A1BRC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | O01 | doub | 1.21Å | 1.21Å | |
| C04 | C03 | sing | 1.53Å | 1.38Å | |
| C05 | C04 | sing | 1.53Å | 1.62Å | |
| N06 | C05 | sing | 1.47Å | 1.27Å | |
| C07 | N06 | sing | 1.47Å | 1.41Å | |
| C08 | C07 | sing | 1.53Å | 1.54Å | |
| O09 | C08 | sing | 1.43Å | 1.39Å | |
| C10 | O09 | sing | 1.43Å | 1.39Å | |
| C11 | C10 | sing | 1.53Å | 1.54Å | |
| C03 | C02 | sing | 1.51Å | 1.54Å | |
| N12 | C02 | sing | 1.35Å | 1.48Å | |
| C13 | N12 | sing | 1.40Å | 1.45Å | |
| C14 | C13 | doub | 1.37Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.40Å | 1.43Å | Aromatic |
| C16 | C15 | doub | 1.42Å | 1.44Å | Aromatic |
| C18 | N17 | doub | 1.32Å | 1.35Å | Aromatic |
| N19 | C18 | sing | 1.31Å | 1.34Å | Aromatic |
| C20 | N19 | doub | 1.34Å | 1.36Å | Aromatic |
| C21 | C20 | sing | 1.40Å | 1.45Å | Aromatic |
| C22 | C21 | doub | 1.38Å | 1.42Å | Aromatic |
| C23 | C22 | sing | 1.43Å | 1.57Å | |
| C24 | C23 | trip | 1.17Å | 1.23Å | |
| C25 | C24 | sing | 1.47Å | 1.58Å | |
| C26 | C25 | sing | 1.54Å | 1.54Å | |
| N27 | C26 | sing | 1.49Å | 1.44Å | |
| C29 | C28 | sing | 1.54Å | 1.54Å | |
| C30 | C29 | sing | 1.53Å | 1.54Å | |
| C28 | N27 | sing | 1.48Å | 1.43Å | |
| C31 | N27 | sing | 1.47Å | 1.48Å | |
| N17 | C16 | sing | 1.33Å | 1.33Å | Aromatic |
| N32 | C16 | sing | 1.38Å | 1.46Å | |
| C33 | N32 | sing | 1.40Å | 1.46Å | |
| C34 | C33 | doub | 1.39Å | 1.39Å | Aromatic |
| C35 | C34 | sing | 1.38Å | 1.40Å | Aromatic |
| C36 | C35 | doub | 1.38Å | 1.39Å | Aromatic |
| C37 | C36 | sing | 1.38Å | 1.39Å | Aromatic |
| CL3 | C37 | sing | 1.74Å | 1.80Å | |
| C39 | C37 | doub | 1.38Å | 1.39Å | Aromatic |
| F40 | C39 | sing | 1.35Å | 1.38Å | |
| N06 | C11 | sing | 1.47Å | 1.39Å | |
| C13 | C22 | sing | 1.41Å | 1.41Å | Aromatic |
| C15 | C20 | sing | 1.42Å | 1.38Å | Aromatic |
| C25 | C29 | sing | 1.54Å | 1.54Å | |
| C25 | C30 | sing | 1.53Å | 1.53Å | |
| C33 | C39 | sing | 1.39Å | 1.42Å | Aromatic |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C31 | H313 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.08Å | 1.08Å | |
| C35 | H351 | sing | 1.08Å | 1.08Å | |
| C36 | H361 | sing | 1.08Å | 1.08Å | |
| N12 | H121 | sing | 0.97Å | 1.00Å | |
| N32 | H321 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | C03 | 106.1° | 120.0° |
| O01 | C02 | N12 | 125.5° | 120.0° |
| C03 | C04 | C05 | 112.5° | 109.4° |
| C04 | C03 | C02 | 123.8° | 109.4° |
