WNK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O34 | C02 | sing | 1.36Å | 1.44Å | |
| O36 | S35 | doub | 1.42Å | 1.43Å | |
| C02 | C01 | doub | 1.39Å | 1.36Å | Aromatic |
| C02 | C03 | sing | 1.39Å | 1.37Å | Aromatic |
| C01 | C06 | sing | 1.38Å | 1.41Å | Aromatic |
| C03 | C04 | doub | 1.39Å | 1.41Å | Aromatic |
| S35 | O37 | doub | 1.42Å | 1.41Å | |
| S35 | N28 | sing | 1.66Å | 1.76Å | |
| S35 | C14 | sing | 1.76Å | 1.78Å | |
| C26 | C25 | sing | 1.53Å | 1.59Å | |
| C26 | C27 | sing | 1.53Å | 1.50Å | |
| N28 | C27 | sing | 1.46Å | 1.60Å | |
| C25 | N24 | sing | 1.46Å | 1.52Å | |
| C06 | C05 | doub | 1.38Å | 1.42Å | Aromatic |
| C04 | C05 | sing | 1.39Å | 1.41Å | Aromatic |
| C04 | C19 | sing | 1.48Å | 1.53Å | |
| C14 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.43Å | Aromatic |
| C13 | C18 | sing | 1.38Å | 1.41Å | Aromatic |
| C31 | C30 | sing | 1.53Å | 1.54Å | |
| C19 | N23 | doub | 1.32Å | 1.35Å | Aromatic |
| C19 | C20 | sing | 1.42Å | 1.50Å | Aromatic |
| N23 | N22 | sing | 1.40Å | 1.32Å | Aromatic |
| N24 | C10 | sing | 1.39Å | 1.46Å | |
| C15 | C16 | doub | 1.38Å | 1.43Å | Aromatic |
| C11 | C10 | doub | 1.39Å | 1.45Å | Aromatic |
| C11 | C12 | sing | 1.40Å | 1.42Å | Aromatic |
| C20 | C12 | sing | 1.48Å | 1.53Å | |
| C20 | C21 | doub | 1.36Å | 1.45Å | Aromatic |
| N22 | C30 | sing | 1.46Å | 1.51Å | |
| N22 | C21 | sing | 1.35Å | 1.41Å | Aromatic |
| C10 | N09 | sing | 1.32Å | 1.36Å | Aromatic |
| C18 | C17 | doub | 1.39Å | 1.36Å | Aromatic |
| C12 | C07 | doub | 1.40Å | 1.43Å | Aromatic |
| C30 | C32 | sing | 1.53Å | 1.56Å | |
| C30 | C33 | sing | 1.53Å | 1.54Å | |
| N09 | C08 | doub | 1.32Å | 1.37Å | Aromatic |
| C07 | C08 | sing | 1.38Å | 1.43Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.36Å | Aromatic |
| C17 | O29 | sing | 1.36Å | 1.43Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C01 | H011 | sing | 1.08Å | 1.08Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H313 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C32 | H323 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H333 | sing | 1.09Å | 1.10Å | |
| N24 | H241 | sing | 0.97Å | 1.00Å | |
| N28 | H281 | sing | 0.97Å | 1.00Å | |
| O29 | H291 | sing | 0.97Å | 0.95Å | |
| O34 | H341 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O34 | C02 | C01 | 118.3° | 120.0° |
| O34 | C02 | C03 | 114.7° | 120.0° |
| C02 | O34 | H341 | 109.5° | 114.0° |
| O36 | S35 | O37 | 109.2° | 123.2° |
