VL1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O11 | C10 | doub | 1.22Å | 1.18Å | |
| C03 | N02 | sing | 1.47Å | 1.47Å | |
| C06 | C05 | sing | 1.53Å | 1.56Å | |
| C06 | N07 | sing | 1.47Å | 1.60Å | |
| C10 | N07 | sing | 1.35Å | 1.51Å | |
| C10 | C12 | sing | 1.48Å | 1.57Å | |
| C05 | C04 | sing | 1.53Å | 1.38Å | |
| C04 | N02 | sing | 1.47Å | 1.51Å | |
| C04 | C09 | sing | 1.53Å | 1.39Å | |
| N07 | C08 | sing | 1.47Å | 1.59Å | |
| C12 | C17 | doub | 1.40Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.40Å | 1.39Å | Aromatic |
| N02 | C01 | sing | 1.47Å | 1.48Å | |
| C17 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C09 | C08 | sing | 1.53Å | 1.55Å | |
| C13 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| O20 | C19 | doub | 1.22Å | 1.18Å | |
| C15 | N18 | sing | 1.39Å | 1.47Å | |
| C45 | N40 | sing | 1.47Å | 1.46Å | |
| C45 | C44 | sing | 1.53Å | 1.52Å | |
| N40 | C41 | sing | 1.47Å | 1.47Å | |
| N40 | C30 | sing | 1.38Å | 1.49Å | |
| C19 | N18 | sing | 1.35Å | 1.46Å | |
| C19 | N21 | sing | 1.35Å | 1.48Å | |
| C23 | C24 | doub | 1.38Å | 1.41Å | Aromatic |
| C23 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| C41 | C42 | sing | 1.53Å | 1.53Å | |
| C24 | C25 | sing | 1.39Å | 1.40Å | Aromatic |
| N29 | C30 | doub | 1.33Å | 1.34Å | Aromatic |
| N29 | C28 | sing | 1.33Å | 1.34Å | Aromatic |
| C30 | N31 | sing | 1.33Å | 1.34Å | Aromatic |
| C42 | O43 | sing | 1.43Å | 1.39Å | |
| C22 | N21 | sing | 1.40Å | 1.47Å | |
| C22 | C27 | doub | 1.39Å | 1.41Å | Aromatic |
| C25 | C28 | sing | 1.48Å | 1.55Å | |
| C25 | C26 | doub | 1.40Å | 1.40Å | Aromatic |
| C28 | N33 | doub | 1.33Å | 1.33Å | Aromatic |
| N31 | C32 | doub | 1.33Å | 1.34Å | Aromatic |
| C44 | O43 | sing | 1.43Å | 1.39Å | |
| C27 | C26 | sing | 1.38Å | 1.40Å | Aromatic |
| N33 | C32 | sing | 1.33Å | 1.34Å | Aromatic |
| C32 | N34 | sing | 1.38Å | 1.46Å | |
| N34 | C39 | sing | 1.47Å | 1.46Å | |
| N34 | C35 | sing | 1.47Å | 1.46Å | |
| C39 | C38 | sing | 1.53Å | 1.53Å | |
| C35 | C36 | sing | 1.53Å | 1.53Å | |
| C38 | O37 | sing | 1.43Å | 1.39Å | |
| C36 | O37 | sing | 1.43Å | 1.39Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C03 | H033 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | 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 | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| C42 | H421 | sing | 1.09Å | 1.10Å | |
| C42 | H422 | sing | 1.09Å | 1.10Å | |
| C44 | H441 | sing | 1.09Å | 1.10Å | |
| C44 | H442 | sing | 1.09Å | 1.10Å | |
| C45 | H451 | sing | 1.09Å | 1.10Å | |
| C45 | H452 | sing | 1.09Å | 1.10Å | |
| N18 | H181 | sing | 0.97Å | 1.00Å | |
| N21 | H211 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O11 | C10 | N07 | 120.0° | 120.0° |
| O11 | C10 | C12 | 119.6° | 120.0° |
| C03 | N02 | C04 | 108.5° | 111.0° |
| C03 | N02 | C01 | 110.4° | 111.0° |
| N02 | C03 | H032 | 109.5° | 109.4° |