| C04 | C03 | H031 | 105.8° | 109.5° |
| C04 | C03 | H032 | 105.8° | 109.5° |
| C03 | C04 | H042 | 108.7° | 109.5° |
| C03 | C04 | H041 | 108.7° | 109.5° |
| C04 | C05 | N06 | 131.5° | 109.5° |
| C05 | C04 | H042 | 108.7° | 109.5° |
| C05 | C04 | H041 | 108.7° | 109.5° |
| C04 | C05 | H052 | 103.7° | 109.5° |
| C04 | C05 | H051 | 103.7° | 109.5° |
| C05 | N06 | C07 | 110.5° | 111.1° |
| C05 | N06 | C11 | 110.4° | 110.9° |
| N06 | C05 | H052 | 103.7° | 109.4° |
| N06 | C05 | H051 | 103.7° | 109.4° |
| N06 | C07 | C08 | 112.7° | 109.2° |
| C07 | N06 | C11 | 114.7° | 110.8° |
| N06 | C07 | H071 | 108.6° | 109.5° |
| N06 | C07 | H072 | 108.7° | 109.5° |
| C07 | C08 | O09 | 111.1° | 109.3° |
| C08 | C07 | H071 | 108.7° | 109.6° |
| C08 | C07 | H072 | 108.7° | 109.5° |
| C07 | C08 | H081 | 109.0° | 109.5° |
| C07 | C08 | H082 | 109.1° | 109.5° |
| C08 | O09 | C10 | 112.6° | 113.7° |
| O09 | C08 | H081 | 109.1° | 109.4° |
| O09 | C08 | H082 | 109.1° | 109.6° |
| O09 | C10 | C11 | 111.8° | 109.3° |
| O09 | C10 | H101 | 108.9° | 109.5° |
| O09 | C10 | H102 | 108.9° | 109.5° |
| C10 | C11 | N06 | 110.7° | 109.2° |
| C11 | C10 | H101 | 108.9° | 109.5° |
| C11 | C10 | H102 | 108.9° | 109.5° |
| C10 | C11 | H111 | 109.2° | 109.5° |
| C10 | C11 | H112 | 109.2° | 109.5° |
| C03 | C02 | N12 | 128.4° | 120.0° |
| C02 | C03 | H031 | 105.8° | 109.5° |
| C02 | C03 | H032 | 105.8° | 109.5° |
| C02 | N12 | C13 | 119.0° | 120.0° |
| C02 | N12 | H121 | 120.5° | 120.0° |
| N12 | C13 | C14 | 120.5° | 119.7° |
| N12 | C13 | C22 | 116.6° | 119.7° |
| C13 | N12 | H121 | 120.5° | 120.0° |
| C13 | C14 | C15 | 119.0° | 119.9° |
| C14 | C13 | C22 | 122.7° | 120.6° |
| C13 | C14 | H141 | 120.5° | 120.1° |
| C14 | C15 | C16 | 120.6° | 121.8° |
| C14 | C15 | C20 | 119.5° | 120.1° |
| C15 | C14 | H141 | 120.5° | 120.1° |
| C15 | C16 | N17 | 118.0° | 118.2° |
| C15 | C16 | N32 | 121.3° | 120.9° |
| C16 | C15 | C20 | 119.9° | 118.1° |
| N17 | C18 | N19 | 122.7° | 122.9° |
| C18 | N17 | C16 | 120.5° | 121.5° |
| N17 | C18 | H181 | 118.6° | 118.5° |
| C18 | N19 | C20 | 120.2° | 120.5° |
| N19 | C18 | H181 | 118.7° | 118.6° |
| N19 | C20 | C21 | 120.0° | 121.7° |
| N19 | C20 | C15 | 118.6° | 118.7° |
| C20 | C21 | C22 | 119.3° | 119.5° |
| C21 | C20 | C15 | 121.4° | 119.5° |
| C20 | C21 | H211 | 120.3° | 120.2° |
| C21 | C22 | C23 | 120.3° | 119.8° |
| C21 | C22 | C13 | 118.0° | 120.5° |
| C22 | C21 | H211 | 120.4° | 120.3° |
