98D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | N02 | sing | 1.47Å | 1.48Å | |
| N02 | C03 | sing | 1.47Å | 1.48Å | |
| N02 | C36 | sing | 1.47Å | 1.48Å | |
| C03 | C04 | sing | 1.53Å | 1.55Å | |
| C36 | C35 | sing | 1.53Å | 1.54Å | |
| C23 | C24 | doub | 1.39Å | 1.43Å | Aromatic |
| C23 | C19 | sing | 1.38Å | 1.46Å | Aromatic |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C04 | N05 | sing | 1.47Å | 1.46Å | |
| C20 | C19 | sing | 1.51Å | 1.46Å | |
| C20 | O22 | sing | 1.43Å | 1.43Å | |
| C24 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | N18 | doub | 1.32Å | 1.34Å | Aromatic |
| C35 | N05 | sing | 1.47Å | 1.47Å | |
| N05 | C06 | sing | 1.40Å | 1.40Å | |
| C25 | C17 | doub | 1.39Å | 1.42Å | Aromatic |
| N18 | C17 | sing | 1.32Å | 1.36Å | Aromatic |
| C06 | C07 | doub | 1.39Å | 1.41Å | Aromatic |
| C06 | C34 | sing | 1.39Å | 1.41Å | Aromatic |
| C07 | C08 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | N16 | sing | 1.39Å | 1.35Å | |
| C28 | C27 | sing | 1.51Å | 1.45Å | |
| C28 | C29 | doub | 1.31Å | 1.34Å | |
| C34 | C33 | doub | 1.38Å | 1.40Å | Aromatic |
| C08 | C09 | doub | 1.39Å | 1.40Å | Aromatic |
| N16 | N26 | sing | 1.40Å | 1.32Å | |
| N16 | C15 | sing | 1.38Å | 1.34Å | |
| C27 | N26 | sing | 1.47Å | 1.41Å | |
| N26 | C30 | sing | 1.35Å | 1.34Å | |
| C33 | C09 | sing | 1.39Å | 1.41Å | Aromatic |
| C09 | N10 | sing | 1.40Å | 1.37Å | |
| N32 | C15 | doub | 1.32Å | 1.35Å | Aromatic |
| N32 | C11 | sing | 1.33Å | 1.37Å | Aromatic |
| C15 | C14 | sing | 1.41Å | 1.39Å | Aromatic |
| N10 | C11 | sing | 1.38Å | 1.35Å | |
| C30 | C14 | sing | 1.47Å | 1.38Å | |
| C30 | O31 | doub | 1.22Å | 1.25Å | |
| C11 | N12 | doub | 1.33Å | 1.36Å | Aromatic |
| C14 | C13 | doub | 1.39Å | 1.38Å | Aromatic |
| N12 | C13 | sing | 1.32Å | 1.37Å | Aromatic |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C21 | H213 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C28 | H281 | 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 | 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 | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| N10 | H101 | sing | 0.97Å | 1.00Å | |
| O22 | H221 | sing | 0.97Å | 0.95Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| C29 | H292 | sing | 1.08Å | 1.08Å | |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| C34 | H341 | 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 |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | N02 | C03 | 115.0° | 111.0° |
| C01 | N02 | C36 | 114.9° | 111.0° |
| N02 | C01 | H012 | 109.5° | 109.5° |
| N02 | C01 | H013 | 109.5° | 109.6° |