| N02 | C03 | H033 | 109.5° | 109.5° |
| N02 | C03 | H031 | 109.5° | 109.5° |
| C05 | C06 | N07 | 119.5° | 108.7° |
| C06 | C05 | C04 | 114.4° | 109.3° |
| C06 | C05 | H052 | 108.2° | 109.5° |
| C06 | C05 | H051 | 108.3° | 109.5° |
| C05 | C06 | H062 | 106.9° | 109.6° |
| C05 | C06 | H061 | 106.9° | 109.6° |
| C06 | N07 | C10 | 134.8° | 120.6° |
| C06 | N07 | C08 | 91.6° | 118.7° |
| N07 | C06 | H062 | 106.9° | 109.6° |
| N07 | C06 | H061 | 106.9° | 109.6° |
| N07 | C10 | C12 | 120.4° | 120.0° |
| C10 | N07 | C08 | 133.6° | 120.7° |
| C10 | C12 | C17 | 120.7° | 120.0° |
| C10 | C12 | C13 | 118.8° | 120.1° |
| C05 | C04 | N02 | 112.5° | 109.4° |
| C05 | C04 | C09 | 115.0° | 109.5° |
| C05 | C04 | H041 | 107.8° | 109.4° |
| C04 | C05 | H052 | 108.3° | 109.5° |
| C04 | C05 | H051 | 108.2° | 109.5° |
| N02 | C04 | C09 | 107.2° | 109.5° |
| C04 | N02 | C01 | 113.5° | 111.0° |
| N02 | C04 | H041 | 106.2° | 109.5° |
| C04 | C09 | C08 | 112.3° | 109.3° |
| C09 | C04 | H041 | 107.7° | 109.5° |
| C04 | C09 | H091 | 108.8° | 109.6° |
| C04 | C09 | H092 | 108.8° | 109.5° |
| N07 | C08 | C09 | 110.4° | 108.8° |
| N07 | C08 | H082 | 109.2° | 109.6° |
| N07 | C08 | H081 | 109.2° | 109.7° |
| C17 | C12 | C13 | 120.5° | 119.9° |
| C12 | C17 | C16 | 120.6° | 119.9° |
| C12 | C17 | H171 | 119.7° | 120.1° |
| C12 | C13 | C14 | 118.8° | 119.9° |
| C12 | C13 | H131 | 120.6° | 120.0° |
| N02 | C01 | H012 | 109.5° | 109.5° |
| N02 | C01 | H013 | 109.5° | 109.5° |
| N02 | C01 | H011 | 109.5° | 109.5° |
| C17 | C16 | C15 | 118.8° | 120.1° |
| C16 | C17 | H171 | 119.7° | 120.0° |
| C17 | C16 | H161 | 120.6° | 120.0° |
| C09 | C08 | H082 | 109.2° | 109.6° |
| C09 | C08 | H081 | 109.2° | 109.6° |
| C08 | C09 | H091 | 108.8° | 109.5° |
| C08 | C09 | H092 | 108.7° | 109.5° |
| C13 | C14 | C15 | 120.8° | 120.1° |
| C14 | C13 | H131 | 120.6° | 120.1° |
| C13 | C14 | H141 | 119.6° | 120.0° |
| C16 | C15 | C14 | 120.5° | 120.2° |
| C16 | C15 | N18 | 123.4° | 119.9° |
| C15 | C16 | H161 | 120.6° | 119.9° |
| C14 | C15 | N18 | 116.1° | 119.9° |
| C15 | C14 | H141 | 119.6° | 120.0° |
| O20 | C19 | N18 | 121.6° | 119.9° |
| O20 | C19 | N21 | 123.0° | 120.1° |
| C15 | N18 | C19 | 123.1° | 120.0° |
| C15 | N18 | H181 | 118.4° | 120.0° |
| N40 | C45 | C44 | 110.9° | 109.2° |
| C45 | N40 | C41 | 108.2° | 110.7° |
| C45 | N40 | C30 | 118.9° | 111.0° |
| N40 | C45 | H451 | 109.1° | 109.5° |
| N40 | C45 | H452 | 109.1° | 109.5° |
| C45 | C44 | O43 | 112.0° | 109.3° |
| C45 | C44 | H441 | 108.8° | 109.5° |
| C45 | C44 | H442 | 108.8° | 109.5° |
| C44 | C45 | H451 | 109.1° | 109.5° |
| C44 | C45 | H452 | 109.1° | 109.5° |
| C41 | N40 | C30 | 117.8° | 111.0° |
| N40 | C41 | C42 | 117.6° | 109.3° |
| N40 | C41 | H411 | 107.4° | 109.5° |
| N40 | C41 | H412 | 107.4° | 109.6° |
| N40 | C30 | N29 | 119.8° | 120.0° |
| N40 | C30 | N31 | 120.1° | 120.0° |
