A1JVV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O02 | C01 | sing | 1.43Å | 1.42Å | |
| C03 | O02 | sing | 1.43Å | 1.41Å | |
| C04 | C03 | sing | 1.53Å | 1.54Å | |
| O05 | C04 | sing | 1.43Å | 1.38Å | |
| C06 | O05 | sing | 1.36Å | 1.38Å | |
| C09 | O08 | sing | 1.43Å | 1.41Å | |
| C10 | C09 | sing | 1.53Å | 1.57Å | |
| O11 | C10 | sing | 1.43Å | 1.43Å | |
| C12 | O11 | sing | 1.43Å | 1.41Å | |
| O08 | C07 | sing | 1.36Å | 1.37Å | |
| C13 | C07 | doub | 1.37Å | 1.39Å | Aromatic |
| C07 | C06 | sing | 1.40Å | 1.40Å | Aromatic |
| C14 | C06 | doub | 1.38Å | 1.37Å | Aromatic |
| C15 | C14 | sing | 1.40Å | 1.41Å | Aromatic |
| C16 | C15 | doub | 1.42Å | 1.42Å | Aromatic |
| C17 | C16 | sing | 1.42Å | 1.46Å | Aromatic |
| C19 | N18 | sing | 1.47Å | 1.48Å | |
| C20 | C19 | sing | 1.53Å | 1.56Å | |
| N21 | C20 | sing | 1.47Å | 1.50Å | |
| N23 | C22 | doub | 1.32Å | 1.36Å | Aromatic |
| C24 | N23 | sing | 1.32Å | 1.36Å | Aromatic |
| C25 | C24 | doub | 1.39Å | 1.40Å | Aromatic |
| C27 | C26 | sing | 1.51Å | 1.49Å | |
| C28 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | C29 | doub | 1.38Å | 1.38Å | Aromatic |
| C31 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C32 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.51Å | 1.52Å | |
| C33 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| N34 | C33 | doub | 1.32Å | 1.36Å | Aromatic |
| C22 | N21 | sing | 1.38Å | 1.41Å | |
| C35 | N21 | sing | 1.47Å | 1.47Å | |
| C36 | C35 | sing | 1.53Å | 1.53Å | |
| N18 | C17 | sing | 1.38Å | 1.45Å | |
| N37 | C17 | doub | 1.33Å | 1.34Å | Aromatic |
| C38 | N37 | sing | 1.32Å | 1.39Å | Aromatic |
| N39 | C38 | doub | 1.31Å | 1.32Å | Aromatic |
| C13 | C16 | sing | 1.40Å | 1.42Å | Aromatic |
| C15 | N39 | sing | 1.34Å | 1.38Å | Aromatic |
| N18 | C36 | sing | 1.47Å | 1.49Å | |
| C22 | N34 | sing | 1.33Å | 1.34Å | Aromatic |
| C27 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | 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 | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H123 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | O02 | C03 | 115.8° | 114.0° |
| O02 | C01 | H011 | 109.5° | 109.5° |
| O02 | C01 | H012 | 109.5° | 109.4° |
| O02 | C01 | H013 | 109.5° | 109.4° |
| O02 | C03 | C04 | 107.4° | 109.5° |
| O02 | C03 | H031 | 110.0° | 109.5° |
| O02 | C03 | H032 | 110.0° | 109.5° |
| C03 | C04 | O05 | 118.0° | 109.5° |
| C04 | C03 | H031 | 110.0° | 109.5° |
| C04 | C03 | H032 | 110.0° | 109.4° |
| C03 | C04 | H041 | 107.3° | 109.5° |
| C03 | C04 | H042 | 107.3° | 109.5° |