| N02 | C01 | H011 | 109.5° | 109.4° |
| C03 | N02 | C36 | 108.4° | 110.9° |
| N02 | C03 | C04 | 108.6° | 109.4° |
| N02 | C03 | H031 | 109.7° | 109.5° |
| N02 | C03 | H032 | 109.7° | 109.5° |
| N02 | C36 | C35 | 107.4° | 109.4° |
| N02 | C36 | H361 | 110.0° | 109.5° |
| N02 | C36 | H362 | 110.0° | 109.5° |
| C03 | C04 | N05 | 117.1° | 109.3° |
| C04 | C03 | H031 | 109.7° | 109.5° |
| C04 | C03 | H032 | 109.7° | 109.5° |
| C03 | C04 | H041 | 107.5° | 109.5° |
| C03 | C04 | H042 | 107.5° | 109.5° |
| C36 | C35 | N05 | 117.3° | 109.4° |
| C36 | C35 | H351 | 107.5° | 109.5° |
| C36 | C35 | H352 | 107.5° | 109.6° |
| C35 | C36 | H361 | 110.0° | 109.4° |
| C35 | C36 | H362 | 110.0° | 109.5° |
| C24 | C23 | C19 | 122.6° | 119.3° |
| C23 | C24 | C25 | 118.2° | 118.5° |
| C23 | C24 | H241 | 120.9° | 120.7° |
| C24 | C23 | H231 | 118.7° | 120.4° |
| C23 | C19 | C20 | 124.1° | 119.5° |
| C23 | C19 | N18 | 113.4° | 120.9° |
| C19 | C23 | H231 | 118.7° | 120.3° |
| C21 | C20 | C19 | 108.9° | 109.5° |
| C21 | C20 | O22 | 110.0° | 109.5° |
| C21 | C20 | H201 | 109.0° | 109.5° |
| C20 | C21 | H213 | 109.5° | 109.5° |
| C20 | C21 | H212 | 109.5° | 109.5° |
| C20 | C21 | H211 | 109.5° | 109.5° |
| C04 | N05 | C35 | 120.3° | 110.9° |
| C04 | N05 | C06 | 119.6° | 111.0° |
| N05 | C04 | H041 | 107.5° | 109.5° |
| N05 | C04 | H042 | 107.6° | 109.5° |
| C19 | C20 | O22 | 108.3° | 109.5° |
| C20 | C19 | N18 | 122.5° | 119.6° |
| C19 | C20 | H201 | 110.0° | 109.5° |
| O22 | C20 | H201 | 110.5° | 109.4° |
| C20 | O22 | H221 | 109.5° | 114.0° |
| C24 | C25 | C17 | 119.0° | 119.1° |
| C25 | C24 | H241 | 120.9° | 120.8° |
| C24 | C25 | H251 | 120.5° | 120.5° |
| C19 | N18 | C17 | 127.2° | 121.6° |
| C35 | N05 | C06 | 120.0° | 111.0° |
| N05 | C35 | H351 | 107.5° | 109.5° |
| N05 | C35 | H352 | 107.5° | 109.5° |
| N05 | C06 | C07 | 121.1° | 120.0° |
| N05 | C06 | C34 | 123.9° | 120.0° |
| C25 | C17 | N18 | 119.0° | 120.6° |
| C25 | C17 | N16 | 125.7° | 119.7° |
| C17 | C25 | H251 | 120.5° | 120.4° |
| N18 | C17 | N16 | 113.9° | 119.7° |
| C07 | C06 | C34 | 114.9° | 120.0° |
| C06 | C07 | C08 | 122.4° | 119.9° |
| C06 | C07 | H071 | 118.8° | 120.0° |
| C06 | C34 | C33 | 123.0° | 120.0° |
| C06 | C34 | H341 | 118.5° | 120.0° |
| C07 | C08 | C09 | 121.7° | 120.1° |
| C08 | C07 | H071 | 118.8° | 120.1° |
| C07 | C08 | H081 | 119.1° | 120.0° |
| C17 | N16 | N26 | 129.8° | 125.2° |
| C17 | N16 | C15 | 121.1° | 125.2° |
| C27 | C28 | C29 | 126.0° | 120.0° |
| C28 | C27 | N26 | 106.9° | 109.5° |
| C27 | C28 | H281 | 117.0° | 120.0° |
| C28 | C27 | H271 | 110.1° | 109.5° |