| N18 | C19 | N21 | 115.4° | 120.0° |
| C19 | N18 | H181 | 118.4° | 120.0° |
| C19 | N21 | C22 | 123.4° | 120.0° |
| C19 | N21 | H211 | 118.3° | 120.0° |
| C24 | C23 | C22 | 118.3° | 120.1° |
| C23 | C24 | C25 | 120.7° | 120.0° |
| C23 | C24 | H241 | 119.6° | 120.0° |
| C24 | C23 | H231 | 120.9° | 120.0° |
| C23 | C22 | N21 | 119.4° | 120.0° |
| C23 | C22 | C27 | 121.4° | 120.1° |
| C22 | C23 | H231 | 120.9° | 119.9° |
| C41 | C42 | O43 | 117.8° | 109.2° |
| C42 | C41 | H411 | 107.4° | 109.5° |
| C42 | C41 | H412 | 107.4° | 109.5° |
| C41 | C42 | H421 | 107.4° | 109.5° |
| C41 | C42 | H422 | 107.3° | 109.5° |
| C24 | C25 | C28 | 120.0° | 120.0° |
| C24 | C25 | C26 | 120.7° | 119.9° |
| C25 | C24 | H241 | 119.7° | 120.0° |
| C30 | N29 | C28 | 119.7° | 120.0° |
| N29 | C30 | N31 | 120.1° | 120.0° |
| N29 | C28 | C25 | 120.8° | 120.0° |
| N29 | C28 | N33 | 120.4° | 120.0° |
| C30 | N31 | C32 | 119.7° | 120.1° |
| C42 | O43 | C44 | 115.4° | 113.7° |
| O43 | C42 | H421 | 107.4° | 109.5° |
| O43 | C42 | H422 | 107.4° | 109.5° |
| N21 | C22 | C27 | 119.1° | 119.9° |
| C22 | N21 | H211 | 118.3° | 120.0° |
| C22 | C27 | C26 | 120.1° | 120.1° |
| C22 | C27 | H271 | 120.0° | 120.0° |
| C28 | C25 | C26 | 119.4° | 120.0° |
| C25 | C28 | N33 | 118.8° | 120.0° |
| C25 | C26 | C27 | 118.8° | 119.9° |
| C25 | C26 | H261 | 120.6° | 120.1° |
| C28 | N33 | C32 | 119.8° | 120.0° |
| N31 | C32 | N33 | 120.4° | 120.0° |
| N31 | C32 | N34 | 120.8° | 120.0° |
| O43 | C44 | H441 | 108.8° | 109.5° |
| O43 | C44 | H442 | 108.8° | 109.5° |
| C27 | C26 | H261 | 120.6° | 120.0° |
| C26 | C27 | H271 | 119.9° | 120.0° |
| N33 | C32 | N34 | 118.8° | 120.0° |
| C32 | N34 | C39 | 124.1° | 111.0° |
| C32 | N34 | C35 | 123.5° | 111.0° |
| C39 | N34 | C35 | 110.8° | 110.8° |
| N34 | C39 | C38 | 111.0° | 109.2° |
| N34 | C39 | H392 | 109.1° | 109.5° |
| N34 | C39 | H391 | 109.1° | 109.5° |
| N34 | C35 | C36 | 111.3° | 109.2° |
| N34 | C35 | H352 | 109.0° | 109.5° |
| N34 | C35 | H351 | 109.0° | 109.6° |
| C39 | C38 | O37 | 112.6° | 109.3° |
| C39 | C38 | H382 | 108.7° | 109.5° |
| C39 | C38 | H381 | 108.7° | 109.6° |
| C38 | C39 | H392 | 109.1° | 109.4° |
| C38 | C39 | H391 | 109.1° | 109.5° |
| C35 | C36 | O37 | 113.1° | 109.2° |
| C36 | C35 | H352 | 109.0° | 109.5° |
| C36 | C35 | H351 | 109.0° | 109.5° |
| C35 | C36 | H362 | 108.6° | 109.5° |
| C35 | C36 | H361 | 108.6° | 109.5° |
| C38 | O37 | C36 | 113.7° | 113.7° |
| O37 | C38 | H382 | 108.7° | 109.5° |
| O37 | C38 | H381 | 108.7° | 109.5° |
| O37 | C36 | H362 | 108.6° | 109.5° |
| O37 | C36 | H361 | 108.6° | 109.5° |
| H012 | C01 | H013 | 109.4° | 109.5° |
| H012 | C01 | H011 | 109.5° | 109.5° |
| H013 | C01 | H011 | 109.5° | 109.4° |
| H032 | C03 | H033 | 109.5° | 109.5° |
| H032 | C03 | H031 | 109.5° | 109.5° |
| H033 | C03 | H031 | 109.4° | 109.4° |
| H052 | C05 | H051 | 109.5° | 109.5° |
| H062 | C06 | H061 | 109.5° | 109.7° |
