NKM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | O02 | sing | 1.43Å | 1.43Å | |
| N11 | C09 | sing | 1.35Å | 1.47Å | |
| O02 | C03 | sing | 1.43Å | 1.43Å | |
| O29 | C28 | doub | 1.21Å | 1.21Å | |
| N27 | C28 | sing | 1.33Å | 1.34Å | |
| N27 | C26 | sing | 1.47Å | 1.34Å | |
| C07 | C03 | sing | 1.54Å | 1.53Å | |
| C07 | C08 | sing | 1.53Å | 1.54Å | |
| C07 | O06 | sing | 1.44Å | 1.44Å | |
| C09 | C08 | sing | 1.51Å | 1.54Å | |
| C09 | O10 | doub | 1.21Å | 1.21Å | |
| O40 | C04 | sing | 1.43Å | 1.49Å | |
| C03 | C04 | sing | 1.55Å | 1.53Å | |
| C28 | C22 | sing | 1.51Å | 1.40Å | |
| C08 | O12 | sing | 1.43Å | 1.43Å | |
| C26 | C25 | sing | 1.53Å | 1.55Å | |
| O06 | C05 | sing | 1.44Å | 1.27Å | |
| C04 | C05 | sing | 1.55Å | 1.54Å | |
| C05 | N32 | sing | 1.47Å | 1.33Å | |
| C24 | C25 | sing | 1.52Å | 1.54Å | |
| C24 | C23 | sing | 1.52Å | 1.54Å | |
| O39 | C38 | doub | 1.22Å | 1.18Å | |
| C22 | N21 | sing | 1.46Å | 1.47Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| O12 | C13 | sing | 1.43Å | 1.43Å | |
| N21 | C19 | sing | 1.35Å | 1.34Å | |
| N32 | C38 | sing | 1.34Å | 1.35Å | |
| N32 | C33 | sing | 1.37Å | 1.34Å | |
| C13 | O18 | sing | 1.43Å | 1.30Å | |
| C13 | C14 | sing | 1.54Å | 1.55Å | |
| C38 | N37 | sing | 1.35Å | 1.34Å | |
| O18 | C17 | sing | 1.36Å | 1.29Å | |
| C33 | C34 | doub | 1.35Å | 1.34Å | |
| C19 | C17 | sing | 1.48Å | 1.40Å | |
| C19 | O20 | doub | 1.22Å | 1.21Å | |
| C17 | C16 | doub | 1.32Å | 1.40Å | |
| N37 | C35 | sing | 1.35Å | 1.34Å | |
| C14 | O31 | sing | 1.43Å | 1.43Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C34 | C35 | sing | 1.42Å | 1.39Å | |
| C35 | O36 | doub | 1.22Å | 1.19Å | |
| C16 | C15 | sing | 1.50Å | 1.39Å | |
| C15 | O30 | sing | 1.43Å | 1.43Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C16 | H2 | sing | 1.08Å | 1.08Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| C34 | H341 | sing | 1.08Å | 1.08Å | |
| N11 | H112 | sing | 0.97Å | 1.00Å | |
| N11 | H111 | sing | 0.97Å | 1.00Å | |
| N21 | H211 | sing | 0.97Å | 1.00Å | |
| N27 | H271 | sing | 0.97Å | 1.00Å | |
| N37 | H371 | sing | 0.97Å | 1.00Å | |
| O30 | H301 | sing | 0.97Å | 0.95Å | |
| O31 | H311 | sing | 0.97Å | 0.95Å | |
| O40 | H401 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | O02 | C03 | 119.1° | 114.0° |
| O02 | C01 | H013 | 109.5° | 109.5° |
| O02 | C01 | H012 | 109.5° | 109.5° |
| O02 | C01 | H011 | 109.5° | 109.5° |