| C22 | C23 | C24 | 171.1° | 180.0° |
| C23 | C22 | C13 | 121.7° | 119.7° |
| C23 | C24 | C25 | 177.6° | 180.0° |
| C24 | C25 | C26 | 116.4° | 117.6° |
| C24 | C25 | C29 | 106.5° | 121.8° |
| C24 | C25 | C30 | 106.2° | 119.5° |
| C25 | C26 | N27 | 109.6° | 104.6° |
| C26 | C25 | C29 | 104.9° | 105.1° |
| C26 | C25 | C30 | 137.5° | 118.9° |
| C25 | C26 | H261 | 109.4° | 110.4° |
| C25 | C26 | H262 | 109.4° | 110.4° |
| C26 | N27 | C28 | 108.1° | 104.6° |
| C26 | N27 | C31 | 110.8° | 111.8° |
| N27 | C26 | H261 | 109.4° | 110.4° |
| N27 | C26 | H262 | 109.4° | 110.5° |
| C28 | C29 | C30 | 140.8° | 118.1° |
| C29 | C28 | N27 | 109.3° | 105.0° |
| C28 | C29 | C25 | 104.8° | 105.1° |
| C29 | C28 | H281 | 109.5° | 110.2° |
| C29 | C28 | H282 | 109.6° | 110.3° |
| C28 | C29 | H291 | 109.5° | 117.6° |
| C30 | C29 | C25 | 59.6° | 59.7° |
| C29 | C30 | C25 | 60.1° | 60.5° |
| C30 | C29 | H291 | 109.7° | 120.2° |
| C29 | C30 | H302 | 120.0° | 117.4° |
| C29 | C30 | H301 | 120.0° | 117.5° |
| C28 | N27 | C31 | 109.5° | 111.0° |
| N27 | C28 | H281 | 109.5° | 110.4° |
| N27 | C28 | H282 | 109.5° | 110.4° |
| N27 | C31 | H313 | 109.5° | 109.5° |
| N27 | C31 | H311 | 109.5° | 109.4° |
| N27 | C31 | H312 | 109.5° | 109.5° |
| N17 | C16 | N32 | 120.7° | 120.9° |
| C16 | N32 | C33 | 119.7° | 120.0° |
| C16 | N32 | H321 | 120.1° | 120.0° |
| N32 | C33 | C34 | 117.4° | 120.0° |
| N32 | C33 | C39 | 122.3° | 120.1° |
| C33 | N32 | H321 | 120.2° | 120.0° |
| C33 | C34 | C35 | 119.1° | 120.0° |
| C34 | C33 | C39 | 120.2° | 119.8° |
| C33 | C34 | H341 | 120.5° | 120.1° |
| C34 | C35 | C36 | 120.9° | 120.1° |
| C35 | C34 | H341 | 120.4° | 120.0° |
| C34 | C35 | H351 | 119.5° | 119.9° |
| C35 | C36 | C37 | 119.8° | 120.1° |
| C36 | C35 | H351 | 119.5° | 120.0° |
| C35 | C36 | H361 | 120.1° | 119.9° |
| C36 | C37 | CL3 | 121.5° | 120.0° |
| C36 | C37 | C39 | 120.3° | 120.0° |
| C37 | C36 | H361 | 120.1° | 119.9° |
| CL3 | C37 | C39 | 118.1° | 120.0° |
| C37 | C39 | F40 | 118.4° | 120.0° |
| C37 | C39 | C33 | 119.6° | 119.9° |
| F40 | C39 | C33 | 122.0° | 120.1° |
| N06 | C11 | H111 | 109.2° | 109.5° |
| N06 | C11 | H112 | 109.2° | 109.6° |
| C29 | C25 | C30 | 60.3° | 59.7° |
| C25 | C29 | H291 | 109.7° | 121.8° |
| C25 | C30 | H302 | 120.0° | 117.5° |
| C25 | C30 | H301 | 120.0° | 117.5° |
| H031 | C03 | H032 | 109.4° | 109.5° |
| H042 | C04 | H041 | 109.4° | 109.5° |
| H052 | C05 | H051 | 109.5° | 109.5° |
