° | 50.5° |
| O43 | C33 | C24 | C34 | 116.5° | 120.1° |
| O43 | C33 | C24 | H1 | 123.8° | 119.9° |
| O43 | C33 | C34 | H1 | 123.2° | 119.9° |
| O43 | C33 | C24 | N23 | 175.4° | 61.4° |
| O43 | C33 | C34 | N35 | 55.9° | 174.4° |
| O43 | C33 | C34 | S42 | 126.5° | 5.9° |
| O43 | C33 | C24 | H241 | 57.5° | 178.5° |
| C26 | C31 | C30 | H311 | 120.9° | 119.7° |
| C26 | C31 | C30 | H312 | 120.9° | 119.8° |
| C26 | C31 | C30 | H302 | 57.1° | 172.7° |
| C26 | C31 | C30 | H301 | 176.4° | 52.4° |
| C26 | C31 | H311 | H312 | 117.2° | 120.5° |
| C31 | C26 | C25 | H252 | 68.1° | 69.7° |
| C31 | C26 | C25 | H251 | 172.2° | 50.3° |
| C31 | C30 | H302 | H301 | 119.0° | 120.3° |
| C30 | C31 | H311 | H312 | 117.2° | 120.5° |
| C30 | C31 | C26 | H261 | 76.5° | 71.2° |
| C31 | C30 | C29 | H292 | 171.8° | 69.6° |
| C31 | C30 | C29 | H291 | 69.2° | 170.9° |
| C24 | C33 | C34 | H1 | 119.7° | 120.0° |
| C33 | C24 | N23 | H241 | 117.3° | 120.1° |
| C24 | C33 | C34 | N35 | 61.1° | 65.5° |
| C24 | C33 | C34 | S42 | 116.4° | 114.1° |
| C33 | C24 | N23 | C22 | 118.3° | 154.3° |
| C33 | C24 | N23 | H231 | 61.7° | 25.7° |
| C33 | C24 | C25 | H252 | 50.3° | 146.7° |
| C33 | C24 | C25 | H251 | 69.4° | 26.6° |
| C24 | C33 | O43 | H431 | 180.0° | 60.1° |
| C34 | C33 | C24 | N23 | 58.9° | 178.5° |
| C33 | C34 | N35 | S42 | 178.0° | 179.7° |
| C33 | C34 | N35 | C36 | 178.8° | 179.9° |
| C33 | C34 | S42 | C41 | 178.2° | 179.9° |
| C34 | C33 | C24 | H241 | 59.0° | 58.4° |
| C34 | C33 | O43 | H431 | 64.1° | 60.0° |
| C24 | N23 | C22 | H231 | 180.0° | 180.0° |
| C24 | N23 | C22 | O44 | 2.7° | 3.2° |
| C24 | N23 | C22 | C21 | 176.6° | 176.9° |
| N23 | C24 | C33 | H1 | 60.7° | 58.5° |
| N23 | C24 | C25 | H252 | 166.0° | 26.7° |
| N23 | C24 | C25 | H251 | 46.3° | 93.4° |
| N35 | C34 | S42 | C41 | 0.4° | 0.2° |
| C34 | N35 | C36 | C41 | 1.1° | 0.1° |
| C34 | N35 | C36 | C37 | 179.9° | 179.8° |
| N35 | C34 | C33 | H1 | 179.1° | 54.5° |
| S42 | C34 | N35 | C36 | 0.9° | 0.2° |
| C34 | S42 | C41 | C36 | 0.2° | 0.2° |
| C34 | S42 | C41 | C40 | 179.0° | 179.8° |
| S42 | C34 | C33 | H1 | 3.3° | 125.8° |
| N23 | C22 | O44 | C21 | 179.2° | 179.9° |
| N23 | C22 | C21 | N06 | 147.5° | 115.3° |
| N23 | C22 | C21 | C45 | 88.8° | 3.2° |
| N23 | C22 | C21 | H211 | 27.8° | 123.9° |
| C22 | N23 | C24 | H241 | 1.0° | 34.3° |
| N35 | C36 | C41 | S42 | 0.8° | 0.1° |
| N35 | C36 | C41 | C37 | 178.9° | 179.8° |