| N11 | C09 | C08 | 120.1° | 120.0° |
| N11 | C09 | O10 | 120.1° | 120.0° |
| C09 | N11 | H112 | 120.0° | 120.0° |
| C09 | N11 | H111 | 120.0° | 120.0° |
| O02 | C03 | C07 | 110.2° | 110.6° |
| O02 | C03 | C04 | 112.0° | 110.5° |
| O02 | C03 | H031 | 111.5° | 110.5° |
| O29 | C28 | N27 | 118.8° | 119.9° |
| O29 | C28 | C22 | 119.6° | 119.9° |
| C28 | N27 | C26 | 121.5° | 120.5° |
| N27 | C28 | C22 | 121.6° | 120.2° |
| C28 | N27 | H271 | 119.3° | 119.7° |
| N27 | C26 | C25 | 113.4° | 108.6° |
| N27 | C26 | H261 | 108.5° | 109.6° |
| N27 | C26 | H262 | 108.5° | 109.7° |
| C26 | N27 | H271 | 119.2° | 119.8° |
| C03 | C07 | C08 | 110.6° | 110.4° |
| C03 | C07 | O06 | 107.3° | 104.8° |
| C07 | C03 | C04 | 102.8° | 104.1° |
| C07 | C03 | H031 | 110.0° | 110.5° |
| C03 | C07 | H071 | 109.4° | 110.4° |
| C08 | C07 | O06 | 109.5° | 110.3° |
| C07 | C08 | C09 | 108.5° | 109.5° |
| C07 | C08 | O12 | 109.7° | 109.5° |
| C08 | C07 | H071 | 109.3° | 110.4° |
| C07 | C08 | H081 | 109.4° | 109.5° |
| C07 | O06 | C05 | 112.5° | 105.2° |
| O06 | C07 | H071 | 110.7° | 110.5° |
| C08 | C09 | O10 | 119.8° | 120.0° |
| C09 | C08 | O12 | 108.8° | 109.4° |
| C09 | C08 | H081 | 109.4° | 109.5° |
| O40 | C04 | C03 | 110.7° | 110.5° |
| O40 | C04 | C05 | 110.4° | 110.5° |
| O40 | C04 | H041 | 110.9° | 110.6° |
| C04 | O40 | H401 | 109.5° | 114.0° |
| C03 | C04 | C05 | 104.4° | 104.0° |
| C04 | C03 | H031 | 110.0° | 110.5° |
| C03 | C04 | H041 | 110.2° | 110.5° |
| C28 | C22 | N21 | 108.6° | 109.6° |
| C28 | C22 | C23 | 108.5° | 108.5° |
| C28 | C22 | H221 | 110.5° | 109.8° |
| C08 | O12 | C13 | 112.8° | 114.0° |
| O12 | C08 | H081 | 111.0° | 109.4° |
| C26 | C25 | C24 | 113.5° | 110.9° |
| C25 | C26 | H261 | 108.5° | 109.6° |
| C25 | C26 | H262 | 108.5° | 109.7° |
| C26 | C25 | H251 | 108.5° | 109.2° |
| C26 | C25 | H252 | 108.5° | 109.2° |
| O06 | C05 | C04 | 109.8° | 104.8° |
| O06 | C05 | N32 | 108.4° | 110.4° |
| O06 | C05 | H051 | 110.7° | 110.5° |
| C04 | C05 | N32 | 111.1° | 110.3° |
| C05 | C04 | H041 | 110.1° | 110.5° |
| C04 | C05 | H051 | 106.9° | 110.4° |
| C05 | N32 | C38 | 120.9° | 119.7° |
| C05 | N32 | C33 | 119.1° | 119.6° |
| N32 | C05 | H051 | 109.9° | 110.3° |
| C25 | C24 | C23 | 111.1° | 113.8° |
| C25 | C24 | H242 | 109.0° | 108.6° |
| C25 | C24 | H241 | 109.1° | 108.6° |
| C24 | C25 | H251 | 108.5° | 109.2° |
| C24 | C25 | H252 | 108.5° | 109.2° |
| C24 | C23 | C22 | 110.9° | 110.8° |