| C28 | C27 | H272 | 110.1° | 109.5° |
| C29 | C28 | H281 | 117.0° | 120.0° |
| C28 | C29 | H291 | 120.0° | 120.0° |
| C28 | C29 | H292 | 120.0° | 120.0° |
| C34 | C33 | C09 | 120.7° | 120.0° |
| C34 | C33 | H331 | 119.6° | 120.0° |
| C33 | C34 | H341 | 118.5° | 120.0° |
| C08 | C09 | C33 | 117.1° | 120.0° |
| C08 | C09 | N10 | 125.2° | 120.0° |
| C09 | C08 | H081 | 119.1° | 120.0° |
| N26 | N16 | C15 | 108.1° | 109.6° |
| N16 | N26 | C27 | 129.1° | 125.3° |
| N16 | N26 | C30 | 111.1° | 109.5° |
| N16 | C15 | N32 | 130.8° | 134.0° |
| N16 | C15 | C14 | 107.8° | 107.3° |
| C27 | N26 | C30 | 119.7° | 125.3° |
| N26 | C27 | H271 | 110.1° | 109.5° |
| N26 | C27 | H272 | 110.1° | 109.5° |
| N26 | C30 | C14 | 106.1° | 107.0° |
| N26 | C30 | O31 | 127.1° | 126.5° |
| C33 | C09 | N10 | 117.6° | 120.0° |
| C09 | C33 | H331 | 119.7° | 120.0° |
| C09 | N10 | C11 | 128.1° | 120.0° |
| C09 | N10 | H101 | 116.0° | 120.0° |
| C15 | N32 | C11 | 119.1° | 120.5° |
| N32 | C15 | C14 | 121.4° | 118.7° |
| N32 | C11 | N10 | 120.0° | 118.8° |
| N32 | C11 | N12 | 119.1° | 122.3° |
| C15 | C14 | C30 | 106.8° | 106.6° |
| C15 | C14 | C13 | 120.2° | 118.8° |
| N10 | C11 | N12 | 120.9° | 118.9° |
| C11 | N10 | H101 | 116.0° | 120.0° |
| C14 | C30 | O31 | 126.8° | 126.5° |
| C30 | C14 | C13 | 132.9° | 134.6° |
| C11 | N12 | C13 | 123.7° | 121.1° |
| C14 | C13 | N12 | 116.5° | 118.7° |
| C14 | C13 | H131 | 121.8° | 120.6° |
| N12 | C13 | H131 | 121.7° | 120.7° |
| H213 | C21 | H212 | 109.5° | 109.4° |
| H213 | C21 | H211 | 109.5° | 109.5° |
| H212 | C21 | H211 | 109.4° | 109.4° |
| H012 | C01 | H013 | 109.4° | 109.5° |
| H012 | C01 | H011 | 109.5° | 109.4° |
| H013 | C01 | H011 | 109.5° | 109.5° |
| H031 | C03 | H032 | 109.4° | 109.5° |
| H041 | C04 | H042 | 109.5° | 109.5° |
| H271 | C27 | H272 | 109.5° | 109.4° |
| H291 | C29 | H292 | 120.0° | 120.0° |
| H351 | C35 | H352 | 109.5° | 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 | N02 | C03 | C36 | 130.1° | 123.9° |
| C01 | N02 | C03 | C04 | 162.1° | 176.8° |
| C01 | N02 | C36 | C35 | 160.8° | 176.8° |
| N02 | C01 | H012 | H013 | 120.0° | 120.1° |
| N02 | C01 | H012 | H011 | 120.0° | 119.9° |
| N02 | C01 | H013 | H011 | 120.0° | 120.0° |
| C01 | N02 | C03 | H031 | 42.2° | 56.8° |
| C01 | N02 | C03 | H032 | 78.0° | 63.2° |
| C01 | N02 | C36 | H361 | 79.5° | 63.3° |
| C01 | N02 | C36 | H362 | 41.1° | 56.8° |
| N02 | C03 | C04 | H031 | 119.9° | 120.0° |
| N02 | C03 | C04 | H032 | 119.9° | 120.0° |
| C03 | N02 | C36 | C35 | 69.0° | 59.3° |
| N02 | C03 | C04 | N05 | 33.6° | 58.4° |
| C03 | N02 | C01 | H012 | 180.0° | 60.0° |