| C04 | O05 | C06 | 127.8° | 117.0° |
| O05 | C04 | H041 | 107.3° | 109.5° |
| O05 | C04 | H042 | 107.3° | 109.5° |
| O05 | C06 | C07 | 117.2° | 119.7° |
| O05 | C06 | C14 | 118.8° | 119.6° |
| O08 | C09 | C10 | 110.2° | 109.5° |
| C09 | O08 | C07 | 120.9° | 117.0° |
| O08 | C09 | H091 | 109.3° | 109.5° |
| O08 | C09 | H092 | 109.3° | 109.5° |
| C09 | C10 | O11 | 109.1° | 109.5° |
| C09 | C10 | H101 | 109.6° | 109.5° |
| C09 | C10 | H102 | 109.6° | 109.5° |
| C10 | C09 | H091 | 109.3° | 109.5° |
| C10 | C09 | H092 | 109.3° | 109.4° |
| C10 | O11 | C12 | 114.7° | 114.0° |
| O11 | C10 | H101 | 109.5° | 109.5° |
| O11 | C10 | H102 | 109.6° | 109.4° |
| O11 | C12 | H121 | 109.5° | 109.5° |
| O11 | C12 | H122 | 109.4° | 109.5° |
| O11 | C12 | H123 | 109.5° | 109.4° |
| O08 | C07 | C13 | 117.2° | 119.6° |
| O08 | C07 | C06 | 125.0° | 119.6° |
| C13 | C07 | C06 | 117.8° | 120.8° |
| C07 | C13 | C16 | 121.5° | 119.6° |
| C07 | C13 | H131 | 119.3° | 120.2° |
| C07 | C06 | C14 | 123.9° | 120.7° |
| C06 | C14 | C15 | 117.5° | 119.5° |
| C06 | C14 | H141 | 121.3° | 120.2° |
| C14 | C15 | C16 | 121.8° | 119.4° |
| C14 | C15 | N39 | 115.6° | 121.9° |
| C15 | C14 | H141 | 121.3° | 120.2° |
| C15 | C16 | C17 | 116.4° | 118.2° |
| C15 | C16 | C13 | 117.6° | 119.9° |
| C16 | C15 | N39 | 122.6° | 118.7° |
| C16 | C17 | N18 | 118.2° | 120.9° |
| C16 | C17 | N37 | 120.2° | 118.2° |
| C17 | C16 | C13 | 126.1° | 121.9° |
| N18 | C19 | C20 | 110.5° | 109.4° |
| C19 | N18 | C17 | 116.1° | 111.0° |
| C19 | N18 | C36 | 104.8° | 110.9° |
| N18 | C19 | H191 | 109.2° | 109.4° |
| N18 | C19 | H192 | 109.2° | 109.4° |
| C19 | C20 | N21 | 111.3° | 109.4° |
| C19 | C20 | H201 | 109.0° | 109.5° |
| C19 | C20 | H202 | 109.0° | 109.5° |
| C20 | C19 | H191 | 109.2° | 109.5° |
| C20 | C19 | H192 | 109.2° | 109.5° |
| C20 | N21 | C22 | 124.3° | 111.0° |
| C20 | N21 | C35 | 113.6° | 110.9° |
| N21 | C20 | H201 | 109.0° | 109.4° |
| N21 | C20 | H202 | 109.0° | 109.5° |
| C22 | N23 | C24 | 117.2° | 120.8° |
| N23 | C22 | N21 | 116.1° | 119.2° |
| N23 | C22 | N34 | 121.8° | 121.5° |
| N23 | C24 | C25 | 125.9° | 119.2° |
| N23 | C24 | H241 | 117.1° | 120.4° |
| C24 | C25 | C26 | 125.1° | 120.8° |
| C24 | C25 | C33 | 111.4° | 118.5° |
| C25 | C24 | H241 | 117.1° | 120.3° |
| C26 | C27 | C28 | 120.7° | 120.0° |
| C27 | C26 | C25 | 116.1° | 109.5° |
| C26 | C27 | C32 | 121.0° | 120.0° |
| C27 | C26 | H261 | 107.8° | 109.5° |
| C27 | C26 | H262 | 107.8° | 109.5° |
| C27 | C28 | C29 | 121.3° | 120.0° |
| C28 | C27 | C32 | 118.3° | 120.0° |
| C27 | C28 | H281 | 119.3° | 120.1° |