| C23 | C24 | H242 | 109.1° | 108.6° |
| C23 | C24 | H241 | 109.1° | 108.6° |
| C24 | C23 | H232 | 109.1° | 109.2° |
| C24 | C23 | H231 | 109.1° | 109.2° |
| O39 | C38 | N32 | 120.4° | 119.6° |
| O39 | C38 | N37 | 119.0° | 119.5° |
| N21 | C22 | C23 | 111.0° | 109.6° |
| C22 | N21 | C19 | 120.6° | 120.0° |
| N21 | C22 | H221 | 109.6° | 109.6° |
| C22 | N21 | H211 | 119.7° | 120.0° |
| C23 | C22 | H221 | 108.6° | 109.6° |
| C22 | C23 | H232 | 109.1° | 109.2° |
| C22 | C23 | H231 | 109.1° | 109.3° |
| O12 | C13 | O18 | 108.0° | 109.7° |
| O12 | C13 | C14 | 106.7° | 109.7° |
| O12 | C13 | H131 | 109.1° | 109.7° |
| N21 | C19 | C17 | 119.7° | 120.0° |
| N21 | C19 | O20 | 120.7° | 120.0° |
| C19 | N21 | H211 | 119.7° | 120.0° |
| C38 | N32 | C33 | 120.1° | 120.7° |
| N32 | C38 | N37 | 120.6° | 121.0° |
| N32 | C33 | C34 | 120.7° | 119.6° |
| N32 | C33 | H331 | 119.7° | 120.2° |
| O18 | C13 | C14 | 114.2° | 108.3° |
| C13 | O18 | C17 | 115.1° | 117.5° |
| O18 | C13 | H131 | 111.1° | 109.7° |
| C13 | C14 | O31 | 109.0° | 109.7° |
| C13 | C14 | C15 | 111.1° | 108.2° |
| C14 | C13 | H131 | 107.6° | 109.7° |
| C13 | C14 | H141 | 108.6° | 109.7° |
| C38 | N37 | C35 | 120.1° | 120.2° |
| C38 | N37 | H371 | 120.0° | 119.8° |
| O18 | C17 | C19 | 120.3° | 118.4° |
| O18 | C17 | C16 | 119.2° | 123.1° |
| C33 | C34 | C35 | 119.2° | 119.1° |
| C34 | C33 | H331 | 119.7° | 120.1° |
| C33 | C34 | H341 | 120.4° | 120.4° |
| C17 | C19 | O20 | 119.6° | 120.0° |
| C19 | C17 | C16 | 120.5° | 118.5° |
| C17 | C16 | C15 | 116.4° | 122.3° |
| C17 | C16 | H2 | 121.8° | 118.8° |
| N37 | C35 | C34 | 119.4° | 119.4° |
| N37 | C35 | O36 | 121.3° | 120.3° |
| C35 | N37 | H371 | 120.0° | 119.9° |
| O31 | C14 | C15 | 109.2° | 109.8° |
| O31 | C14 | H141 | 110.2° | 109.7° |
| C14 | O31 | H311 | 109.5° | 114.0° |
| C14 | C15 | C16 | 107.3° | 109.5° |
| C14 | C15 | O30 | 109.4° | 109.5° |
| C14 | C15 | H151 | 108.7° | 109.4° |
| C15 | C14 | H141 | 108.7° | 109.8° |
| C34 | C35 | O36 | 119.4° | 120.3° |
| C35 | C34 | H341 | 120.4° | 120.4° |
| C16 | C15 | O30 | 110.5° | 109.5° |
| C16 | C15 | H151 | 110.7° | 109.5° |
| C15 | C16 | H2 | 121.8° | 118.9° |
| O30 | C15 | H151 | 110.2° | 109.5° |
| C15 | O30 | H301 | 109.5° | 114.0° |
| H242 | C24 | H241 | 109.5° | 108.4° |
| H261 | C26 | H262 | 109.5° | 109.6° |
| H013 | C01 | H012 | 109.5° | 109.6° |
| H013 | C01 | H011 | 109.5° | 109.5° |