| C03 | N02 | C01 | H013 | 60.0° | 180.0° |
| C03 | N02 | C01 | H011 | 60.0° | 60.0° |
| N02 | C03 | H031 | H032 | 120.4° | 120.1° |
| N02 | C03 | C04 | H041 | 87.5° | 61.6° |
| N02 | C03 | C04 | H042 | 154.7° | 178.4° |
| C03 | N02 | C36 | H361 | 50.7° | 60.6° |
| C03 | N02 | C36 | H362 | 171.4° | 179.3° |
| C36 | N02 | C03 | C04 | 67.8° | 59.3° |
| N02 | C36 | C35 | H361 | 119.7° | 119.9° |
| N02 | C36 | C35 | H362 | 119.7° | 120.0° |
| N02 | C36 | C35 | N05 | 36.7° | 58.3° |
| C36 | N02 | C01 | H012 | 53.1° | 176.2° |
| C36 | N02 | C01 | H013 | 66.9° | 56.1° |
| C36 | N02 | C01 | H011 | 173.1° | 63.9° |
| C36 | N02 | C03 | H031 | 172.3° | 179.3° |
| C36 | N02 | C03 | H032 | 52.1° | 60.7° |
| N02 | C36 | C35 | H351 | 157.8° | 61.6° |
| N02 | C36 | C35 | H352 | 84.4° | 178.4° |
| N02 | C36 | H361 | H362 | 121.0° | 120.1° |
| C03 | C04 | N05 | H041 | 121.1° | 120.0° |
| C03 | C04 | N05 | H042 | 121.1° | 120.0° |
| C03 | C04 | N05 | C35 | 3.4° | 59.3° |
| C03 | C04 | N05 | C06 | 174.2° | 176.8° |
| C04 | C03 | H031 | H032 | 120.4° | 120.0° |
| C03 | C04 | H041 | H042 | 116.5° | 120.0° |
| C36 | C35 | N05 | C04 | 5.2° | 59.3° |
| C36 | C35 | N05 | H351 | 121.1° | 119.9° |
| C36 | C35 | N05 | H352 | 121.1° | 120.1° |
| C36 | C35 | N05 | C06 | 172.5° | 176.9° |
| C36 | C35 | H351 | H352 | 116.5° | 120.1° |
| C35 | C36 | H361 | H362 | 121.0° | 120.1° |
| C24 | C23 | C19 | H231 | 180.0° | 179.7° |
| C24 | C23 | C19 | C20 | 178.6° | 180.0° |
| C23 | C24 | C25 | H241 | 180.0° | 179.5° |
| C24 | C23 | C19 | N18 | 1.4° | 0.0° |
| C23 | C24 | C25 | C17 | 5.4° | 0.5° |
| C23 | C24 | C25 | H251 | 174.6° | 180.0° |
| C23 | C19 | C20 | C21 | 121.5° | 125.0° |
| C23 | C19 | C20 | N18 | 180.0° | 180.0° |
| C23 | C19 | C20 | O22 | 118.9° | 5.0° |
| C19 | C23 | C24 | C25 | 1.7° | 0.3° |
| C23 | C19 | N18 | C17 | 5.6° | 0.1° |
| C23 | C19 | C20 | H201 | 2.0° | 115.0° |
| C19 | C23 | C24 | H241 | 178.3° | 179.7° |
| C21 | C20 | C19 | O22 | 119.6° | 120.0° |
| C21 | C20 | C19 | H201 | 119.5° | 120.0° |
| C21 | C20 | O22 | H201 | 120.5° | 120.0° |
| C21 | C20 | C19 | N18 | 58.5° | 55.0° |
| C20 | C21 | H213 | H212 | 120.0° | 120.0° |
| C20 | C21 | H213 | H211 | 120.0° | 120.0° |
| C20 | C21 | H212 | H211 | 120.0° | 120.0° |
| C21 | C20 | O22 | H221 | 180.0° | 60.0° |
| C04 | N05 | C35 | C06 | 177.6° | 123.8° |
| C04 | N05 | C06 | C07 | 13.4° | 180.0° |
| C04 | N05 | C06 | C34 | 167.7° | 0.2° |
| N05 | C04 | C03 | H031 | 153.4° | 178.4° |
| N05 | C04 | C03 | H032 | 86.3° | 61.6° |
| N05 | C04 | H041 | H042 | 116.6° | 120.1° |