| H082 | C08 | H081 | 109.5° | 109.6° |
| H091 | C09 | H092 | 109.5° | 109.5° |
| H352 | C35 | H351 | 109.5° | 109.5° |
| H362 | C36 | H361 | 109.5° | 109.5° |
| H382 | C38 | H381 | 109.5° | 109.4° |
| H392 | C39 | H391 | 109.4° | 109.6° |
| H411 | C41 | H412 | 109.5° | 109.5° |
| H421 | C42 | H422 | 109.5° | 109.6° |
| H441 | C44 | H442 | 109.5° | 109.5° |
| H451 | C45 | H452 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O11 | C10 | N07 | C06 | 0.3° | 174.7° |
| O11 | C10 | N07 | C12 | 179.1° | 179.9° |
| O11 | C10 | N07 | C08 | 179.7° | 5.4° |
| O11 | C10 | C12 | C17 | 115.9° | 146.6° |
| O11 | C10 | C12 | C13 | 64.9° | 33.3° |
| C03 | N02 | C04 | C05 | 77.2° | 70.0° |
| C03 | N02 | C04 | C01 | 123.2° | 124.0° |
| C03 | N02 | C04 | C09 | 155.4° | 170.0° |
| C03 | N02 | C01 | H012 | 180.0° | 56.0° |
| C03 | N02 | C01 | H013 | 60.0° | 176.1° |
| C03 | N02 | C01 | H011 | 60.0° | 64.0° |
| N02 | C03 | H032 | H033 | 120.0° | 120.0° |
| N02 | C03 | H032 | H031 | 120.0° | 120.0° |
| N02 | C03 | H033 | H031 | 120.0° | 120.0° |
| C03 | N02 | C04 | H041 | 40.5° | 50.0° |
| C05 | C06 | N07 | H062 | 121.4° | 119.8° |
| C05 | C06 | N07 | H061 | 121.4° | 119.8° |
| C05 | C06 | N07 | C10 | 145.0° | 126.4° |
| C06 | C05 | C04 | H052 | 120.7° | 119.9° |
| C06 | C05 | C04 | H051 | 120.7° | 120.0° |
| C06 | C05 | C04 | N02 | 171.1° | 178.6° |
| C06 | C05 | C04 | C09 | 47.9° | 61.4° |
| C05 | C06 | N07 | C08 | 35.0° | 53.6° |
| C06 | C05 | C04 | H041 | 72.2° | 58.6° |
| C06 | C05 | H052 | H051 | 117.8° | 120.1° |
| C05 | C06 | H062 | H061 | 115.5° | 120.4° |
| C06 | N07 | C10 | C08 | 180.0° | 179.9° |
| C06 | N07 | C10 | C12 | 179.4° | 5.4° |
| N07 | C06 | C05 | C04 | 21.4° | 54.7° |
| C06 | N07 | C08 | C09 | 73.4° | 53.6° |
| N07 | C06 | C05 | H052 | 99.4° | 174.6° |
| N07 | C06 | C05 | H051 | 142.0° | 65.3° |
| N07 | C06 | H062 | H061 | 115.5° | 120.3° |
| C06 | N07 | C08 | H082 | 166.5° | 173.4° |
| C06 | N07 | C08 | H081 | 46.8° | 66.2° |
| N07 | C10 | C12 | C17 | 65.0° | 33.3° |
| N07 | C10 | C12 | C13 | 114.2° | 146.8° |
| C10 | N07 | C08 | C09 | 106.7° | 126.5° |
| C10 | N07 | C06 | H062 | 23.6° | 113.7° |
| C10 | N07 | C06 | H061 | 93.6° | 6.7° |
| C10 | N07 | C08 | H082 | 13.5° | 6.6° |
| C10 | N07 | C08 | H081 | 133.2° | 113.7° |
| C12 | C10 | N07 | C08 | 0.6° | 174.5° |
| C10 | C12 | C17 | C13 | 179.2° | 179.9° |
| C10 | C12 | C17 | C16 | 179.6° | 179.4° |
| C10 | C12 | C13 | C14 | 179.7° | 179.9° |
| C10 | C12 | C13 | H131 | 0.4° | 0.4° |
| C10 | C12 | C17 | H171 | 0.4° | 0.2° |
| C05 | C04 | N02 | C09 | 127.4° | 120.0° |
| C05 | C04 | N02 | H041 | 117.7° | 120.0° |
| C05 | C04 | C09 | H041 | 120.1° | 120.0° |
| C05 | C04 | N02 | C01 | 46.0° | 54.0° |
| C05 | C04 | C09 | C08 | 10.2° | 61.4° |
| C04 | C05 | H052 | H051 | 117.8° | 120.1° |
| C04 | C05 | C06 | H062 | 100.0° | 65.1° |