| O36 | S35 | N28 | 113.9° | 106.4° |
| O36 | S35 | C14 | 108.3° | 106.4° |
| C01 | C02 | C03 | 126.9° | 120.0° |
| C02 | C01 | C06 | 115.3° | 120.2° |
| C02 | C01 | H011 | 122.3° | 119.9° |
| C02 | C03 | C04 | 119.2° | 119.8° |
| C02 | C03 | H031 | 120.4° | 120.1° |
| C01 | C06 | C05 | 120.4° | 120.2° |
| C06 | C01 | H011 | 122.4° | 119.9° |
| C01 | C06 | H061 | 119.8° | 119.9° |
| C03 | C04 | C05 | 116.6° | 119.8° |
| C03 | C04 | C19 | 120.0° | 120.1° |
| C04 | C03 | H031 | 120.4° | 120.1° |
| O37 | S35 | N28 | 107.1° | 106.4° |
| O37 | S35 | C14 | 106.2° | 106.4° |
| N28 | S35 | C14 | 111.8° | 107.2° |
| S35 | N28 | C27 | 130.9° | 120.0° |
| S35 | N28 | H281 | 103.8° | 120.0° |
| S35 | C14 | C13 | 122.4° | 119.9° |
| S35 | C14 | C15 | 124.0° | 119.9° |
| C25 | C26 | C27 | 112.3° | 109.5° |
| C26 | C25 | N24 | 111.6° | 109.5° |
| C26 | C25 | H252 | 109.0° | 109.4° |
| C26 | C25 | H251 | 109.0° | 109.5° |
| C25 | C26 | H261 | 108.8° | 109.5° |
| C25 | C26 | H262 | 108.8° | 109.5° |
| C26 | C27 | N28 | 116.5° | 109.5° |
| C27 | C26 | H261 | 108.7° | 109.5° |
| C27 | C26 | H262 | 108.7° | 109.4° |
| C26 | C27 | H272 | 107.7° | 109.5° |
| C26 | C27 | H271 | 107.7° | 109.5° |
| N28 | C27 | H272 | 107.7° | 109.5° |
| N28 | C27 | H271 | 107.7° | 109.4° |
| C27 | N28 | H281 | 103.9° | 120.0° |
| C25 | N24 | C10 | 121.4° | 120.0° |
| N24 | C25 | H252 | 108.9° | 109.5° |
| N24 | C25 | H251 | 108.9° | 109.5° |
| C25 | N24 | H241 | 106.4° | 120.0° |
| C06 | C05 | C04 | 121.6° | 120.0° |
| C06 | C05 | H051 | 119.2° | 120.0° |
| C05 | C06 | H061 | 119.8° | 119.9° |
| C05 | C04 | C19 | 123.4° | 120.1° |
| C04 | C05 | H051 | 119.1° | 120.0° |
| C04 | C19 | N23 | 118.7° | 126.1° |
| C04 | C19 | C20 | 131.2° | 126.1° |
| C13 | C14 | C15 | 113.6° | 120.2° |
| C14 | C13 | C18 | 124.5° | 120.1° |
| C14 | C13 | H131 | 117.7° | 120.0° |
| C14 | C15 | C16 | 123.5° | 120.0° |
| C14 | C15 | H151 | 118.2° | 120.0° |
| C13 | C18 | C17 | 117.3° | 119.9° |
| C18 | C13 | H131 | 117.7° | 119.9° |
| C13 | C18 | H181 | 121.4° | 120.1° |
| C31 | C30 | N22 | 108.0° | 109.5° |
| C31 | C30 | C32 | 109.7° | 109.4° |
| C31 | C30 | C33 | 108.5° | 109.5° |
| C30 | C31 | H311 | 109.5° | 109.4° |
| C30 | C31 | H313 | 109.5° | 109.4° |
| C30 | C31 | H312 | 109.5° | 109.5° |
| N23 | C19 | C20 | 110.2° | 107.8° |
| C19 | N23 | N22 | 109.3° | 108.4° |
| C19 | C20 | C12 | 133.1° | 126.3° |
| C19 | C20 | C21 | 101.2° | 107.4° |