| H012 | C01 | H011 | 109.5° | 109.4° |
| H232 | C23 | H231 | 109.5° | 109.1° |
| H251 | C25 | H252 | 109.5° | 109.2° |
| H112 | N11 | H111 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | O02 | C03 | C07 | 86.1° | 149.9° |
| C01 | O02 | C03 | C04 | 160.1° | 95.4° |
| O02 | C01 | H013 | H012 | 120.0° | 120.0° |
| O02 | C01 | H013 | H011 | 120.0° | 120.0° |
| O02 | C01 | H012 | H011 | 120.0° | 120.0° |
| C01 | O02 | C03 | H031 | 36.4° | 27.2° |
| N11 | C09 | C08 | C07 | 103.0° | 65.0° |
| N11 | C09 | C08 | O10 | 179.7° | 179.9° |
| N11 | C09 | C08 | O12 | 137.7° | 174.9° |
| N11 | C09 | C08 | H081 | 16.3° | 55.0° |
| C09 | N11 | H112 | H111 | 180.0° | 179.9° |
| O02 | C03 | C07 | C04 | 119.5° | 118.7° |
| O02 | C03 | C07 | H031 | 123.3° | 122.7° |
| O02 | C03 | C07 | C08 | 113.7° | 98.5° |
| O02 | C03 | C07 | O06 | 126.9° | 142.7° |
| O02 | C03 | C04 | O40 | 3.2° | 0.1° |
| O02 | C03 | C04 | H031 | 124.6° | 122.6° |
| O02 | C03 | C04 | C05 | 115.6° | 118.8° |
| C03 | O02 | C01 | H013 | 180.0° | 65.1° |
| C03 | O02 | C01 | H012 | 60.0° | 55.0° |
| C03 | O02 | C01 | H011 | 60.0° | 174.9° |
| O02 | C03 | C04 | H041 | 126.2° | 122.6° |
| O02 | C03 | C07 | H071 | 6.7° | 23.7° |
| O29 | C28 | N27 | C22 | 178.3° | 180.0° |
| O29 | C28 | N27 | C26 | 179.9° | 179.7° |
| O29 | C28 | C22 | N21 | 20.2° | 131.5° |
| O29 | C28 | C22 | C23 | 100.6° | 108.7° |
| O29 | C28 | C22 | H221 | 140.4° | 11.0° |
| O29 | C28 | N27 | H271 | 0.1° | 0.3° |
| C28 | N27 | C26 | H271 | 180.0° | 180.0° |
| C28 | N27 | C26 | C25 | 61.8° | 72.0° |
| N27 | C28 | C22 | N21 | 161.5° | 48.5° |
| N27 | C28 | C22 | C23 | 77.7° | 71.2° |
| N27 | C28 | C22 | H221 | 41.3° | 169.0° |
| C28 | N27 | C26 | H261 | 177.6° | 168.3° |
| C28 | N27 | C26 | H262 | 58.8° | 47.9° |
| C26 | N27 | C28 | C22 | 1.8° | 0.3° |
| N27 | C26 | C25 | H261 | 120.6° | 119.7° |
| N27 | C26 | C25 | H262 | 120.6° | 119.9° |
| N27 | C26 | C25 | C24 | 7.9° | 86.5° |
| N27 | C26 | H261 | H262 | 118.2° | 120.5° |
| N27 | C26 | C25 | H251 | 112.7° | 33.9° |
| N27 | C26 | C25 | H252 | 128.5° | 153.2° |
| C03 | C07 | C08 | O06 | 118.1° | 115.4° |
| C03 | C07 | C08 | H071 | 120.5° | 122.3° |
| C03 | C07 | O06 | H071 | 119.3° | 118.9° |
| C03 | C07 | C08 | C09 | 169.3° | 178.3° |
| C07 | C03 | C04 | O40 | 121.5° | 118.6° |
| C07 | C03 | C04 | H031 | 117.1° | 118.6° |
| C03 | C07 | C08 | O12 | 72.0° | 58.3° |
| C03 | C07 | O06 | C05 | 17.3° | 40.5° |