| C04 | C05 | C06 | H061 | 142.8° | 174.5° |
| C05 | C04 | C09 | H091 | 110.2° | 58.6° |
| C05 | C04 | C09 | H092 | 130.6° | 178.7° |
| N02 | C04 | C09 | H041 | 113.9° | 120.0° |
| N02 | C04 | C09 | C08 | 136.1° | 178.6° |
| C04 | N02 | C01 | H012 | 57.9° | 180.0° |
| C04 | N02 | C01 | H013 | 62.1° | 59.9° |
| C04 | N02 | C01 | H011 | 177.9° | 60.0° |
| C04 | N02 | C03 | H032 | 180.0° | 60.0° |
| C04 | N02 | C03 | H033 | 60.0° | 180.0° |
| C04 | N02 | C03 | H031 | 60.0° | 60.0° |
| N02 | C04 | C05 | H052 | 50.3° | 58.7° |
| N02 | C04 | C05 | H051 | 68.2° | 61.4° |
| N02 | C04 | C09 | H091 | 15.7° | 61.4° |
| N02 | C04 | C09 | H092 | 103.5° | 58.7° |
| C04 | C09 | C08 | N07 | 58.6° | 54.7° |
| C09 | C04 | N02 | C01 | 81.5° | 66.0° |
| C04 | C09 | C08 | H091 | 120.4° | 120.0° |
| C04 | C09 | C08 | H092 | 120.4° | 119.9° |
| C09 | C04 | C05 | H052 | 72.8° | 178.7° |
| C09 | C04 | C05 | H051 | 168.6° | 58.6° |
| C04 | C09 | C08 | H082 | 178.7° | 174.4° |
| C04 | C09 | C08 | H081 | 61.6° | 65.3° |
| C04 | C09 | H091 | H092 | 118.7° | 120.1° |
| N07 | C08 | C09 | H082 | 120.1° | 119.8° |
| N07 | C08 | C09 | H081 | 120.1° | 119.9° |
| C08 | N07 | C06 | H062 | 156.4° | 66.2° |
| C08 | N07 | C06 | H061 | 86.4° | 173.4° |
| N07 | C08 | H082 | H081 | 119.6° | 120.4° |
| N07 | C08 | C09 | H091 | 179.0° | 65.4° |
| N07 | C08 | C09 | H092 | 61.8° | 174.6° |
| C12 | C17 | C16 | H171 | 180.0° | 179.1° |
| C17 | C12 | C13 | C14 | 0.4° | 0.1° |
| C12 | C17 | C16 | C15 | 0.5° | 0.8° |
| C17 | C12 | C13 | H131 | 179.6° | 179.7° |
| C12 | C17 | C16 | H161 | 179.5° | 179.2° |
| C13 | C12 | C17 | C16 | 0.4° | 0.5° |
| C12 | C13 | C14 | H131 | 180.0° | 179.7° |
| C12 | C13 | C14 | C15 | 0.6° | 0.3° |
| C13 | C12 | C17 | H171 | 179.6° | 179.7° |
| C12 | C13 | C14 | H141 | 179.4° | 179.7° |
| N02 | C01 | H012 | H013 | 120.0° | 120.0° |
| N02 | C01 | H012 | H011 | 120.0° | 120.0° |
| N02 | C01 | H013 | H011 | 120.0° | 120.0° |
| C01 | N02 | C03 | H032 | 55.0° | 176.0° |
| C01 | N02 | C03 | H033 | 65.0° | 56.0° |
| C01 | N02 | C03 | H031 | 175.0° | 63.9° |
| C01 | N02 | C04 | H041 | 163.6° | 174.0° |
| C17 | C16 | C15 | H161 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 0.7° | 0.6° |
| C17 | C16 | C15 | N18 | 179.3° | 179.4° |
| C08 | C09 | C04 | H041 | 109.9° | 58.6° |
| C09 | C08 | H082 | H081 | 119.5° | 120.3° |
| C08 | C09 | H091 | H092 | 118.7° | 120.0° |
| C13 | C14 | C15 | C16 | 0.7° | 0.0° |
| C13 | C14 | C15 | H141 | 180.0° | 180.0° |
| C13 | C14 | C15 | N18 | 179.4° | 180.0° |
| C16 | C15 | C14 | N18 | 178.7° | 180.0° |
| C16 | C15 | N18 | C19 | 26.7° | 34.5° |
| C15 | C16 | C17 | H171 | 179.5° | 180.0° |
| C16 | C15 | C14 | H141 | 179.3° | 180.0° |
| C16 | C15 | N18 | H181 | 153.2° | 145.5° |
| C14 | C15 | N18 | C19 | 151.9° | 145.5° |
| C15 | C14 | C13 | H131 | 179.5° | 180.0° |
| C14 | C15 | C16 | H161 | 179.3° | 179.4° |