| N23 | N22 | C30 | 122.8° | 125.8° |
| N23 | N22 | C21 | 111.6° | 108.5° |
| N24 | C10 | C11 | 118.5° | 119.6° |
| N24 | C10 | N09 | 121.1° | 119.6° |
| C10 | N24 | H241 | 106.4° | 120.0° |
| C15 | C16 | C17 | 116.6° | 119.9° |
| C16 | C15 | H151 | 118.2° | 120.0° |
| C15 | C16 | H161 | 121.7° | 120.0° |
| C10 | C11 | C12 | 122.3° | 118.9° |
| C11 | C10 | N09 | 120.3° | 120.8° |
| C10 | C11 | H111 | 118.9° | 120.5° |
| C11 | C12 | C20 | 122.5° | 120.8° |
| C11 | C12 | C07 | 115.7° | 118.3° |
| C12 | C11 | H111 | 118.9° | 120.5° |
| C12 | C20 | C21 | 125.7° | 126.3° |
| C20 | C12 | C07 | 121.9° | 120.9° |
| C20 | C21 | N22 | 107.8° | 107.9° |
| C20 | C21 | H211 | 126.1° | 126.1° |
| C30 | N22 | C21 | 125.7° | 125.8° |
| N22 | C30 | C32 | 111.1° | 109.5° |
| N22 | C30 | C33 | 108.9° | 109.5° |
| N22 | C21 | H211 | 126.1° | 126.1° |
| C10 | N09 | C08 | 118.4° | 121.9° |
| C18 | C17 | C16 | 124.4° | 119.9° |
| C18 | C17 | O29 | 118.0° | 120.0° |
| C17 | C18 | H181 | 121.4° | 120.0° |
| C12 | C07 | C08 | 119.4° | 119.2° |
| C12 | C07 | H071 | 120.3° | 120.4° |
| C32 | C30 | C33 | 110.6° | 109.5° |
| C30 | C32 | H322 | 109.5° | 109.4° |
| C30 | C32 | H323 | 109.5° | 109.5° |
| C30 | C32 | H321 | 109.5° | 109.5° |
| C30 | C33 | H332 | 109.5° | 109.5° |
| C30 | C33 | H331 | 109.5° | 109.5° |
| C30 | C33 | H333 | 109.5° | 109.4° |
| N09 | C08 | C07 | 124.0° | 121.0° |
| N09 | C08 | H081 | 118.0° | 119.6° |
| C08 | C07 | H071 | 120.3° | 120.4° |
| C07 | C08 | H081 | 118.0° | 119.5° |
| C16 | C17 | O29 | 117.6° | 120.0° |
| C17 | C16 | H161 | 121.7° | 120.1° |
| C17 | O29 | H291 | 109.5° | 114.0° |
| H252 | C25 | H251 | 109.5° | 109.4° |
| H261 | C26 | H262 | 109.5° | 109.5° |
| H272 | C27 | H271 | 109.5° | 109.5° |
| H311 | C31 | H313 | 109.5° | 109.5° |
| H311 | C31 | H312 | 109.4° | 109.5° |
| H313 | C31 | H312 | 109.5° | 109.5° |
| H322 | C32 | H323 | 109.5° | 109.5° |
| H322 | C32 | H321 | 109.4° | 109.5° |
| H323 | C32 | H321 | 109.4° | 109.5° |
| H332 | C33 | H331 | 109.4° | 109.5° |
| H332 | C33 | H333 | 109.5° | 109.5° |
| H331 | C33 | H333 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O34 | C02 | C01 | C03 | 179.2° | 180.0° |
| O34 | C02 | C01 | C06 | 179.5° | 179.9° |
| O34 | C02 | C03 | C04 | 179.5° | 180.0° |
| O34 | C02 | C01 | H011 | 0.5° | 0.3° |
| O34 | C02 | C03 | H031 | 0.5° | 0.0° |
| O36 | S35 | O37 | N28 | 123.8° | 123.0° |
| O36 | S35 | O37 | C14 | 116.6° | 122.9° |