| H071 | C07 | H072 | 109.5° | 109.5° |
| H081 | C08 | H082 | 109.5° | 109.5° |
| H101 | C10 | H102 | 109.5° | 109.5° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H261 | C26 | H262 | 109.5° | 110.3° |
| H281 | C28 | H282 | 109.4° | 110.4° |
| H302 | C30 | H301 | 109.4° | 115.5° |
| H313 | C31 | H311 | 109.4° | 109.4° |
| H313 | C31 | H312 | 109.5° | 109.5° |
| H311 | C31 | H312 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | C03 | C04 | 2.8° | 0.0° |
| O01 | C02 | C03 | N12 | 178.8° | 179.8° |
| O01 | C02 | N12 | C13 | 6.6° | 5.8° |
| O01 | C02 | C03 | H031 | 119.2° | 120.0° |
| O01 | C02 | C03 | H032 | 124.8° | 120.0° |
| O01 | C02 | N12 | H121 | 173.4° | 174.3° |
| C03 | C04 | C05 | H042 | 120.5° | 120.0° |
| C03 | C04 | C05 | H041 | 120.5° | 120.0° |
| C03 | C04 | C05 | N06 | 73.7° | 180.0° |
| C04 | C03 | C02 | H031 | 122.0° | 120.0° |
| C04 | C03 | C02 | H032 | 122.0° | 120.0° |
| C04 | C03 | C02 | N12 | 178.4° | 179.8° |
| C04 | C03 | H031 | H032 | 113.6° | 120.0° |
| C03 | C04 | H042 | H041 | 118.6° | 120.0° |
| C03 | C04 | C05 | H052 | 49.1° | 60.0° |
| C03 | C04 | C05 | H051 | 163.6° | 60.0° |
| C04 | C05 | N06 | H052 | 122.8° | 120.1° |
| C04 | C05 | N06 | H051 | 122.8° | 120.0° |
| C04 | C05 | N06 | C07 | 49.4° | 170.0° |
| C05 | C04 | C03 | C02 | 142.3° | 180.0° |
| C04 | C05 | N06 | C11 | 177.4° | 66.4° |
| C05 | C04 | C03 | H031 | 95.7° | 60.0° |
| C05 | C04 | C03 | H032 | 20.3° | 60.0° |
| C05 | C04 | H042 | H041 | 118.6° | 120.0° |
| C04 | C05 | H052 | H051 | 110.2° | 120.0° |
| C05 | N06 | C07 | C11 | 125.6° | 123.7° |
| C05 | N06 | C07 | C08 | 175.1° | 177.7° |
| C05 | N06 | C11 | C10 | 176.4° | 177.6° |
| N06 | C05 | C04 | H042 | 165.9° | 60.0° |
| N06 | C05 | C04 | H041 | 46.8° | 60.1° |
| N06 | C05 | H052 | H051 | 110.2° | 119.9° |
| C05 | N06 | C07 | H071 | 54.6° | 57.6° |
| C05 | N06 | C07 | H072 | 64.4° | 62.4° |
| C05 | N06 | C11 | H111 | 56.2° | 62.5° |
| C05 | N06 | C11 | H112 | 63.4° | 57.6° |
| N06 | C07 | C08 | H071 | 120.5° | 120.0° |
| N06 | C07 | C08 | H072 | 120.5° | 119.9° |
| N06 | C07 | C08 | O09 | 49.4° | 56.8° |
| C07 | N06 | C11 | C10 | 50.7° | 58.6° |
| C07 | N06 | C05 | H052 | 172.1° | 70.0° |
| C07 | N06 | C05 | H051 | 73.4° | 50.0° |
| N06 | C07 | H071 | H072 | 118.5° | 120.0° |
| N06 | C07 | C08 | H081 | 169.7° | 176.8° |
| N06 | C07 | C08 | H082 | 70.9° | 63.2° |
| C07 | N06 | C11 | H111 | 69.5° | 61.3° |