| C04 | N05 | C35 | H351 | 126.3° | 60.6° |
| C04 | N05 | C35 | H352 | 116.0° | 179.4° |
| C19 | C20 | O22 | H201 | 120.6° | 120.0° |
| C20 | C19 | N18 | C17 | 174.4° | 180.0° |
| C19 | C20 | C21 | H213 | 180.0° | 60.0° |
| C19 | C20 | C21 | H212 | 60.0° | 180.0° |
| C19 | C20 | C21 | H211 | 60.0° | 60.0° |
| C19 | C20 | O22 | H221 | 61.0° | 60.0° |
| C20 | C19 | C23 | H231 | 1.4° | 0.3° |
| O22 | C20 | C19 | N18 | 61.1° | 175.0° |
| O22 | C20 | C21 | H213 | 61.4° | 180.0° |
| O22 | C20 | C21 | H212 | 58.6° | 60.0° |
| O22 | C20 | C21 | H211 | 178.5° | 60.0° |
| C24 | C25 | C17 | H251 | 180.0° | 179.5° |
| C24 | C25 | C17 | N18 | 9.1° | 0.5° |
| C24 | C25 | C17 | N16 | 174.4° | 179.7° |
| C25 | C24 | C23 | H231 | 178.3° | 180.0° |
| C19 | N18 | C17 | C25 | 9.7° | 0.2° |
| C19 | N18 | C17 | N16 | 176.7° | 180.0° |
| N18 | C19 | C20 | H201 | 178.0° | 65.0° |
| N18 | C19 | C23 | H231 | 178.6° | 179.7° |
| C35 | N05 | C06 | C07 | 169.0° | 56.2° |
| C35 | N05 | C06 | C34 | 9.9° | 123.5° |
| C35 | N05 | C04 | H041 | 117.7° | 60.6° |
| C35 | N05 | C04 | H042 | 124.5° | 179.3° |
| N05 | C35 | H351 | H352 | 116.4° | 120.0° |
| N05 | C35 | C36 | H361 | 83.0° | 61.6° |
| N05 | C35 | C36 | H362 | 156.3° | 178.4° |
| N05 | C06 | C07 | C34 | 179.0° | 179.7° |
| N05 | C06 | C07 | C08 | 179.6° | 180.0° |
| N05 | C06 | C34 | C33 | 179.8° | 179.7° |
| C06 | N05 | C04 | H041 | 64.7° | 63.2° |
| C06 | N05 | C04 | H042 | 53.2° | 56.8° |
| N05 | C06 | C07 | H071 | 0.4° | 0.0° |
| N05 | C06 | C34 | H341 | 0.2° | 0.0° |
| C06 | N05 | C35 | H351 | 51.3° | 63.2° |
| C06 | N05 | C35 | H352 | 66.4° | 56.8° |
| C25 | C17 | N18 | N16 | 167.0° | 179.8° |
| C25 | C17 | N16 | N26 | 164.7° | 179.7° |
| C25 | C17 | N16 | C15 | 28.0° | 0.3° |
| C17 | C25 | C24 | H241 | 174.6° | 180.0° |
| N18 | C17 | N16 | N26 | 29.4° | 0.1° |
| N18 | C17 | N16 | C15 | 137.9° | 179.9° |
| N18 | C17 | C25 | H251 | 170.9° | 180.0° |
| C06 | C07 | C08 | H071 | 180.0° | 180.0° |
| C07 | C06 | C34 | C33 | 1.2° | 0.5° |
| C06 | C07 | C08 | C09 | 2.6° | 0.1° |
| C06 | C07 | C08 | H081 | 177.4° | 180.0° |
| C07 | C06 | C34 | H341 | 178.8° | 179.7° |
| C34 | C06 | C07 | C08 | 1.4° | 0.2° |
| C06 | C34 | C33 | H341 | 180.0° | 179.8° |
| C06 | C34 | C33 | C09 | 2.3° | 0.5° |
| C34 | C06 | C07 | H071 | 178.6° | 179.7° |
| C06 | C34 | C33 | H331 | 177.7° | 179.7° |
| C07 | C08 | C09 | H081 | 180.0° | 179.9° |
| C07 | C08 | C09 | C33 | 3.4° | 0.1° |
| C07 | C08 | C09 | N10 | 180.0° | 180.0° |
| C17 | N16 | N26 | C15 | 168.6° | 180.0° |
| C17 | N16 | N26 | C27 | 12.6° | 0.0° |
| C17 | N16 | N26 | C30 | 171.0° | 180.0° |