| O36 | S35 | N28 | C14 | 123.2° | 113.5° |
| O36 | S35 | N28 | C27 | 98.5° | 48.5° |
| O36 | S35 | C14 | C13 | 55.1° | 156.5° |
| O36 | S35 | C14 | C15 | 121.9° | 23.5° |
| O36 | S35 | N28 | H281 | 138.7° | 131.4° |
| C02 | C01 | C06 | H011 | 180.0° | 179.7° |
| C01 | C02 | C03 | C04 | 1.3° | 0.0° |
| C02 | C01 | C06 | C05 | 0.1° | 0.0° |
| C01 | C02 | C03 | H031 | 178.7° | 180.0° |
| C02 | C01 | C06 | H061 | 179.9° | 179.7° |
| C01 | C02 | O34 | H341 | 180.0° | 90.0° |
| C03 | C02 | C01 | C06 | 0.4° | 0.0° |
| C02 | C03 | C04 | H031 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 1.9° | 0.1° |
| C02 | C03 | C04 | C19 | 178.9° | 180.0° |
| C03 | C02 | C01 | H011 | 179.6° | 179.7° |
| C03 | C02 | O34 | H341 | 0.7° | 90.0° |
| C01 | C06 | C05 | H061 | 180.0° | 179.7° |
| C01 | C06 | C05 | C04 | 0.8° | 0.0° |
| C01 | C06 | C05 | H051 | 179.2° | 179.9° |
| C03 | C04 | C05 | C06 | 1.7° | 0.0° |
| C03 | C04 | C05 | C19 | 176.9° | 179.9° |
| C03 | C04 | C19 | N23 | 78.1° | 34.9° |
| C03 | C04 | C19 | C20 | 101.0° | 145.2° |
| C03 | C04 | C05 | H051 | 178.3° | 180.0° |
| O37 | S35 | N28 | C14 | 116.0° | 113.5° |
| O37 | S35 | N28 | C27 | 140.6° | 178.6° |
| O37 | S35 | C14 | C13 | 172.4° | 23.6° |
| O37 | S35 | C14 | C15 | 4.7° | 156.5° |
| O37 | S35 | N28 | H281 | 17.9° | 1.5° |
| S35 | N28 | C27 | C26 | 95.9° | 165.0° |
| S35 | N28 | C27 | H281 | 122.8° | 179.9° |
| N28 | S35 | C14 | C13 | 71.1° | 90.0° |
| N28 | S35 | C14 | C15 | 111.8° | 90.0° |
| S35 | N28 | C27 | H272 | 143.1° | 45.0° |
| S35 | N28 | C27 | H271 | 25.2° | 75.1° |
| C14 | S35 | N28 | C27 | 24.6° | 65.0° |
| S35 | C14 | C13 | C15 | 177.3° | 180.0° |
| S35 | C14 | C13 | C18 | 179.5° | 180.0° |
| S35 | C14 | C15 | C16 | 179.5° | 180.0° |
| S35 | C14 | C13 | H131 | 0.5° | 0.2° |
| S35 | C14 | C15 | H151 | 0.5° | 0.2° |
| C14 | S35 | N28 | H281 | 98.1° | 115.0° |
| C25 | C26 | C27 | H261 | 120.4° | 120.0° |
| C25 | C26 | C27 | H262 | 120.4° | 120.0° |
| C25 | C26 | C27 | N28 | 131.2° | 180.0° |
| C26 | C25 | N24 | H252 | 120.3° | 120.0° |
| C26 | C25 | N24 | H251 | 120.3° | 120.0° |
| C26 | C25 | N24 | C10 | 83.9° | 180.0° |
| C26 | C25 | H252 | H251 | 119.1° | 120.0° |
| C25 | C26 | H261 | H262 | 118.7° | 120.0° |
| C25 | C26 | C27 | H272 | 107.8° | 60.0° |
| C25 | C26 | C27 | H271 | 10.2° | 60.1° |
| C26 | C25 | N24 | H241 | 154.5° | 0.0° |
| C26 | C27 | N28 | H272 | 121.0° | 120.0° |
| C26 | C27 | N28 | H271 | 121.0° | 119.9° |