| C07 | N06 | C11 | H112 | 170.9° | 178.5° |
| C07 | C08 | O09 | H081 | 120.2° | 120.0° |
| C07 | C08 | O09 | H082 | 120.3° | 120.0° |
| C07 | C08 | O09 | C10 | 53.9° | 58.7° |
| C08 | C07 | N06 | C11 | 49.5° | 58.6° |
| C08 | C07 | H071 | H072 | 118.5° | 120.2° |
| C07 | C08 | H081 | H082 | 119.3° | 120.1° |
| C08 | O09 | C10 | C11 | 56.6° | 58.7° |
| O09 | C08 | C07 | H071 | 71.1° | 176.8° |
| O09 | C08 | C07 | H072 | 169.9° | 63.1° |
| O09 | C08 | H081 | H082 | 119.3° | 120.1° |
| C08 | O09 | C10 | H101 | 177.0° | 61.3° |
| C08 | O09 | C10 | H102 | 63.7° | 178.6° |
| O09 | C10 | C11 | H101 | 120.4° | 120.0° |
| O09 | C10 | C11 | H102 | 120.3° | 119.9° |
| O09 | C10 | C11 | N06 | 53.7° | 56.9° |
| C10 | O09 | C08 | H081 | 174.1° | 178.6° |
| C10 | O09 | C08 | H082 | 66.4° | 61.3° |
| O09 | C10 | H101 | H102 | 119.0° | 120.1° |
| O09 | C10 | C11 | H111 | 66.5° | 63.1° |
| O09 | C10 | C11 | H112 | 173.9° | 176.8° |
| C10 | C11 | N06 | H111 | 120.2° | 119.9° |
| C10 | C11 | N06 | H112 | 120.2° | 119.9° |
| C11 | C10 | H101 | H102 | 118.9° | 120.1° |
| C10 | C11 | H111 | H112 | 119.5° | 120.0° |
| C03 | C02 | N12 | C13 | 171.9° | 174.0° |
| C02 | C03 | H031 | H032 | 113.6° | 120.0° |
| C02 | C03 | C04 | H042 | 97.2° | 60.0° |
| C02 | C03 | C04 | H041 | 21.8° | 60.0° |
| C03 | C02 | N12 | H121 | 8.1° | 5.9° |
| C02 | N12 | C13 | H121 | 180.0° | 179.9° |
| C02 | N12 | C13 | C14 | 50.3° | 24.9° |
| C02 | N12 | C13 | C22 | 125.6° | 154.8° |
| N12 | C02 | C03 | H031 | 59.6° | 59.8° |
| N12 | C02 | C03 | H032 | 56.5° | 60.2° |
| N12 | C13 | C14 | C22 | 175.7° | 179.7° |
| N12 | C13 | C14 | C15 | 178.2° | 179.9° |
| N12 | C13 | C22 | C21 | 176.4° | 179.7° |
| N12 | C13 | C22 | C23 | 1.8° | 0.1° |
| N12 | C13 | C14 | H141 | 1.8° | 0.0° |
| C13 | C14 | C15 | H141 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 177.6° | 179.9° |
| C14 | C13 | C22 | C21 | 0.6° | 0.6° |
| C14 | C13 | C22 | C23 | 177.6° | 179.7° |
| C13 | C14 | C15 | C20 | 3.6° | 0.0° |
| C14 | C13 | N12 | H121 | 129.7° | 155.0° |
| C14 | C15 | C16 | C20 | 178.8° | 179.9° |
| C14 | C15 | C20 | N19 | 177.4° | 179.9° |
| C14 | C15 | C20 | C21 | 2.7° | 0.0° |
| C14 | C15 | C16 | N17 | 175.8° | 180.0° |
| C14 | C15 | C16 | N32 | 2.1° | 0.1° |
| C15 | C14 | C13 | C22 | 2.6° | 0.3° |
| C15 | C16 | N17 | C18 | 2.1° | 0.0° |
| C16 | C15 | C20 | N19 | 1.4° | 0.0° |
| C16 | C15 | C20 | C21 | 178.4° | 179.9° |
| C15 | C16 | N17 | N32 | 177.9° | 180.0° |