| C28 | C29 | C30 | 119.9° | 120.0° |
| C29 | C28 | H281 | 119.3° | 120.0° |
| C28 | C29 | H291 | 120.0° | 120.0° |
| C29 | C30 | C31 | 119.5° | 120.0° |
| C30 | C29 | H291 | 120.1° | 120.0° |
| C29 | C30 | H301 | 120.2° | 120.0° |
| C30 | C31 | C32 | 120.2° | 120.0° |
| C31 | C30 | H301 | 120.2° | 120.0° |
| C30 | C31 | H311 | 119.9° | 120.0° |
| C31 | C32 | C27 | 120.7° | 120.0° |
| C32 | C31 | H311 | 119.9° | 120.0° |
| C31 | C32 | H321 | 119.7° | 120.0° |
| C26 | C25 | C33 | 123.5° | 120.7° |
| C25 | C26 | H261 | 107.8° | 109.5° |
| C25 | C26 | H262 | 107.8° | 109.5° |
| C25 | C33 | N34 | 125.0° | 119.2° |
| C25 | C33 | H331 | 117.5° | 120.4° |
| C33 | N34 | C22 | 118.7° | 120.8° |
| N34 | C33 | H331 | 117.5° | 120.4° |
| C22 | N21 | C35 | 121.1° | 111.0° |
| N21 | C22 | N34 | 122.0° | 119.2° |
| N21 | C35 | C36 | 109.3° | 109.4° |
| N21 | C35 | H351 | 109.5° | 109.5° |
| N21 | C35 | H352 | 109.5° | 109.4° |
| C35 | C36 | N18 | 107.0° | 109.4° |
| C36 | C35 | H351 | 109.5° | 109.5° |
| C36 | C35 | H352 | 109.5° | 109.5° |
| C35 | C36 | H361 | 110.1° | 109.5° |
| C35 | C36 | H362 | 110.1° | 109.5° |
| N18 | C17 | N37 | 121.6° | 120.9° |
| C17 | N18 | C36 | 116.4° | 111.1° |
| C17 | N37 | C38 | 117.5° | 121.5° |
| N37 | C38 | N39 | 127.7° | 123.0° |
| N37 | C38 | H381 | 116.2° | 118.5° |
| C38 | N39 | C15 | 115.7° | 120.5° |
| N39 | C38 | H381 | 116.1° | 118.5° |
| C16 | C13 | H131 | 119.3° | 120.2° |
| N18 | C36 | H361 | 110.1° | 109.4° |
| N18 | C36 | H362 | 110.1° | 109.5° |
| C27 | C32 | H321 | 119.6° | 120.0° |
| H101 | C10 | H102 | 109.5° | 109.5° |
| H201 | C20 | H202 | 109.5° | 109.5° |
| H261 | C26 | H262 | 109.5° | 109.4° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H011 | C01 | H013 | 109.4° | 109.5° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H031 | C03 | H032 | 109.5° | 109.5° |
| H041 | C04 | H042 | 109.5° | 109.4° |
| H091 | C09 | H092 | 109.4° | 109.5° |
| H121 | C12 | H122 | 109.5° | 109.5° |
| H121 | C12 | H123 | 109.4° | 109.4° |
| H122 | C12 | H123 | 109.5° | 109.5° |
| H191 | C19 | H192 | 109.5° | 109.5° |
| H351 | C35 | H352 | 109.4° | 109.5° |
| H361 | C36 | H362 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | O02 | C03 | C04 | 93.2° | 179.9° |
| O02 | C01 | H011 | H012 | 120.0° | 120.0° |
| O02 | C01 | H011 | H013 | 120.0° | 120.0° |
| O02 | C01 | H012 | H013 | 120.0° | 119.9° |
| C01 | O02 | C03 | H031 | 147.2° | 60.0° |
| C01 | O02 | C03 | H032 | 26.5° | 60.0° |
| O02 | C03 | C04 | H031 | 119.7° | 120.0° |
| O02 | C03 | C04 | H032 | 119.7° | 120.0° |