| C27 | C26 | C25 | N24 | 44.3° | 180.0° |
| C27 | C26 | C25 | H252 | 164.6° | 60.0° |
| C27 | C26 | C25 | H251 | 76.0° | 60.0° |
| C27 | C26 | H261 | H262 | 118.7° | 120.0° |
| C26 | C27 | H272 | H271 | 116.8° | 120.0° |
| C26 | C27 | N28 | H281 | 141.4° | 14.9° |
| N28 | C27 | C26 | H261 | 10.8° | 60.0° |
| N28 | C27 | C26 | H262 | 108.4° | 60.0° |
| N28 | C27 | H272 | H271 | 116.8° | 120.0° |
| C25 | N24 | C10 | H241 | 121.6° | 180.0° |
| C25 | N24 | C10 | C11 | 76.4° | 0.2° |
| C25 | N24 | C10 | N09 | 101.8° | 180.0° |
| N24 | C25 | H252 | H251 | 119.0° | 120.0° |
| N24 | C25 | C26 | H261 | 164.7° | 60.0° |
| N24 | C25 | C26 | H262 | 76.1° | 60.0° |
| C06 | C05 | C04 | H051 | 180.0° | 179.9° |
| C06 | C05 | C04 | C19 | 178.6° | 179.9° |
| C05 | C06 | C01 | H011 | 179.9° | 179.7° |
| C05 | C04 | C19 | N23 | 98.7° | 145.0° |
| C05 | C04 | C19 | C20 | 82.3° | 34.9° |
| C05 | C04 | C03 | H031 | 178.1° | 179.9° |
| C04 | C05 | C06 | H061 | 179.2° | 179.7° |
| C04 | C19 | N23 | C20 | 179.2° | 179.9° |
| C04 | C19 | N23 | N22 | 179.2° | 180.0° |
| C04 | C19 | C20 | C12 | 0.4° | 0.2° |
| C04 | C19 | C20 | C21 | 179.2° | 179.8° |
| C19 | C04 | C03 | H031 | 1.1° | 0.0° |
| C19 | C04 | C05 | H051 | 1.4° | 0.1° |
| C14 | C13 | C18 | H131 | 180.0° | 179.8° |
| C13 | C14 | C15 | C16 | 2.2° | 0.0° |
| C14 | C13 | C18 | C17 | 1.4° | 0.2° |
| C13 | C14 | C15 | H151 | 177.8° | 179.8° |
| C14 | C13 | C18 | H181 | 178.6° | 179.8° |
| C15 | C14 | C13 | C18 | 2.2° | 0.0° |
| C14 | C15 | C16 | H151 | 180.0° | 179.8° |
| C14 | C15 | C16 | C17 | 1.4° | 0.2° |
| C15 | C14 | C13 | H131 | 177.8° | 179.7° |
| C14 | C15 | C16 | H161 | 178.6° | 179.8° |
| C13 | C18 | C17 | H181 | 180.0° | 180.0° |
| C13 | C18 | C17 | C16 | 0.5° | 0.5° |
| C13 | C18 | C17 | O29 | 179.2° | 180.0° |
| C31 | C30 | N22 | N23 | 31.1° | 14.8° |
| C31 | C30 | N22 | C32 | 120.3° | 120.0° |
| C31 | C30 | N22 | C33 | 117.6° | 120.0° |
| C31 | C30 | N22 | C21 | 149.7° | 165.0° |
| C31 | C30 | C32 | C33 | 119.6° | 120.0° |
| C30 | C31 | H311 | H313 | 120.0° | 119.9° |
| C30 | C31 | H311 | H312 | 120.0° | 120.0° |
| C30 | C31 | H313 | H312 | 120.0° | 120.0° |
| C31 | C30 | C32 | H322 | 180.0° | 180.0° |
| C31 | C30 | C32 | H323 | 60.0° | 60.0° |
| C31 | C30 | C32 | H321 | 60.0° | 60.0° |
| C31 | C30 | C33 | H332 | 180.0° | 60.0° |
| C31 | C30 | C33 | H331 | 60.0° | 60.0° |
| C31 | C30 | C33 | H333 | 60.0° | 180.0° |