| C15 | C16 | N32 | C33 | 166.7° | 174.4° |
| C16 | C15 | C14 | H141 | 2.4° | 0.1° |
| C15 | C16 | N32 | H321 | 13.2° | 5.6° |
| N17 | C18 | N19 | H181 | 180.0° | 179.9° |
| N17 | C18 | N19 | C20 | 2.1° | 0.1° |
| C18 | N17 | C16 | N32 | 180.0° | 180.0° |
| C18 | N19 | C20 | C21 | 179.1° | 180.0° |
| N19 | C18 | N17 | C16 | 0.4° | 0.1° |
| C18 | N19 | C20 | C15 | 1.1° | 0.0° |
| N19 | C20 | C21 | C15 | 179.8° | 180.0° |
| N19 | C20 | C21 | C22 | 179.4° | 179.7° |
| C20 | N19 | C18 | H181 | 177.9° | 180.0° |
| N19 | C20 | C21 | H211 | 0.6° | 0.0° |
| C20 | C21 | C22 | H211 | 180.0° | 179.7° |
| C20 | C21 | C22 | C23 | 178.6° | 179.7° |
| C20 | C21 | C22 | C13 | 0.4° | 0.6° |
| C21 | C22 | C23 | C13 | 178.2° | 179.7° |
| C21 | C22 | C23 | C24 | 15.1° | 9.6° |
| C22 | C21 | C20 | C15 | 0.7° | 0.3° |
| C22 | C23 | C24 | C25 | 135.3° | 159.6° |
| C23 | C22 | C21 | H211 | 1.4° | 0.0° |
| C23 | C24 | C25 | C26 | 13.0° | 78.3° |
| C24 | C23 | C22 | C13 | 166.8° | 170.1° |
| C23 | C24 | C25 | C29 | 129.6° | 149.7° |
| C23 | C24 | C25 | C30 | 167.4° | 79.0° |
| C24 | C25 | C26 | C29 | 117.4° | 139.1° |
| C24 | C25 | C26 | C30 | 179.5° | 157.4° |
| C24 | C25 | C26 | N27 | 124.3° | 163.0° |
| C24 | C25 | C29 | C28 | 119.8° | 137.9° |
| C24 | C25 | C30 | C29 | 100.1° | 111.7° |
| C24 | C25 | C26 | H261 | 115.6° | 78.2° |
| C24 | C25 | C26 | H262 | 4.3° | 44.1° |
| C24 | C25 | C29 | H291 | 2.3° | 0.9° |
| C24 | C25 | C30 | H302 | 150.4° | 4.2° |
| C24 | C25 | C30 | H301 | 9.4° | 140.6° |
| C25 | C26 | N27 | H261 | 120.0° | 118.8° |
| C25 | C26 | N27 | H262 | 120.0° | 118.8° |
| C26 | C25 | C29 | C28 | 4.1° | 0.9° |
| C26 | C25 | C29 | C30 | 136.6° | 114.9° |
| C25 | C26 | N27 | C28 | 16.1° | 38.7° |
| C25 | C26 | N27 | C31 | 136.1° | 159.0° |
| C25 | C26 | H261 | H262 | 119.9° | 122.3° |
| C26 | C25 | C29 | H291 | 121.7° | 136.2° |
| C26 | C25 | C30 | H302 | 30.1° | 161.1° |
| C26 | C25 | C30 | H301 | 171.0° | 16.3° |
| C26 | N27 | C28 | C29 | 18.8° | 38.2° |
| C26 | N27 | C28 | C31 | 120.8° | 120.8° |
| N27 | C26 | C25 | C29 | 6.9° | 23.8° |
| N27 | C26 | C25 | C30 | 55.1° | 39.6° |
| N27 | C26 | H261 | H262 | 120.0° | 122.4° |
| C26 | N27 | C28 | H281 | 101.2° | 80.5° |
| C26 | N27 | C28 | H282 | 138.8° | 157.1° |
| C26 | N27 | C31 | H313 | 180.0° | 176.3° |
| C26 | N27 | C31 | H311 | 60.0° | 63.7° |
| C26 | N27 | C31 | H312 | 60.0° | 56.3° |
| C28 | C29 | C30 | C25 | 75.6° | 91.7° |