| O02 | C03 | C04 | O05 | 80.5° | 65.0° |
| C03 | O02 | C01 | H011 | 180.0° | 180.0° |
| C03 | O02 | C01 | H012 | 60.0° | 60.0° |
| C03 | O02 | C01 | H013 | 60.0° | 60.0° |
| O02 | C03 | H031 | H032 | 121.0° | 120.0° |
| O02 | C03 | C04 | H041 | 40.7° | 175.0° |
| O02 | C03 | C04 | H042 | 158.3° | 55.0° |
| C03 | C04 | O05 | H041 | 121.2° | 120.0° |
| C03 | C04 | O05 | H042 | 121.2° | 120.0° |
| C03 | C04 | O05 | C06 | 151.4° | 180.0° |
| C04 | C03 | H031 | H032 | 120.9° | 120.0° |
| C03 | C04 | H041 | H042 | 116.1° | 120.0° |
| C04 | O05 | C06 | C07 | 141.7° | 180.0° |
| C04 | O05 | C06 | C14 | 39.0° | 0.1° |
| O05 | C04 | C03 | H031 | 159.9° | 175.0° |
| O05 | C04 | C03 | H032 | 39.2° | 55.0° |
| O05 | C04 | H041 | H042 | 116.2° | 120.0° |
| O05 | C06 | C07 | O08 | 1.1° | 0.1° |
| O05 | C06 | C07 | C13 | 180.0° | 180.0° |
| O05 | C06 | C07 | C14 | 179.3° | 179.9° |
| O05 | C06 | C14 | C15 | 179.8° | 180.0° |
| C06 | O05 | C04 | H041 | 87.4° | 60.0° |
| C06 | O05 | C04 | H042 | 30.2° | 60.0° |
| O05 | C06 | C14 | H141 | 0.2° | 0.0° |
| O08 | C09 | C10 | H091 | 120.1° | 120.0° |
| O08 | C09 | C10 | H092 | 120.1° | 120.0° |
| O08 | C09 | C10 | O11 | 77.2° | 65.0° |
| C09 | O08 | C07 | C13 | 35.6° | 0.0° |
| C09 | O08 | C07 | C06 | 145.5° | 179.9° |
| O08 | C09 | C10 | H101 | 162.8° | 175.0° |
| O08 | C09 | C10 | H102 | 42.7° | 55.0° |
| O08 | C09 | H091 | H092 | 119.6° | 120.1° |
| C09 | C10 | O11 | H101 | 119.9° | 120.1° |
| C09 | C10 | O11 | H102 | 120.0° | 120.0° |
| C09 | C10 | O11 | C12 | 166.2° | 180.0° |
| C10 | C09 | O08 | C07 | 164.4° | 180.0° |
| C09 | C10 | H101 | H102 | 120.2° | 120.0° |
| C10 | C09 | H091 | H092 | 119.7° | 119.9° |
| O11 | C10 | H101 | H102 | 120.2° | 120.0° |
| O11 | C10 | C09 | H091 | 42.9° | 175.0° |
| O11 | C10 | C09 | H092 | 162.7° | 55.0° |
| C10 | O11 | C12 | H121 | 180.0° | 180.0° |
| C10 | O11 | C12 | H122 | 60.0° | 59.9° |
| C10 | O11 | C12 | H123 | 60.0° | 60.1° |
| C12 | O11 | C10 | H101 | 73.8° | 59.9° |
| C12 | O11 | C10 | H102 | 46.3° | 60.0° |
| O11 | C12 | H121 | H122 | 120.0° | 120.1° |
| O11 | C12 | H121 | H123 | 120.0° | 119.9° |
| O11 | C12 | H122 | H123 | 120.0° | 120.0° |
| O08 | C07 | C13 | C06 | 179.0° | 180.0° |
| O08 | C07 | C06 | C14 | 179.6° | 180.0° |
| O08 | C07 | C13 | C16 | 178.7° | 180.0° |
| O08 | C07 | C13 | H131 | 1.3° | 0.3° |
| C07 | O08 | C09 | H091 | 44.2° | 60.1° |
| C07 | O08 | C09 | H092 | 75.5° | 60.0° |
| C13 | C07 | C06 | C14 | 0.7° | 0.1° |
| C07 | C13 | C16 | C15 | 1.0° | 0.0° |
| C07 | C13 | C16 | C17 | 179.7° | 179.9° |