| C07 | C03 | C04 | C05 | 2.7° | 0.0° |
| C07 | C03 | C04 | H041 | 115.5° | 118.6° |
| C03 | C07 | C08 | H081 | 50.0° | 61.7° |
| C08 | C07 | O06 | H071 | 120.5° | 122.3° |
| C07 | C08 | C09 | O12 | 119.4° | 120.1° |
| C07 | C08 | C09 | H081 | 119.3° | 120.0° |
| C07 | C08 | C09 | O10 | 76.7° | 115.1° |
| C08 | C07 | C03 | C04 | 126.8° | 142.8° |
| C07 | C08 | O12 | H081 | 121.0° | 120.0° |
| C08 | C07 | O06 | C05 | 137.5° | 159.3° |
| C07 | C08 | O12 | C13 | 120.5° | 147.5° |
| C08 | C07 | C03 | H031 | 9.6° | 24.1° |
| O06 | C07 | C08 | C09 | 72.6° | 62.9° |
| O06 | C07 | C03 | C04 | 7.3° | 24.0° |
| O06 | C07 | C08 | O12 | 46.1° | 57.1° |
| C07 | O06 | C05 | C04 | 19.3° | 40.5° |
| C07 | O06 | C05 | N32 | 140.8° | 159.3° |
| O06 | C07 | C03 | H031 | 109.8° | 94.7° |
| C07 | O06 | C05 | H051 | 98.5° | 78.4° |
| O06 | C07 | C08 | H081 | 168.1° | 177.1° |
| C09 | C08 | O12 | H081 | 120.4° | 120.0° |
| C09 | C08 | O12 | C13 | 121.0° | 92.5° |
| C09 | C08 | C07 | H071 | 48.8° | 59.4° |
| C08 | C09 | N11 | H112 | 179.7° | 0.1° |
| C08 | C09 | N11 | H111 | 0.3° | 179.9° |
| O10 | C09 | C08 | O12 | 42.6° | 5.0° |
| O10 | C09 | C08 | H081 | 164.0° | 125.0° |
| O10 | C09 | N11 | H112 | 0.0° | 180.0° |
| O10 | C09 | N11 | H111 | 180.0° | 0.1° |
| O40 | C04 | C03 | C05 | 118.8° | 118.6° |
| O40 | C04 | C03 | H041 | 123.0° | 122.8° |
| O40 | C04 | C05 | O06 | 132.4° | 142.6° |
| O40 | C04 | C05 | H041 | 122.7° | 122.7° |
| O40 | C04 | C05 | N32 | 107.7° | 98.5° |
| O40 | C04 | C03 | H031 | 121.4° | 122.7° |
| O40 | C04 | C05 | H051 | 12.2° | 23.7° |
| C03 | C04 | C05 | O06 | 13.4° | 24.0° |
| C03 | C04 | C05 | H041 | 118.3° | 118.6° |
| C03 | C04 | C05 | N32 | 133.4° | 142.8° |
| C03 | C04 | C05 | H051 | 106.8° | 95.0° |
| C04 | C03 | C07 | H071 | 112.8° | 94.9° |
| C03 | C04 | O40 | H401 | 180.0° | 179.9° |
| C28 | C22 | C23 | C24 | 38.4° | 84.9° |
| C28 | C22 | N21 | C23 | 119.2° | 119.0° |
| C28 | C22 | N21 | H221 | 120.8° | 120.6° |
| C28 | C22 | C23 | H221 | 120.2° | 119.9° |
| C28 | C22 | N21 | C19 | 175.6° | 176.7° |
| C28 | C22 | C23 | H232 | 81.8° | 35.4° |
| C28 | C22 | C23 | H231 | 158.6° | 154.7° |
| C28 | C22 | N21 | H211 | 4.4° | 3.3° |
| C22 | C28 | N27 | H271 | 178.2° | 179.7° |
| C08 | O12 | C13 | O18 | 90.5° | 64.8° |
| C08 | O12 | C13 | C14 | 146.3° | 176.4° |
| C08 | O12 | C13 | H131 | 30.4° | 55.8° |
| O12 | C08 | C07 | H071 | 167.5° | 179.4° |
| C26 | C25 | C24 | H251 | 120.6° | 120.4° |