| C28 | C29 | C30 | H291 | 177.4° | 156.8° |
| C29 | C28 | N27 | H281 | 120.0° | 118.7° |
| C29 | C28 | N27 | H282 | 120.0° | 118.9° |
| C29 | C28 | N27 | C31 | 139.6° | 159.0° |
| C28 | C29 | C25 | H291 | 117.5° | 137.0° |
| C29 | C28 | H281 | H282 | 120.1° | 122.1° |
| C28 | C29 | C30 | H302 | 33.9° | 160.6° |
| C28 | C29 | C30 | H301 | 174.9° | 16.0° |
| C30 | C29 | C28 | N27 | 45.7° | 40.8° |
| C30 | C29 | C25 | H291 | 101.8° | 108.9° |
| C29 | C30 | C25 | H302 | 109.5° | 107.6° |
| C29 | C30 | C25 | H301 | 109.5° | 107.6° |
| C30 | C29 | C28 | H281 | 165.7° | 159.7° |
| C30 | C29 | C28 | H282 | 74.3° | 78.2° |
| C29 | C30 | H302 | H301 | 144.7° | 145.3° |
| N27 | C28 | C29 | C25 | 14.1° | 22.6° |
| C28 | N27 | C26 | H261 | 136.1° | 157.6° |
| C28 | N27 | C26 | H262 | 103.9° | 80.1° |
| N27 | C28 | H281 | H282 | 120.1° | 122.4° |
| N27 | C28 | C29 | H291 | 131.7° | 161.7° |
| C28 | N27 | C31 | H313 | 60.8° | 59.9° |
| C28 | N27 | C31 | H311 | 179.2° | 179.8° |
| C28 | N27 | C31 | H312 | 59.2° | 60.2° |
| C31 | N27 | C26 | H261 | 103.9° | 82.2° |
| C31 | N27 | C26 | H262 | 16.0° | 40.1° |
| C31 | N27 | C28 | H281 | 19.6° | 40.3° |
| C31 | N27 | C28 | H282 | 100.4° | 82.1° |
| N27 | C31 | H313 | H311 | 120.0° | 119.9° |
| N27 | C31 | H313 | H312 | 120.0° | 120.1° |
| N27 | C31 | H311 | H312 | 120.0° | 120.0° |
| N17 | C16 | N32 | C33 | 15.4° | 5.6° |
| N17 | C16 | C15 | C20 | 3.0° | 0.1° |
| C16 | N17 | C18 | H181 | 179.6° | 179.9° |
| N17 | C16 | N32 | H321 | 164.6° | 174.4° |
| C16 | N32 | C33 | H321 | 180.0° | 180.0° |
| C16 | N32 | C33 | C34 | 137.5° | 24.7° |
| N32 | C16 | C15 | C20 | 179.1° | 180.0° |
| C16 | N32 | C33 | C39 | 42.0° | 155.5° |
| N32 | C33 | C34 | C39 | 179.5° | 179.7° |
| N32 | C33 | C34 | C35 | 178.3° | 180.0° |
| N32 | C33 | C39 | C37 | 179.2° | 179.7° |
| N32 | C33 | C39 | F40 | 1.0° | 0.0° |
| N32 | C33 | C34 | H341 | 1.7° | 0.0° |
| C33 | C34 | C35 | H341 | 180.0° | 180.0° |
| C33 | C34 | C35 | C36 | 0.5° | 0.1° |
| C34 | C33 | C39 | C37 | 0.3° | 0.6° |
| C34 | C33 | C39 | F40 | 179.6° | 179.8° |
| C33 | C34 | C35 | H351 | 179.5° | 179.9° |
| C34 | C33 | N32 | H321 | 42.5° | 155.3° |
| C34 | C35 | C36 | H351 | 180.0° | 180.0° |
| C34 | C35 | C36 | C37 | 1.1° | 0.0° |
| C35 | C34 | C33 | C39 | 1.2° | 0.2° |
| C34 | C35 | C36 | H361 | 178.9° | 180.0° |
| C35 | C36 | C37 | H361 | 180.0° | 180.0° |
| C35 | C36 | C37 | CL3 | 180.0° | 180.0° |