| C07 | C13 | C16 | H131 | 180.0° | 179.7° |
| C07 | C06 | C14 | C15 | 0.9° | 0.1° |
| C06 | C07 | C13 | C16 | 0.3° | 0.0° |
| C06 | C07 | C13 | H131 | 179.7° | 179.8° |
| C07 | C06 | C14 | H141 | 179.1° | 179.9° |
| C06 | C14 | C15 | H141 | 180.0° | 180.0° |
| C06 | C14 | C15 | C16 | 0.2° | 0.1° |
| C06 | C14 | C15 | N39 | 179.6° | 180.0° |
| C14 | C15 | C16 | N39 | 179.4° | 180.0° |
| C14 | C15 | C16 | C17 | 179.6° | 180.0° |
| C14 | C15 | N39 | C38 | 179.0° | 180.0° |
| C14 | C15 | C16 | C13 | 0.7° | 0.0° |
| C15 | C16 | C17 | C13 | 178.8° | 179.9° |
| C15 | C16 | C17 | N18 | 179.3° | 180.0° |
| C15 | C16 | C17 | N37 | 0.1° | 0.1° |
| C16 | C15 | N39 | C38 | 0.5° | 0.0° |
| C15 | C16 | C13 | H131 | 179.1° | 179.8° |
| C16 | C15 | C14 | H141 | 179.8° | 180.0° |
| C16 | C17 | N18 | C19 | 172.3° | 118.1° |
| C16 | C17 | N18 | N37 | 179.4° | 179.9° |
| C16 | C17 | N37 | C38 | 0.7° | 0.1° |
| C17 | C16 | C15 | N39 | 0.2° | 0.1° |
| C16 | C17 | N18 | C36 | 63.6° | 118.1° |
| C17 | C16 | C13 | H131 | 0.3° | 0.3° |
| N18 | C19 | C20 | H191 | 120.1° | 120.0° |
| N18 | C19 | C20 | H192 | 120.2° | 120.0° |
| N18 | C19 | C20 | N21 | 51.8° | 58.4° |
| C19 | N18 | C36 | C35 | 71.7° | 59.3° |
| C19 | N18 | C17 | C36 | 124.1° | 123.8° |
| C19 | N18 | C17 | N37 | 8.3° | 62.0° |
| N18 | C19 | C20 | H201 | 68.5° | 61.5° |
| N18 | C19 | C20 | H202 | 172.1° | 178.4° |
| N18 | C19 | H191 | H192 | 119.6° | 120.0° |
| C19 | N18 | C36 | H361 | 168.7° | 179.3° |
| C19 | N18 | C36 | H362 | 47.9° | 60.7° |
| C19 | C20 | N21 | H201 | 120.3° | 120.0° |
| C19 | C20 | N21 | H202 | 120.3° | 120.0° |
| C19 | C20 | N21 | C22 | 123.2° | 64.6° |
| C19 | C20 | N21 | C35 | 45.4° | 59.3° |
| C20 | C19 | N18 | C17 | 165.3° | 176.8° |
| C20 | C19 | N18 | C36 | 64.8° | 59.3° |
| C19 | C20 | H201 | H202 | 119.2° | 120.1° |
| C20 | C19 | H191 | H192 | 119.5° | 120.1° |
| C20 | N21 | C22 | N23 | 2.9° | 124.1° |
| C20 | N21 | C22 | C35 | 167.8° | 123.8° |
| C20 | N21 | C35 | C36 | 52.6° | 59.3° |
| C20 | N21 | C22 | N34 | 179.4° | 56.2° |
| N21 | C20 | H201 | H202 | 119.2° | 120.0° |
| N21 | C20 | C19 | H191 | 171.9° | 61.6° |
| N21 | C20 | C19 | H192 | 68.4° | 178.3° |
| C20 | N21 | C35 | H351 | 67.4° | 179.3° |
| C20 | N21 | C35 | H352 | 172.5° | 60.7° |
| C22 | N23 | C24 | C25 | 0.4° | 0.1° |
| N23 | C22 | N34 | C33 | 1.5° | 0.2° |
| N23 | C22 | N21 | N34 | 177.7° | 179.7° |
| N23 | C22 | N21 | C35 | 170.7° | 0.3° |
| C22 | N23 | C24 | H241 | 179.6° | 180.0° |
| N23 | C24 | C25 | H241 | 180.0° | 179.9° |
| N23 | C24 | C25 | C26 | 179.9° | 180.0° |