| C26 | C25 | C24 | H252 | 120.6° | 120.3° |
| C26 | C25 | C24 | C23 | 72.2° | 67.0° |
| C26 | C25 | C24 | H242 | 48.1° | 171.8° |
| C26 | C25 | C24 | H241 | 167.6° | 54.1° |
| C25 | C26 | H261 | H262 | 118.2° | 120.4° |
| C26 | C25 | H251 | H252 | 118.2° | 119.3° |
| C25 | C26 | N27 | H271 | 118.2° | 108.0° |
| O06 | C05 | C04 | N32 | 119.9° | 118.8° |
| O06 | C05 | C04 | H051 | 120.2° | 119.0° |
| O06 | C05 | N32 | H051 | 121.2° | 122.4° |
| O06 | C05 | N32 | C38 | 141.4° | 129.6° |
| O06 | C05 | N32 | C33 | 37.7° | 50.4° |
| O06 | C05 | C04 | H041 | 104.9° | 94.6° |
| C05 | O06 | C07 | H071 | 102.0° | 78.4° |
| C04 | C05 | N32 | H051 | 118.1° | 122.2° |
| C04 | C05 | N32 | C38 | 97.9° | 115.0° |
| C04 | C05 | N32 | C33 | 83.0° | 65.0° |
| C05 | C04 | C03 | H031 | 119.8° | 118.6° |
| C05 | C04 | O40 | H401 | 65.0° | 65.3° |
| C05 | N32 | C38 | O39 | 0.7° | 0.2° |
| C05 | N32 | C38 | C33 | 179.1° | 180.0° |
| C05 | N32 | C38 | N37 | 179.5° | 179.5° |
| C05 | N32 | C33 | C34 | 179.5° | 180.0° |
| N32 | C05 | C04 | H041 | 15.1° | 24.2° |
| C05 | N32 | C33 | H331 | 0.4° | 0.3° |
| C25 | C24 | C23 | H242 | 120.2° | 121.2° |
| C25 | C24 | C23 | H241 | 120.3° | 121.1° |
| C25 | C24 | C23 | C22 | 50.8° | 66.8° |
| C25 | C24 | H242 | H241 | 119.3° | 117.9° |
| C24 | C25 | C26 | H261 | 128.5° | 153.8° |
| C24 | C25 | C26 | H262 | 112.7° | 33.4° |
| C25 | C24 | C23 | H232 | 171.0° | 53.6° |
| C25 | C24 | C23 | H231 | 69.5° | 172.8° |
| C24 | C25 | H251 | H252 | 118.2° | 119.3° |
| C24 | C23 | C22 | N21 | 157.6° | 34.8° |
| C24 | C23 | C22 | H232 | 120.2° | 120.3° |
| C24 | C23 | C22 | H231 | 120.2° | 120.4° |
| C24 | C23 | C22 | H221 | 81.9° | 155.2° |
| C23 | C24 | H242 | H241 | 119.3° | 117.8° |
| C24 | C23 | H232 | H231 | 119.3° | 119.3° |
| C23 | C24 | C25 | H251 | 167.2° | 53.4° |
| C23 | C24 | C25 | H252 | 48.4° | 172.7° |
| O39 | C38 | N32 | N37 | 179.8° | 179.3° |
| O39 | C38 | N32 | C33 | 179.8° | 179.7° |
| O39 | C38 | N37 | C35 | 180.0° | 180.0° |
| O39 | C38 | N37 | H371 | 0.0° | 0.7° |
| N21 | C22 | C23 | H221 | 120.5° | 120.4° |
| C22 | N21 | C19 | H211 | 180.0° | 180.0° |
| C22 | N21 | C19 | C17 | 179.7° | 174.6° |
| C22 | N21 | C19 | O20 | 0.7° | 5.4° |
| N21 | C22 | C23 | H232 | 37.4° | 155.1° |
| N21 | C22 | C23 | H231 | 82.2° | 85.5° |
| C23 | C22 | N21 | C19 | 56.4° | 57.7° |
| C22 | C23 | C24 | H242 | 69.5° | 172.1° |