| C35 | C36 | C37 | C39 | 2.0° | 0.3° |
| C36 | C35 | C34 | H341 | 179.5° | 180.0° |
| C36 | C37 | CL3 | C39 | 178.1° | 179.7° |
| C36 | C37 | C39 | F40 | 178.9° | 179.7° |
| C36 | C37 | C39 | C33 | 1.3° | 0.6° |
| C37 | C36 | C35 | H351 | 178.9° | 180.0° |
| CL3 | C37 | C39 | F40 | 0.7° | 0.0° |
| CL3 | C37 | C39 | C33 | 179.4° | 179.7° |
| CL3 | C37 | C36 | H361 | 0.0° | 0.0° |
| C37 | C39 | F40 | C33 | 179.9° | 179.6° |
| C39 | C37 | C36 | H361 | 178.1° | 179.7° |
| C11 | N06 | C05 | H052 | 59.9° | 53.7° |
| C11 | N06 | C05 | H051 | 54.6° | 173.6° |
| C11 | N06 | C07 | H071 | 71.0° | 178.6° |
| C11 | N06 | C07 | H072 | 170.0° | 61.4° |
| N06 | C11 | C10 | H101 | 174.1° | 63.1° |
| N06 | C11 | C10 | H102 | 66.6° | 176.8° |
| N06 | C11 | H111 | H112 | 119.4° | 120.2° |
| C22 | C13 | C14 | H141 | 177.5° | 179.7° |
| C13 | C22 | C21 | H211 | 179.6° | 179.7° |
| C22 | C13 | N12 | H121 | 54.4° | 25.3° |
| C20 | C15 | C14 | H141 | 176.4° | 180.0° |
| C15 | C20 | C21 | H211 | 179.2° | 180.0° |
| C29 | C25 | C26 | H261 | 126.9° | 142.7° |
| C29 | C25 | C26 | H262 | 113.1° | 95.1° |
| C25 | C29 | C28 | H281 | 105.9° | 96.3° |
| C25 | C29 | C28 | H282 | 134.0° | 141.6° |
| C30 | C25 | C26 | H261 | 64.9° | 79.2° |
| C30 | C25 | C26 | H262 | 175.2° | 158.5° |
| C25 | C30 | H302 | H301 | 144.6° | 145.5° |
| C39 | C33 | C34 | H341 | 178.8° | 179.7° |
| C39 | C33 | N32 | H321 | 138.0° | 24.4° |
| H031 | C03 | C04 | H042 | 24.7° | 180.0° |
| H031 | C03 | C04 | H041 | 143.8° | 60.0° |
| H032 | C03 | C04 | H042 | 140.8° | 60.0° |
| H032 | C03 | C04 | H041 | 100.1° | 180.0° |
| H042 | C04 | C05 | H052 | 71.3° | 180.0° |
| H042 | C04 | C05 | H051 | 43.1° | 60.0° |
| H041 | C04 | C05 | H052 | 169.6° | 60.0° |
| H041 | C04 | C05 | H051 | 76.0° | 180.0° |
| H071 | C07 | C08 | H081 | 49.2° | 63.3° |
| H071 | C07 | C08 | H082 | 168.7° | 56.8° |
| H072 | C07 | C08 | H081 | 69.8° | 56.8° |
| H072 | C07 | C08 | H082 | 49.6° | 176.9° |
| H101 | C10 | C11 | H111 | 53.9° | 177.0° |
| H101 | C10 | C11 | H112 | 65.7° | 56.9° |
| H102 | C10 | C11 | H111 | 173.2° | 56.9° |
| H102 | C10 | C11 | H112 | 53.5° | 63.2° |
| H281 | C28 | C29 | H291 | 11.7° | 42.9° |
| H282 | C28 | C29 | H291 | 108.3° | 79.3° |
| H291 | C29 | C30 | H302 | 148.7° | 3.8° |
| H291 | C29 | C30 | H301 | 7.7° | 140.8° |
| H313 | C31 | H311 | H312 | 120.0° | 120.0° |
| H341 | C34 | C35 | H351 | 0.5° | 0.0° |
| H351 | C35 | C36 | H361 | 1.1° | 0.0° |