| N23 | C24 | C25 | C33 | 0.2° | 0.2° |
| C24 | N23 | C22 | N21 | 178.7° | 180.0° |
| C24 | N23 | C22 | N34 | 1.0° | 0.3° |
| C24 | C25 | C26 | C27 | 58.9° | 90.0° |
| C24 | C25 | C26 | C33 | 179.9° | 179.7° |
| C24 | C25 | C33 | N34 | 0.8° | 0.3° |
| C24 | C25 | C26 | H261 | 62.1° | 150.0° |
| C24 | C25 | C26 | H262 | 179.8° | 30.0° |
| C24 | C25 | C33 | H331 | 179.2° | 179.8° |
| C26 | C27 | C28 | C32 | 179.2° | 179.9° |
| C26 | C27 | C28 | C29 | 179.6° | 179.8° |
| C26 | C27 | C32 | C31 | 180.0° | 179.4° |
| C27 | C26 | C25 | H261 | 121.0° | 120.0° |
| C27 | C26 | C25 | H262 | 120.9° | 120.0° |
| C27 | C26 | C25 | C33 | 121.0° | 89.7° |
| C27 | C26 | H261 | H262 | 117.0° | 120.0° |
| C26 | C27 | C28 | H281 | 0.3° | 0.1° |
| C26 | C27 | C32 | H321 | 0.0° | 0.0° |
| C27 | C28 | C29 | H281 | 180.0° | 179.8° |
| C27 | C28 | C29 | C30 | 0.1° | 0.1° |
| C28 | C27 | C32 | C31 | 0.8° | 0.5° |
| C28 | C27 | C26 | C25 | 48.1° | 90.0° |
| C28 | C27 | C26 | H261 | 169.1° | 30.1° |
| C28 | C27 | C26 | H262 | 72.9° | 150.0° |
| C27 | C28 | C29 | H291 | 179.9° | 180.0° |
| C28 | C27 | C32 | H321 | 179.3° | 180.0° |
| C28 | C29 | C30 | H291 | 180.0° | 179.9° |
| C28 | C29 | C30 | C31 | 0.2° | 0.2° |
| C29 | C28 | C27 | C32 | 0.4° | 0.2° |
| C28 | C29 | C30 | H301 | 179.8° | 179.9° |
| C29 | C30 | C31 | H301 | 180.0° | 179.9° |
| C29 | C30 | C31 | C32 | 0.6° | 0.2° |
| C30 | C29 | C28 | H281 | 179.8° | 179.7° |
| C29 | C30 | C31 | H311 | 179.4° | 180.0° |
| C30 | C31 | C32 | H311 | 180.0° | 179.8° |
| C30 | C31 | C32 | C27 | 0.9° | 0.5° |
| C31 | C30 | C29 | H291 | 179.8° | 180.0° |
| C30 | C31 | C32 | H321 | 179.2° | 179.9° |
| C31 | C32 | C27 | H321 | 180.0° | 179.4° |
| C32 | C31 | C30 | H301 | 179.4° | 179.8° |
| C26 | C25 | C33 | N34 | 179.3° | 180.0° |
| C25 | C26 | C27 | C32 | 131.1° | 90.0° |
| C26 | C25 | C24 | H241 | 0.1° | 0.1° |
| C25 | C26 | H261 | H262 | 117.0° | 120.0° |
| C26 | C25 | C33 | H331 | 0.7° | 0.0° |
| C25 | C33 | N34 | H331 | 180.0° | 179.9° |
| C25 | C33 | N34 | C22 | 1.4° | 0.0° |
| C33 | C25 | C24 | H241 | 179.8° | 179.7° |
| C33 | C25 | C26 | H261 | 118.1° | 30.3° |
| C33 | C25 | C26 | H262 | 0.0° | 150.3° |
| C33 | N34 | C22 | N21 | 179.1° | 180.0° |
| C22 | N21 | C35 | C36 | 116.4° | 64.6° |
| C22 | N21 | C20 | H201 | 116.6° | 175.5° |
| C22 | N21 | C20 | H202 | 2.9° | 55.5° |
| C22 | N21 | C35 | H351 | 123.6° | 55.5° |
| C22 | N21 | C35 | H352 | 3.6° | 175.5° |
| N21 | C35 | C36 | H351 | 120.0° | 120.0° |
| N21 | C35 | C36 | H352 | 120.0° | 119.9° |
| N21 | C35 | C36 | N18 | 66.1° | 58.4° |