| C22 | C23 | C24 | H241 | 171.0° | 54.4° |
| C22 | C23 | H232 | H231 | 119.4° | 119.4° |
| C23 | C22 | N21 | H211 | 123.6° | 122.3° |
| O12 | C13 | O18 | C14 | 118.5° | 119.7° |
| O12 | C13 | O18 | H131 | 119.6° | 120.6° |
| O12 | C13 | C14 | H131 | 117.0° | 120.6° |
| O12 | C13 | O18 | C17 | 152.4° | 167.5° |
| O12 | C13 | C14 | O31 | 138.8° | 57.6° |
| O12 | C13 | C14 | C15 | 100.8° | 177.3° |
| C13 | O12 | C08 | H081 | 0.6° | 27.5° |
| O12 | C13 | C14 | H141 | 18.7° | 62.9° |
| N21 | C19 | C17 | O18 | 0.9° | 4.1° |
| N21 | C19 | C17 | O20 | 179.6° | 180.0° |
| N21 | C19 | C17 | C16 | 179.9° | 175.8° |
| C19 | N21 | C22 | H221 | 63.6° | 62.6° |
| C38 | N32 | C33 | C34 | 0.4° | 0.0° |
| N32 | C38 | N37 | C35 | 0.2° | 0.8° |
| C38 | N32 | C05 | H051 | 20.2° | 7.2° |
| C38 | N32 | C33 | H331 | 179.6° | 179.7° |
| N32 | C38 | N37 | H371 | 179.8° | 180.0° |
| C33 | N32 | C38 | N37 | 0.4° | 0.5° |
| N32 | C33 | C34 | H331 | 180.0° | 179.7° |
| N32 | C33 | C34 | C35 | 0.2° | 0.3° |
| C33 | N32 | C05 | H051 | 158.9° | 172.8° |
| N32 | C33 | C34 | H341 | 179.8° | 179.8° |
| O18 | C13 | C14 | H131 | 123.8° | 119.7° |
| C13 | O18 | C17 | C19 | 123.3° | 163.3° |
| C13 | O18 | C17 | C16 | 57.6° | 16.7° |
| O18 | C13 | C14 | O31 | 101.9° | 177.3° |
| O18 | C13 | C14 | C15 | 18.4° | 63.0° |
| O18 | C13 | C14 | H141 | 138.0° | 56.7° |
| C14 | C13 | O18 | C17 | 33.9° | 47.9° |
| C13 | C14 | O31 | C15 | 121.5° | 118.8° |
| C13 | C14 | O31 | H141 | 119.1° | 120.6° |
| C13 | C14 | C15 | H141 | 119.5° | 119.7° |
| C13 | C14 | C15 | C16 | 50.2° | 47.2° |
| C13 | C14 | C15 | O30 | 170.1° | 72.8° |
| C13 | C14 | C15 | H151 | 69.5° | 167.2° |
| C13 | C14 | O31 | H311 | 180.0° | 180.0° |
| C38 | N37 | C35 | H371 | 180.0° | 179.3° |
| C38 | N37 | C35 | C34 | 0.1° | 0.5° |
| C38 | N37 | C35 | O36 | 179.8° | 179.5° |
| O18 | C17 | C19 | C16 | 179.0° | 180.0° |
| O18 | C17 | C19 | O20 | 179.5° | 175.9° |
| O18 | C17 | C16 | C15 | 18.8° | 0.4° |
| C17 | O18 | C13 | H131 | 87.9° | 71.9° |
| O18 | C17 | C16 | H2 | 161.2° | 179.6° |
| C33 | C34 | C35 | N37 | 0.1° | 0.0° |
| C33 | C34 | C35 | H341 | 180.0° | 180.0° |
| C33 | C34 | C35 | O36 | 179.9° | 179.9° |
| C19 | C17 | C16 | C15 | 162.2° | 179.6° |
| C19 | C17 | C16 | H2 | 17.8° | 0.4° |
| C17 | C19 | N21 | H211 | 0.3° | 5.4° |
| O20 | C19 | C17 | C16 | 0.5° | 4.2° |
| O20 | C19 | N21 | H211 | 179.3° | 174.6° |
| C17 | C16 | C15 | C14 | 33.3° | 17.6° |