| N35 | C36 | C41 | C40 | 179.8° | 179.9° |
| N35 | C36 | C37 | C38 | 179.9° | 179.8° |
| N35 | C36 | C37 | H371 | 0.1° | 0.2° |
| C11 | C09 | C08 | C07 | 55.8° | 61.3° |
| C11 | C09 | C12 | C08 | 120.5° | 120.0° |
| C11 | C09 | C12 | C10 | 121.8° | 120.0° |
| C11 | C09 | C08 | C10 | 123.6° | 120.0° |
| C11 | C09 | C08 | N13 | 60.9° | 178.7° |
| C11 | C09 | C10 | H101 | 180.0° | 60.0° |
| C11 | C09 | C10 | H103 | 60.0° | 180.0° |
| C11 | C09 | C10 | H102 | 60.0° | 60.0° |
| C09 | C11 | H111 | H113 | 120.0° | 120.0° |
| C09 | C11 | H111 | H112 | 120.0° | 120.0° |
| C09 | C11 | H113 | H112 | 120.0° | 120.0° |
| C11 | C09 | C12 | H123 | 180.0° | 60.0° |
| C11 | C09 | C12 | H122 | 60.0° | 180.0° |
| C11 | C09 | C12 | H121 | 60.0° | 60.0° |
| C11 | C09 | C08 | H081 | 176.0° | 58.6° |
| S42 | C41 | C36 | C40 | 179.0° | 180.0° |
| S42 | C41 | C36 | C37 | 179.6° | 180.0° |
| S42 | C41 | C40 | C39 | 179.9° | 180.0° |
| S42 | C41 | C40 | H401 | 0.1° | 0.1° |
| O44 | C22 | C21 | N06 | 33.3° | 64.6° |
| O44 | C22 | C21 | C45 | 90.5° | 176.9° |
| O44 | C22 | C21 | H211 | 152.9° | 56.1° |
| O44 | C22 | N23 | H231 | 177.3° | 176.8° |
| C22 | C21 | N06 | C45 | 118.2° | 119.7° |
| C22 | C21 | N06 | H211 | 118.6° | 120.8° |
| C22 | C21 | C45 | H211 | 116.4° | 120.8° |
| C22 | C21 | N06 | C07 | 75.7° | 3.9° |
| C22 | C21 | N06 | C05 | 101.9° | 176.1° |
| C22 | C21 | C45 | C46 | 150.7° | 167.1° |
| C21 | C22 | N23 | H231 | 3.4° | 3.1° |
| C22 | C21 | C45 | H451 | 30.6° | 46.8° |
| C22 | C21 | C45 | H452 | 89.1° | 72.5° |
| O20 | C07 | N06 | C21 | 1.9° | 4.9° |
| O20 | C07 | N06 | C08 | 178.5° | 179.9° |
| O20 | C07 | C08 | C09 | 79.1° | 78.4° |
| O20 | C07 | C08 | N13 | 44.5° | 41.6° |
| O20 | C07 | N06 | C05 | 179.3° | 175.1° |
| O20 | C07 | C08 | H081 | 160.8° | 161.6° |
| C41 | C36 | C37 | C38 | 1.1° | 0.0° |
| C36 | C41 | C40 | C39 | 1.2° | 0.0° |
| C41 | C36 | C37 | H371 | 178.9° | 180.0° |
| C36 | C41 | C40 | H401 | 178.8° | 179.9° |
| C37 | C36 | C41 | C40 | 1.3° | 0.0° |
| C36 | C37 | C38 | H371 | 180.0° | 179.9° |
| C36 | C37 | C38 | C39 | 0.7° | 0.1° |
| C36 | C37 | C38 | H381 | 179.3° | 180.0° |
| C41 | C40 | C39 | H401 | 180.0° | 179.9° |
| C41 | C40 | C39 | C38 | 0.8° | 0.0° |
| C41 | C40 | C39 | H391 | 179.2° | 179.9° |
| C37 | C38 | C39 | C40 | 0.6° | 0.1° |
| C37 | C38 | C39 | H381 | 180.0° | 179.9° |