| N23 | C19 | C20 | C12 | 179.5° | 179.9° |
| N23 | C19 | C20 | C21 | 0.1° | 0.2° |
| C19 | N23 | N22 | C30 | 179.4° | 179.8° |
| C19 | N23 | N22 | C21 | 0.1° | 0.0° |
| C20 | C19 | N23 | N22 | 0.0° | 0.1° |
| C19 | C20 | C12 | C11 | 8.6° | 130.3° |
| C19 | C20 | C12 | C21 | 179.5° | 179.6° |
| C19 | C20 | C21 | N22 | 0.1° | 0.2° |
| C19 | C20 | C12 | C07 | 172.0° | 49.7° |
| C19 | C20 | C21 | H211 | 179.9° | 179.7° |
| N23 | N22 | C21 | C20 | 0.1° | 0.2° |
| N23 | N22 | C30 | C21 | 179.2° | 179.8° |
| N23 | N22 | C30 | C32 | 151.4° | 105.2° |
| N23 | N22 | C30 | C33 | 86.5° | 134.8° |
| N23 | N22 | C21 | H211 | 179.9° | 179.8° |
| N24 | C10 | C11 | N09 | 178.2° | 179.7° |
| N24 | C10 | C11 | C12 | 178.7° | 179.7° |
| N24 | C10 | N09 | C08 | 178.7° | 179.8° |
| N24 | C10 | C11 | H111 | 1.3° | 0.3° |
| C10 | N24 | C25 | H252 | 36.4° | 60.0° |
| C10 | N24 | C25 | H251 | 155.8° | 60.0° |
| C15 | C16 | C17 | C18 | 0.5° | 0.5° |
| C15 | C16 | C17 | H161 | 180.0° | 180.0° |
| C15 | C16 | C17 | O29 | 179.3° | 180.0° |
| C10 | C11 | C12 | H111 | 180.0° | 180.0° |
| C10 | C11 | C12 | C20 | 179.4° | 180.0° |
| C10 | C11 | C12 | C07 | 0.1° | 0.0° |
| C11 | C10 | N09 | C08 | 0.6° | 0.0° |
| C11 | C10 | N24 | H241 | 162.0° | 179.7° |
| C11 | C12 | C20 | C07 | 179.4° | 180.0° |
| C11 | C12 | C20 | C21 | 171.9° | 50.1° |
| C12 | C11 | C10 | N09 | 0.5° | 0.0° |
| C11 | C12 | C07 | C08 | 0.3° | 0.0° |
| C11 | C12 | C07 | H071 | 179.8° | 180.0° |
| C12 | C20 | C21 | N22 | 179.5° | 179.9° |
| C20 | C12 | C07 | C08 | 179.7° | 180.0° |
| C12 | C20 | C21 | H211 | 0.5° | 0.0° |
| C20 | C12 | C11 | H111 | 0.7° | 0.0° |
| C20 | C12 | C07 | H071 | 0.3° | 0.0° |
| C20 | C21 | N22 | C30 | 179.4° | 180.0° |
| C20 | C21 | N22 | H211 | 180.0° | 180.0° |
| C21 | C20 | C12 | C07 | 7.5° | 129.9° |
| N22 | C30 | C32 | C33 | 121.0° | 120.0° |
| C30 | N22 | C21 | H211 | 0.6° | 0.0° |
| N22 | C30 | C31 | H311 | 180.0° | 60.0° |
| N22 | C30 | C31 | H313 | 60.0° | 60.0° |
| N22 | C30 | C31 | H312 | 60.0° | 180.0° |
| N22 | C30 | C32 | H322 | 60.7° | 60.0° |
| N22 | C30 | C32 | H323 | 179.3° | 60.0° |
| N22 | C30 | C32 | H321 | 59.4° | 180.0° |
| N22 | C30 | C33 | H332 | 62.7° | 180.0° |
| N22 | C30 | C33 | H331 | 57.3° | 60.0° |
| N22 | C30 | C33 | H333 | 177.3° | 60.0° |
| C21 | N22 | C30 | C32 | 29.4° | 75.0° |
| C21 | N22 | C30 | C33 | 92.6° | 45.0° |
| C10 | N09 | C08 | C07 | 0.3° | 0.0° |
| N09 | C10 | C11 | H111 | 179.4° | 180.0° |