| C14 | C15 | N18 | H181 | 28.1° | 34.5° |
| O20 | C19 | N18 | C15 | 0.8° | 5.2° |
| O20 | C19 | N18 | N21 | 179.0° | 180.0° |
| O20 | C19 | N21 | C22 | 2.7° | 5.1° |
| O20 | C19 | N18 | H181 | 179.2° | 174.8° |
| O20 | C19 | N21 | H211 | 177.4° | 175.0° |
| C15 | N18 | C19 | H181 | 180.0° | 180.0° |
| C15 | N18 | C19 | N21 | 178.2° | 174.8° |
| N18 | C15 | C14 | H141 | 0.6° | 0.0° |
| N18 | C15 | C16 | H161 | 0.7° | 0.6° |
| N40 | C45 | C44 | H451 | 120.2° | 120.0° |
| N40 | C45 | C44 | H452 | 120.2° | 119.9° |
| C45 | N40 | C41 | C30 | 138.5° | 123.7° |
| C45 | N40 | C41 | C42 | 3.3° | 58.7° |
| C45 | N40 | C30 | N29 | 172.8° | 0.2° |
| C45 | N40 | C30 | N31 | 7.2° | 180.0° |
| N40 | C45 | C44 | O43 | 68.2° | 56.9° |
| C45 | N40 | C41 | H411 | 124.5° | 178.6° |
| C45 | N40 | C41 | H412 | 117.9° | 61.4° |
| N40 | C45 | C44 | H441 | 171.5° | 63.1° |
| N40 | C45 | C44 | H442 | 52.2° | 176.8° |
| N40 | C45 | H451 | H452 | 119.4° | 120.1° |
| C44 | C45 | N40 | C41 | 50.4° | 58.6° |
| C44 | C45 | N40 | C30 | 87.6° | 177.6° |
| C45 | C44 | O43 | C42 | 28.1° | 58.7° |
| C45 | C44 | O43 | H441 | 120.4° | 120.0° |
| C45 | C44 | O43 | H442 | 120.4° | 120.0° |
| C45 | C44 | H441 | H442 | 118.9° | 120.1° |
| C44 | C45 | H451 | H452 | 119.4° | 120.1° |
| N40 | C41 | C42 | H411 | 121.2° | 119.9° |
| N40 | C41 | C42 | H412 | 121.2° | 120.1° |
| C41 | N40 | C30 | N29 | 53.2° | 123.3° |
| C41 | N40 | C30 | N31 | 126.9° | 56.4° |
| N40 | C41 | C42 | O43 | 34.8° | 56.9° |
| N40 | C41 | H411 | H412 | 116.3° | 120.1° |
| N40 | C41 | C42 | H421 | 156.0° | 176.8° |
| N40 | C41 | C42 | H422 | 86.4° | 63.0° |
| C41 | N40 | C45 | H451 | 69.8° | 61.3° |
| C41 | N40 | C45 | H452 | 170.6° | 178.6° |
| C30 | N40 | C41 | C42 | 135.2° | 177.6° |
| N40 | C30 | N29 | N31 | 180.0° | 179.8° |
| N40 | C30 | N29 | C28 | 179.5° | 179.7° |
| N40 | C30 | N31 | C32 | 179.8° | 180.0° |
| C30 | N40 | C41 | H411 | 14.0° | 57.7° |
| C30 | N40 | C41 | H412 | 103.6° | 62.4° |
| C30 | N40 | C45 | H451 | 152.2° | 62.5° |
| C30 | N40 | C45 | H452 | 32.6° | 57.7° |
| N18 | C19 | N21 | C22 | 178.3° | 174.9° |
| N18 | C19 | N21 | H211 | 1.7° | 5.0° |
| C19 | N21 | C22 | C23 | 19.0° | 27.6° |
| C19 | N21 | C22 | H211 | 180.0° | 179.9° |
| C19 | N21 | C22 | C27 | 165.0° | 152.7° |
| N21 | C19 | N18 | H181 | 1.8° | 5.2° |
| C24 | C23 | C22 | H231 | 180.0° | 180.0° |
| C23 | C24 | C25 | H241 | 180.0° | 179.7° |
| C24 | C23 | C22 | N21 | 178.2° | 180.0° |
| C24 | C23 | C22 | C27 | 2.4° | 0.3° |
| C23 | C24 | C25 | C28 | 179.5° | 179.7° |
| C23 | C24 | C25 | C26 | 0.2° | 0.3° |
| C22 | C23 | C24 | C25 | 1.0° | 0.0° |
| C23 | C22 | N21 | C27 | 176.0° | 179.7° |
| C23 | C22 | C27 | C26 | 2.5° | 0.2° |
| C22 | C23 | C24 | H241 | 178.9° | 179.7° |
| C23 | C22 | C27 | H271 | 177.5° | 179.7° |
| C23 | C22 | N21 | H211 | 161.0° | 152.4° |
| C41 | C42 | O43 | H421 | 121.2° | 119.9° |