| C37 | C38 | C39 | H391 | 179.4° | 180.0° |
| N06 | C21 | C45 | H211 | 123.9° | 119.5° |
| C21 | N06 | C07 | C05 | 177.4° | 180.0° |
| C21 | N06 | C07 | C08 | 179.6° | 175.2° |
| N06 | C21 | C45 | C46 | 31.0° | 47.5° |
| C21 | N06 | C05 | C04 | 54.1° | 44.3° |
| C21 | N06 | C05 | H051 | 173.7° | 164.3° |
| C21 | N06 | C05 | H052 | 65.6° | 75.8° |
| N06 | C21 | C45 | H451 | 89.1° | 72.8° |
| N06 | C21 | C45 | H452 | 151.2° | 167.9° |
| C45 | C21 | N06 | C07 | 166.2° | 115.7° |
| C45 | C21 | N06 | C05 | 16.2° | 64.3° |
| C21 | C45 | C46 | H451 | 120.2° | 120.3° |
| C21 | C45 | C46 | H452 | 120.1° | 120.3° |
| C21 | C45 | C46 | C04 | 39.8° | 20.0° |
| C21 | C45 | C46 | C47 | 140.7° | 160.2° |
| C21 | C45 | H451 | H452 | 119.5° | 119.3° |
| N06 | C07 | C08 | C09 | 102.5° | 101.6° |
| N06 | C07 | C08 | N13 | 133.9° | 138.4° |
| C07 | N06 | C05 | C04 | 128.6° | 135.8° |
| C07 | N06 | C21 | H211 | 43.0° | 124.7° |
| C07 | N06 | C05 | H051 | 9.0° | 15.7° |
| C07 | N06 | C05 | H052 | 111.7° | 104.2° |
| N06 | C07 | C08 | H081 | 17.6° | 18.4° |
| C07 | C08 | C09 | C12 | 63.4° | 58.7° |
| C07 | C08 | C09 | N13 | 116.7° | 120.0° |
| C07 | C08 | C09 | H081 | 120.1° | 120.0° |
| C07 | C08 | C09 | C10 | 179.4° | 178.7° |
| C07 | C08 | N13 | H081 | 115.4° | 120.0° |
| C07 | C08 | N13 | C14 | 107.6° | 155.0° |
| C08 | C07 | N06 | C05 | 2.2° | 4.8° |
| C07 | C08 | N13 | H131 | 72.5° | 25.1° |
| C12 | C09 | C08 | C10 | 117.2° | 120.0° |
| C12 | C09 | C08 | N13 | 179.9° | 61.3° |
| C12 | C09 | C10 | H101 | 59.8° | 180.0° |
| C12 | C09 | C10 | H103 | 179.9° | 60.0° |
| C12 | C09 | C10 | H102 | 60.2° | 60.0° |
| C12 | C09 | C11 | H111 | 180.0° | 55.6° |
| C12 | C09 | C11 | H113 | 60.0° | 175.5° |
| C12 | C09 | C11 | H112 | 60.0° | 64.5° |
| C09 | C12 | H123 | H122 | 120.0° | 120.1° |
| C09 | C12 | H123 | H121 | 120.0° | 120.0° |
| C09 | C12 | H122 | H121 | 120.0° | 120.0° |
| C12 | C09 | C08 | H081 | 56.8° | 178.7° |
| C09 | C08 | N13 | H081 | 122.4° | 120.0° |
| C09 | C08 | N13 | C14 | 130.2° | 85.0° |
| C08 | C09 | C10 | H101 | 56.7° | 60.0° |
| C08 | C09 | C10 | H103 | 63.3° | 60.0° |
| C08 | C09 | C10 | H102 | 176.7° | 180.0° |
| C08 | C09 | C11 | H111 | 61.8° | 64.4° |
| C08 | C09 | C11 | H113 | 58.2° | 55.5° |
| C08 | C09 | C11 | H112 | 178.2° | 175.5° |
| C08 | C09 | C12 | H123 | 59.5° | 180.0° |
| C08 | C09 | C12 | H122 | 179.4° | 60.0° |
| C08 | C09 | C12 | H121 | 60.5° | 60.0° |