| C35 | N21 | C22 | N34 | 11.7° | 180.0° |
| C35 | N21 | C20 | H201 | 74.9° | 60.7° |
| C35 | N21 | C20 | H202 | 165.7° | 179.3° |
| N21 | C35 | H351 | H352 | 120.1° | 120.0° |
| N21 | C35 | C36 | H361 | 174.3° | 178.3° |
| N21 | C35 | C36 | H362 | 53.6° | 61.6° |
| C35 | C36 | N18 | C17 | 158.6° | 176.8° |
| C35 | C36 | N18 | H361 | 119.6° | 120.0° |
| C35 | C36 | N18 | H362 | 119.6° | 120.0° |
| C36 | C35 | H351 | H352 | 120.1° | 120.1° |
| C35 | C36 | H361 | H362 | 121.1° | 120.1° |
| N18 | C17 | N37 | C38 | 180.0° | 180.0° |
| N18 | C17 | C16 | C13 | 1.9° | 0.1° |
| C17 | N18 | C19 | H191 | 45.2° | 63.2° |
| C17 | N18 | C19 | H192 | 74.5° | 56.8° |
| C17 | N18 | C36 | H361 | 39.0° | 56.8° |
| C17 | N18 | C36 | H362 | 81.8° | 63.2° |
| C17 | N37 | C38 | N39 | 1.6° | 0.0° |
| N37 | C17 | C16 | C13 | 178.7° | 180.0° |
| N37 | C17 | N18 | C36 | 115.7° | 61.9° |
| C17 | N37 | C38 | H381 | 178.5° | 180.0° |
| N37 | C38 | N39 | H381 | 180.0° | 180.0° |
| N37 | C38 | N39 | C15 | 1.4° | 0.0° |
| C13 | C16 | C15 | N39 | 178.7° | 180.0° |
| N39 | C15 | C14 | H141 | 0.4° | 0.0° |
| C15 | N39 | C38 | H381 | 178.6° | 180.0° |
| C36 | N18 | C19 | H191 | 175.1° | 60.7° |
| C36 | N18 | C19 | H192 | 55.4° | 179.3° |
| N18 | C36 | C35 | H351 | 53.9° | 178.4° |
| N18 | C36 | C35 | H352 | 173.9° | 61.5° |
| N18 | C36 | H361 | H362 | 121.1° | 120.0° |
| C22 | N34 | C33 | H331 | 178.6° | 180.0° |
| C32 | C27 | C26 | H261 | 10.2° | 150.0° |
| C32 | C27 | C26 | H262 | 107.9° | 30.0° |
| C32 | C27 | C28 | H281 | 179.6° | 180.0° |
| C27 | C32 | C31 | H311 | 179.1° | 179.7° |
| H101 | C10 | C09 | H091 | 77.0° | 55.0° |
| H101 | C10 | C09 | H092 | 42.8° | 65.0° |
| H102 | C10 | C09 | H091 | 162.9° | 65.0° |
| H102 | C10 | C09 | H092 | 77.4° | 175.0° |
| H201 | C20 | C19 | H191 | 51.7° | 178.5° |
| H201 | C20 | C19 | H192 | 171.4° | 58.4° |
| H202 | C20 | C19 | H191 | 67.8° | 58.4° |
| H202 | C20 | C19 | H192 | 51.9° | 61.7° |
| H281 | C28 | C29 | H291 | 0.2° | 0.2° |
| H011 | C01 | H012 | H013 | 120.0° | 120.0° |
| H031 | C03 | C04 | H041 | 78.9° | 55.0° |
| H031 | C03 | C04 | H042 | 38.6° | 65.0° |
| H032 | C03 | C04 | H041 | 160.4° | 65.1° |
| H032 | C03 | C04 | H042 | 82.0° | 175.0° |
| H121 | C12 | H122 | H123 | 120.0° | 119.9° |
| H291 | C29 | C30 | H301 | 0.2° | 0.0° |
| H301 | C30 | C31 | H311 | 0.6° | 0.1° |
| H311 | C31 | C32 | H321 | 0.8° | 0.2° |
| H351 | C35 | C36 | H361 | 65.7° | 61.7° |
| H351 | C35 | C36 | H362 | 173.5° | 58.4° |
| H352 | C35 | C36 | H361 | 54.3° | 58.4° |
| H352 | C35 | C36 | H362 | 66.4° | 178.5° |