| C10 | N09 | C08 | H081 | 179.7° | 180.0° |
| N09 | C10 | N24 | H241 | 19.9° | 0.0° |
| C18 | C17 | C16 | O29 | 178.8° | 179.5° |
| C17 | C18 | C13 | H131 | 178.6° | 180.0° |
| C18 | C17 | C16 | H161 | 179.5° | 179.5° |
| C18 | C17 | O29 | H291 | 180.0° | 89.5° |
| C12 | C07 | C08 | N09 | 0.2° | 0.0° |
| C12 | C07 | C08 | H071 | 180.0° | 180.0° |
| C07 | C12 | C11 | H111 | 179.9° | 180.0° |
| C12 | C07 | C08 | H081 | 179.8° | 180.0° |
| C32 | C30 | C31 | H311 | 58.8° | 60.0° |
| C32 | C30 | C31 | H313 | 178.8° | 180.0° |
| C32 | C30 | C31 | H312 | 61.2° | 60.0° |
| C30 | C32 | H322 | H323 | 120.0° | 120.0° |
| C30 | C32 | H322 | H321 | 120.0° | 120.0° |
| C30 | C32 | H323 | H321 | 120.0° | 120.0° |
| C32 | C30 | C33 | H332 | 59.7° | 60.0° |
| C32 | C30 | C33 | H331 | 179.7° | 180.0° |
| C32 | C30 | C33 | H333 | 60.3° | 60.0° |
| C33 | C30 | C31 | H311 | 62.2° | 180.0° |
| C33 | C30 | C31 | H313 | 57.8° | 60.0° |
| C33 | C30 | C31 | H312 | 177.8° | 60.0° |
| C33 | C30 | C32 | H322 | 60.4° | 60.0° |
| C33 | C30 | C32 | H323 | 59.6° | 180.0° |
| C33 | C30 | C32 | H321 | 179.6° | 60.0° |
| C30 | C33 | H332 | H331 | 120.0° | 120.0° |
| C30 | C33 | H332 | H333 | 120.0° | 120.0° |
| C30 | C33 | H331 | H333 | 120.0° | 120.0° |
| N09 | C08 | C07 | H081 | 180.0° | 180.0° |
| N09 | C08 | C07 | H071 | 179.8° | 180.0° |
| C17 | C16 | C15 | H151 | 178.6° | 180.0° |
| C16 | C17 | C18 | H181 | 179.5° | 179.5° |
| C16 | C17 | O29 | H291 | 1.1° | 90.1° |
| O29 | C17 | C16 | H161 | 0.7° | 0.0° |
| O29 | C17 | C18 | H181 | 0.8° | 0.0° |
| H131 | C13 | C18 | H181 | 1.4° | 0.0° |
| H151 | C15 | C16 | H161 | 1.4° | 0.1° |
| H011 | C01 | C06 | H061 | 0.1° | 0.0° |
| H051 | C05 | C06 | H061 | 0.8° | 0.2° |
| H071 | C07 | C08 | H081 | 0.1° | 0.0° |
| H252 | C25 | C26 | H261 | 75.0° | 60.0° |
| H252 | C25 | C26 | H262 | 44.2° | 179.9° |
| H252 | C25 | N24 | H241 | 85.2° | 120.0° |
| H251 | C25 | C26 | H261 | 44.4° | 179.9° |
| H251 | C25 | C26 | H262 | 163.6° | 60.0° |
| H251 | C25 | N24 | H241 | 34.1° | 120.0° |
| H261 | C26 | C27 | H272 | 131.8° | 180.0° |
| H261 | C26 | C27 | H271 | 110.3° | 59.9° |
| H262 | C26 | C27 | H272 | 12.6° | 60.0° |
| H262 | C26 | C27 | H271 | 130.6° | 180.0° |
| H272 | C27 | N28 | H281 | 20.3° | 135.0° |
| H271 | C27 | N28 | H281 | 97.6° | 105.0° |
| H311 | C31 | H313 | H312 | 119.9° | 120.1° |
| H322 | C32 | H323 | H321 | 120.0° | 120.0° |
| H332 | C33 | H331 | H333 | 120.0° | 120.0° |