| C09 | C08 | N13 | H131 | 49.8° | 94.9° |
| C10 | C09 | C08 | N13 | 62.7° | 58.7° |
| C09 | C10 | H101 | H103 | 120.0° | 120.0° |
| C09 | C10 | H101 | H102 | 120.0° | 120.1° |
| C09 | C10 | H103 | H102 | 120.0° | 120.0° |
| C10 | C09 | C11 | H111 | 60.2° | 175.5° |
| C10 | C09 | C11 | H113 | 179.8° | 64.5° |
| C10 | C09 | C11 | H112 | 59.8° | 55.5° |
| C10 | C09 | C12 | H123 | 58.2° | 60.0° |
| C10 | C09 | C12 | H122 | 61.8° | 60.0° |
| C10 | C09 | C12 | H121 | 178.2° | 180.0° |
| C10 | C09 | C08 | H081 | 60.5° | 61.4° |
| C08 | N13 | C14 | H131 | 180.0° | 179.9° |
| C08 | N13 | C14 | C15 | 178.9° | 180.0° |
| C08 | N13 | C14 | O19 | 1.1° | 0.0° |
| N13 | C14 | C15 | F16 | 64.4° | 60.0° |
| N13 | C14 | C15 | F18 | 54.4° | 60.0° |
| N13 | C14 | C15 | O19 | 180.0° | 180.0° |
| N13 | C14 | C15 | F17 | 175.5° | 180.0° |
| C14 | N13 | C08 | H081 | 7.8° | 35.0° |
| N06 | C05 | C04 | H051 | 119.7° | 120.1° |
| N06 | C05 | C04 | H052 | 119.7° | 120.0° |
| N06 | C05 | C04 | C46 | 44.7° | 11.2° |
| N06 | C05 | C04 | C03 | 133.9° | 169.3° |
| C05 | N06 | C21 | H211 | 139.4° | 55.3° |
| N06 | C05 | H051 | H052 | 121.0° | 119.8° |
| C45 | C46 | C04 | C05 | 1.5° | 1.1° |
| C45 | C46 | C04 | C47 | 179.5° | 179.8° |
| C45 | C46 | C04 | C03 | 179.9° | 179.4° |
| C45 | C46 | C47 | C48 | 179.6° | 179.5° |
| C46 | C45 | C21 | H211 | 92.9° | 72.0° |
| C46 | C45 | H451 | H452 | 119.5° | 119.4° |
| C45 | C46 | C47 | H471 | 0.4° | 0.5° |
| F16 | C15 | F18 | C14 | 116.9° | 120.0° |
| F16 | C15 | F18 | F17 | 122.3° | 120.0° |
| F16 | C15 | C14 | F17 | 120.1° | 120.0° |
| F16 | C15 | C14 | O19 | 115.7° | 120.0° |
| C40 | C39 | C38 | H391 | 180.0° | 179.9° |
| C40 | C39 | C38 | H381 | 179.4° | 180.0° |
| F18 | C15 | C14 | F17 | 121.2° | 120.0° |
| F18 | C15 | C14 | O19 | 125.6° | 120.0° |
| C39 | C38 | C37 | H371 | 179.3° | 180.0° |
| C38 | C39 | C40 | H401 | 179.2° | 180.0° |
| C15 | C14 | N13 | H131 | 1.1° | 0.0° |
| F17 | C15 | C14 | O19 | 4.4° | 0.0° |
| O19 | C14 | N13 | H131 | 178.9° | 180.0° |
| C05 | C04 | C46 | C03 | 178.6° | 179.5° |
| C05 | C04 | C46 | C47 | 179.0° | 179.1° |
| C05 | C04 | C03 | C02 | 179.2° | 179.4° |
| C05 | C04 | C03 | H031 | 0.8° | 0.7° |
| C04 | C05 | H051 | H052 | 120.9° | 119.9° |
| C04 | C46 | C47 | C48 | 0.1° | 0.4° |
| C46 | C04 | C03 | C02 | 0.6° | 0.2° |
| C46 | C04 | C03 | H031 | 179.4° | 179.7° |