| C17 | C16 | C15 | H2 | 180.0° | 180.0° |
| C17 | C16 | C15 | O30 | 152.5° | 102.4° |
| C17 | C16 | C15 | H151 | 85.2° | 137.5° |
| N37 | C35 | C34 | O36 | 179.9° | 179.9° |
| N37 | C35 | C34 | H341 | 179.9° | 180.0° |
| O31 | C14 | C15 | H141 | 120.3° | 120.6° |
| O31 | C14 | C15 | C16 | 70.0° | 166.8° |
| O31 | C14 | C15 | O30 | 49.9° | 46.9° |
| O31 | C14 | C13 | H131 | 21.9° | 63.0° |
| O31 | C14 | C15 | H151 | 170.2° | 73.2° |
| C14 | C15 | C16 | O30 | 119.2° | 120.0° |
| C14 | C15 | C16 | H151 | 118.5° | 120.0° |
| C14 | C15 | O30 | H151 | 119.5° | 120.0° |
| C15 | C14 | C13 | H131 | 142.2° | 56.7° |
| C14 | C15 | C16 | H2 | 146.7° | 162.4° |
| C14 | C15 | O30 | H301 | 180.0° | 179.9° |
| C15 | C14 | O31 | H311 | 58.5° | 61.2° |
| C35 | C34 | C33 | H331 | 179.8° | 179.9° |
| C34 | C35 | N37 | H371 | 179.9° | 179.8° |
| O36 | C35 | C34 | H341 | 0.1° | 0.0° |
| O36 | C35 | N37 | H371 | 0.2° | 0.3° |
| C16 | C15 | O30 | H151 | 122.6° | 120.0° |
| C16 | C15 | C14 | H141 | 169.7° | 72.5° |
| C16 | C15 | O30 | H301 | 62.1° | 60.1° |
| O30 | C15 | C14 | H141 | 70.4° | 167.5° |
| O30 | C15 | C16 | H2 | 27.5° | 77.6° |
| H131 | C13 | C14 | H141 | 98.2° | 176.5° |
| H151 | C15 | C14 | H141 | 50.0° | 47.5° |
| H151 | C15 | C16 | H2 | 94.9° | 42.4° |
| H151 | C15 | O30 | H301 | 60.5° | 59.9° |
| H221 | C22 | C23 | H232 | 157.9° | 84.5° |
| H221 | C22 | C23 | H231 | 38.4° | 34.9° |
| H221 | C22 | N21 | H211 | 116.4° | 117.4° |
| H242 | C24 | C23 | H232 | 50.7° | 67.6° |
| H242 | C24 | C23 | H231 | 170.3° | 51.7° |
| H242 | C24 | C25 | H251 | 72.5° | 67.8° |
| H242 | C24 | C25 | H252 | 168.7° | 51.5° |
| H241 | C24 | C23 | H232 | 68.8° | 174.7° |
| H241 | C24 | C23 | H231 | 50.8° | 66.0° |
| H241 | C24 | C25 | H251 | 47.0° | 174.5° |
| H241 | C24 | C25 | H252 | 71.8° | 66.2° |
| H261 | C26 | C25 | H251 | 7.9° | 85.9° |
| H261 | C26 | C25 | H252 | 110.9° | 33.4° |
| H261 | C26 | N27 | H271 | 2.4° | 11.7° |
| H262 | C26 | C25 | H251 | 126.7° | 153.8° |
| H262 | C26 | C25 | H252 | 7.9° | 86.9° |
| H262 | C26 | N27 | H271 | 121.2° | 132.1° |
| H013 | C01 | H012 | H011 | 120.0° | 120.0° |
| H031 | C03 | C04 | H041 | 1.6° | 0.0° |
| H031 | C03 | C07 | H071 | 130.0° | 146.4° |
| H041 | C04 | C05 | H051 | 134.9° | 146.4° |
| H041 | C04 | O40 | H401 | 57.3° | 57.3° |
| H071 | C07 | C08 | H081 | 70.5° | 60.6° |
| H141 | C14 | O31 | H311 | 60.9° | 59.4° |
| H331 | C33 | C34 | H341 | 0.2° | 0.1° |