| C41 | C42 | O43 | H422 | 121.2° | 120.0° |
| C41 | C42 | O43 | C44 | 19.9° | 58.7° |
| C42 | C41 | H411 | H412 | 116.3° | 120.1° |
| C41 | C42 | H421 | H422 | 116.2° | 120.2° |
| C24 | C25 | C28 | N29 | 1.6° | 0.2° |
| C24 | C25 | C28 | C26 | 179.3° | 180.0° |
| C24 | C25 | C28 | N33 | 176.9° | 180.0° |
| C24 | C25 | C26 | C27 | 0.2° | 0.3° |
| C24 | C25 | C26 | H261 | 179.8° | 180.0° |
| C25 | C24 | C23 | H231 | 179.0° | 180.0° |
| C30 | N29 | C28 | C25 | 179.5° | 179.7° |
| C30 | N29 | C28 | N33 | 1.0° | 0.1° |
| N29 | C30 | N31 | C32 | 0.2° | 0.2° |
| C28 | N29 | C30 | N31 | 0.5° | 0.0° |
| N29 | C28 | C25 | N33 | 178.5° | 179.8° |
| N29 | C28 | C25 | C26 | 179.1° | 179.8° |
| N29 | C28 | N33 | C32 | 1.2° | 0.2° |
| C30 | N31 | C32 | N33 | 0.4° | 0.5° |
| C30 | N31 | C32 | N34 | 179.8° | 180.0° |
| O43 | C42 | C41 | H411 | 86.4° | 176.8° |
| O43 | C42 | C41 | H412 | 156.0° | 63.1° |
| O43 | C42 | H421 | H422 | 116.2° | 120.1° |
| C42 | O43 | C44 | H441 | 148.5° | 61.3° |
| C42 | O43 | C44 | H442 | 92.2° | 178.7° |
| N21 | C22 | C27 | C26 | 178.3° | 180.0° |
| N21 | C22 | C23 | H231 | 1.8° | 0.0° |
| N21 | C22 | C27 | H271 | 1.6° | 0.0° |
| C22 | C27 | C26 | C25 | 1.1° | 0.1° |
| C22 | C27 | C26 | H271 | 180.0° | 179.9° |
| C22 | C27 | C26 | H261 | 178.9° | 179.8° |
| C27 | C22 | C23 | H231 | 177.6° | 179.8° |
| C27 | C22 | N21 | H211 | 15.0° | 27.4° |
| C28 | C25 | C26 | C27 | 179.5° | 179.7° |
| C25 | C28 | N33 | C32 | 179.7° | 180.0° |
| C28 | C25 | C24 | H241 | 0.5° | 0.0° |
| C28 | C25 | C26 | H261 | 0.5° | 0.0° |
| C26 | C25 | C28 | N33 | 2.4° | 0.1° |
| C25 | C26 | C27 | H261 | 180.0° | 179.7° |
| C26 | C25 | C24 | H241 | 179.8° | 180.0° |
| C25 | C26 | C27 | H271 | 178.9° | 180.0° |
| C28 | N33 | C32 | N31 | 0.9° | 0.5° |
| C28 | N33 | C32 | N34 | 179.7° | 180.0° |
| N31 | C32 | N33 | N34 | 179.4° | 179.5° |
| N31 | C32 | N34 | C39 | 2.6° | 180.0° |
| N31 | C32 | N34 | C35 | 166.7° | 56.4° |
| C44 | O43 | C42 | H421 | 141.1° | 178.6° |
| C44 | O43 | C42 | H422 | 101.3° | 61.3° |
| O43 | C44 | H441 | H442 | 118.8° | 120.0° |
| O43 | C44 | C45 | H451 | 52.1° | 63.1° |
| O43 | C44 | C45 | H452 | 171.7° | 176.8° |
| N33 | C32 | N34 | C39 | 178.0° | 0.5° |
| N33 | C32 | N34 | C35 | 14.0° | 124.1° |
| C32 | N34 | C39 | C35 | 165.8° | 123.8° |
| C32 | N34 | C39 | C38 | 141.5° | 177.6° |
| C32 | N34 | C35 | C36 | 142.1° | 177.6° |
| C32 | N34 | C35 | H352 | 97.6° | 57.7° |
| C32 | N34 | C35 | H351 | 21.8° | 62.5° |
| C32 | N34 | C39 | H392 | 21.3° | 62.5° |
| C32 | N34 | C39 | H391 | 98.2° | 57.7° |
| N34 | C39 | C38 | H392 | 120.2° | 119.9° |
| N34 | C39 | C38 | H391 | 120.2° | 120.0° |
| C39 | N34 | C35 | C36 | 52.0° | 58.6° |
| N34 | C39 | C38 | O37 | 53.6° | 56.8° |
| C39 | N34 | C35 | H352 | 68.3° | 178.5° |
| C39 | N34 | C35 | H351 | 172.3° | 61.3° |
| N34 | C39 | C38 | H382 | 66.8° | 63.1° |
| N34 | C39 | C38 | H381 | 174.1° | 176.8° |