| C46 | C04 | C05 | H051 | 164.4° | 131.3° |
| C46 | C04 | C05 | H052 | 75.0° | 108.8° |
| C04 | C46 | C45 | H451 | 80.3° | 100.3° |
| C04 | C46 | C45 | H452 | 160.0° | 140.3° |
| C04 | C46 | C47 | H471 | 179.9° | 179.7° |
| C47 | C46 | C04 | C03 | 0.4° | 0.4° |
| C46 | C47 | C48 | H471 | 180.0° | 180.0° |
| C46 | C47 | C48 | C02 | 0.1° | 0.0° |
| C47 | C46 | C45 | H451 | 99.2° | 79.5° |
| C47 | C46 | C45 | H452 | 20.5° | 39.8° |
| C46 | C47 | C48 | H481 | 179.9° | 180.0° |
| C04 | C03 | C02 | H031 | 180.0° | 179.9° |
| C04 | C03 | C02 | C48 | 0.6° | 0.2° |
| C04 | C03 | C02 | F01 | 178.9° | 179.9° |
| C03 | C04 | C05 | H051 | 14.2° | 49.2° |
| C03 | C04 | C05 | H052 | 106.4° | 70.7° |
| C47 | C48 | C02 | C03 | 0.4° | 0.3° |
| C47 | C48 | C02 | H481 | 180.0° | 180.0° |
| C47 | C48 | C02 | F01 | 179.1° | 179.8° |
| C03 | C02 | C48 | F01 | 179.5° | 179.9° |
| C03 | C02 | C48 | H481 | 179.6° | 179.7° |
| C48 | C02 | C03 | H031 | 179.4° | 179.9° |
| C02 | C48 | C47 | H471 | 179.9° | 180.0° |
| F01 | C02 | C03 | H031 | 1.1° | 0.0° |
| F01 | C02 | C48 | H481 | 0.9° | 0.3° |
| H101 | C10 | H103 | H102 | 120.0° | 119.9° |
| H111 | C11 | H113 | H112 | 120.0° | 120.0° |
| H123 | C12 | H122 | H121 | 120.0° | 119.9° |
| H211 | C21 | C45 | H451 | 147.0° | 167.6° |
| H211 | C21 | C45 | H452 | 27.3° | 48.3° |
| H231 | N23 | C24 | H241 | 179.0° | 145.7° |
| H241 | C24 | C33 | H1 | 178.6° | 61.6° |
| H241 | C24 | C25 | H252 | 72.7° | 93.4° |
| H241 | C24 | C25 | H251 | 167.6° | 146.6° |
| H302 | C30 | C31 | H311 | 178.0° | 53.0° |
| H302 | C30 | C31 | H312 | 63.8° | 67.5° |
| H302 | C30 | C29 | H292 | 51.5° | 50.2° |
| H302 | C30 | C29 | H291 | 170.5° | 69.3° |
| H301 | C30 | C31 | H311 | 62.7° | 67.3° |
| H301 | C30 | C31 | H312 | 55.5° | 172.2° |
| H301 | C30 | C29 | H292 | 67.8° | 170.6° |
| H301 | C30 | C29 | H291 | 51.1° | 51.1° |
| H311 | C31 | C26 | H261 | 162.6° | 48.6° |
| H312 | C31 | C26 | H261 | 44.4° | 169.0° |
| H1 | C33 | O43 | H431 | 57.6° | 180.0° |
| H081 | C08 | N13 | H131 | 172.2° | 145.0° |
| H252 | C25 | C26 | H261 | 174.4° | 170.5° |
| H251 | C25 | C26 | H261 | 54.7° | 69.5° |
| H292 | C29 | N28 | H281 | 38.2° | 78.7° |
| H291 | C29 | N28 | H281 | 80.8° | 40.7° |
| H371 | C37 | C38 | H381 | 0.8° | 0.1° |
| H381 | C38 | C39 | H391 | 0.6° | 0.1° |
| H391 | C39 | C40 | H401 | 0.9° | 0.1° |
| H471 | C47 | C48 | H481 | 0.1° | 0.1° |