| N34 | C39 | H392 | H391 | 119.3° | 120.2° |
| C35 | N34 | C39 | C38 | 52.6° | 58.6° |
| N34 | C35 | C36 | H352 | 120.3° | 119.9° |
| N34 | C35 | C36 | H351 | 120.3° | 120.0° |
| N34 | C35 | C36 | O37 | 52.2° | 56.9° |
| N34 | C35 | H352 | H351 | 119.2° | 120.2° |
| N34 | C35 | C36 | H362 | 172.8° | 176.8° |
| N34 | C35 | C36 | H361 | 68.3° | 63.1° |
| C35 | N34 | C39 | H392 | 172.9° | 61.2° |
| C35 | N34 | C39 | H391 | 67.6° | 178.6° |
| C39 | C38 | O37 | H382 | 120.4° | 119.9° |
| C39 | C38 | O37 | H381 | 120.5° | 120.0° |
| C39 | C38 | O37 | C36 | 54.1° | 58.7° |
| C39 | C38 | H382 | H381 | 118.6° | 120.1° |
| C38 | C39 | H392 | H391 | 119.3° | 120.1° |
| C35 | C36 | O37 | C38 | 53.5° | 58.7° |
| C35 | C36 | O37 | H362 | 120.5° | 120.0° |
| C35 | C36 | O37 | H361 | 120.5° | 119.9° |
| C36 | C35 | H352 | H351 | 119.2° | 120.1° |
| C35 | C36 | H362 | H361 | 118.4° | 120.1° |
| C38 | O37 | C36 | H362 | 174.0° | 178.6° |
| C38 | O37 | C36 | H361 | 67.0° | 61.2° |
| O37 | C38 | H382 | H381 | 118.5° | 120.1° |
| O37 | C38 | C39 | H392 | 173.9° | 63.1° |
| O37 | C38 | C39 | H391 | 66.6° | 176.8° |
| O37 | C36 | C35 | H352 | 68.0° | 176.8° |
| O37 | C36 | C35 | H351 | 172.5° | 63.1° |
| O37 | C36 | H362 | H361 | 118.4° | 120.1° |
| C36 | O37 | C38 | H382 | 66.3° | 61.3° |
| C36 | O37 | C38 | H381 | 174.6° | 178.7° |
| H131 | C13 | C14 | H141 | 0.5° | 0.0° |
| H171 | C17 | C16 | H161 | 0.5° | 0.0° |
| H241 | C24 | C23 | H231 | 1.0° | 0.2° |
| H261 | C26 | C27 | H271 | 1.1° | 0.3° |
| H012 | C01 | H013 | H011 | 120.0° | 120.0° |
| H032 | C03 | H033 | H031 | 120.0° | 120.0° |
| H041 | C04 | C05 | H052 | 167.1° | 61.3° |
| H041 | C04 | C05 | H051 | 48.5° | 178.6° |
| H041 | C04 | C09 | H091 | 129.6° | 178.5° |
| H041 | C04 | C09 | H092 | 10.5° | 61.3° |
| H052 | C05 | C06 | H062 | 139.2° | 54.8° |
| H052 | C05 | C06 | H061 | 22.0° | 65.6° |
| H051 | C05 | C06 | H062 | 20.7° | 174.8° |
| H051 | C05 | C06 | H061 | 96.5° | 54.4° |
| H082 | C08 | C09 | H091 | 60.9° | 54.4° |
| H082 | C08 | C09 | H092 | 58.3° | 65.6° |
| H081 | C08 | C09 | H091 | 58.9° | 174.7° |
| H081 | C08 | C09 | H092 | 178.0° | 54.7° |
| H352 | C35 | C36 | H362 | 52.5° | 63.3° |
| H352 | C35 | C36 | H361 | 171.4° | 56.8° |
| H351 | C35 | C36 | H362 | 67.0° | 56.8° |
| H351 | C35 | C36 | H361 | 52.0° | 176.9° |
| H382 | C38 | C39 | H392 | 53.4° | 177.0° |
| H382 | C38 | C39 | H391 | 172.9° | 56.8° |
| H381 | C38 | C39 | H392 | 65.7° | 56.9° |
| H381 | C38 | C39 | H391 | 53.9° | 63.2° |
| H411 | C41 | C42 | H421 | 34.8° | 63.3° |
| H411 | C41 | C42 | H422 | 152.5° | 56.9° |
| H412 | C41 | C42 | H421 | 82.8° | 56.8° |
| H412 | C41 | C42 | H422 | 34.8° | 176.9° |
| H441 | C44 | C45 | H451 | 68.3° | 176.9° |
| H441 | C44 | C45 | H452 | 51.3° | 56.8° |
| H442 | C44 | C45 | H451 | 172.4° | 56.8° |
| H442 | C44 | C45 | H452 | 68.0° | 63.3° |