| C17 | N16 | C15 | N32 | 9.7° | 0.0° |
| C17 | N16 | C15 | C14 | 173.0° | 180.0° |
| N16 | C17 | C25 | H251 | 5.6° | 0.2° |
| C27 | C28 | C29 | H281 | 180.0° | 179.9° |
| C28 | C27 | N26 | N16 | 83.7° | 95.0° |
| C28 | C27 | N26 | H271 | 119.6° | 120.1° |
| C28 | C27 | N26 | H272 | 119.6° | 120.0° |
| C28 | C27 | N26 | C30 | 92.4° | 84.9° |
| C28 | C27 | H271 | H272 | 121.2° | 120.0° |
| C27 | C28 | C29 | H291 | 180.0° | 0.1° |
| C27 | C28 | C29 | H292 | 0.0° | 180.0° |
| C29 | C28 | C27 | N26 | 43.7° | 125.0° |
| C29 | C28 | C27 | H271 | 75.8° | 114.9° |
| C29 | C28 | C27 | H272 | 163.3° | 5.0° |
| C28 | C29 | H291 | H292 | 180.0° | 179.9° |
| C34 | C33 | C09 | C08 | 3.3° | 0.2° |
| C34 | C33 | C09 | H331 | 180.0° | 179.8° |
| C34 | C33 | C09 | N10 | 179.9° | 179.7° |
| C08 | C09 | C33 | N10 | 176.9° | 179.9° |
| C08 | C09 | N10 | C11 | 27.5° | 33.9° |
| C09 | C08 | C07 | H071 | 177.4° | 179.9° |
| C08 | C09 | N10 | H101 | 152.5° | 146.1° |
| C08 | C09 | C33 | H331 | 176.7° | 180.0° |
| N16 | N26 | C27 | C30 | 176.1° | 179.9° |
| N26 | N16 | C15 | N32 | 179.5° | 180.0° |
| N26 | N16 | C15 | C14 | 3.3° | 0.0° |
| N16 | N26 | C30 | C14 | 0.6° | 0.0° |
| N16 | N26 | C30 | O31 | 177.3° | 180.0° |
| N16 | N26 | C27 | H271 | 156.7° | 25.1° |
| N16 | N26 | C27 | H272 | 35.9° | 145.0° |
| C15 | N16 | N26 | C27 | 178.8° | 180.0° |
| C15 | N16 | N26 | C30 | 2.4° | 0.0° |
| N16 | C15 | N32 | C14 | 176.9° | 180.0° |
| N16 | C15 | N32 | C11 | 179.0° | 180.0° |
| N16 | C15 | C14 | C30 | 2.9° | 0.0° |
| N16 | C15 | C14 | C13 | 178.7° | 180.0° |
| C27 | N26 | C30 | C14 | 177.3° | 180.0° |
| C27 | N26 | C30 | O31 | 0.6° | 0.1° |
| N26 | C27 | C28 | H281 | 136.2° | 55.1° |
| N26 | C27 | H271 | H272 | 121.2° | 120.0° |
| N26 | C30 | C14 | C15 | 1.4° | 0.0° |
| N26 | C30 | C14 | O31 | 177.9° | 179.9° |
| N26 | C30 | C14 | C13 | 179.5° | 180.0° |
| C30 | N26 | C27 | H271 | 27.2° | 155.0° |
| C30 | N26 | C27 | H272 | 148.0° | 35.0° |
| C33 | C09 | N10 | C11 | 155.9° | 146.0° |
| C33 | C09 | C08 | H081 | 176.6° | 180.0° |
| C33 | C09 | N10 | H101 | 24.1° | 34.0° |
| C09 | C33 | C34 | H341 | 177.7° | 179.7° |
| C09 | N10 | C11 | N32 | 3.6° | 174.5° |
| C09 | N10 | C11 | H101 | 180.0° | 180.0° |
| C09 | N10 | C11 | N12 | 176.4° | 5.6° |
| N10 | C09 | C08 | H081 | 0.0° | 0.1° |
| N10 | C09 | C33 | H331 | 0.1° | 0.1° |
| C15 | N32 | C11 | N10 | 177.9° | 180.0° |
| N32 | C15 | C14 | C30 | 179.5° | 180.0° |
| C15 | N32 | C11 | N12 | 2.1° | 0.0° |
| N32 | C15 | C14 | C13 | 1.2° | 0.0° |
| C11 | N32 | C15 | C14 | 2.0° | 0.0° |
| N32 | C11 | N10 | N12 | 180.0° | 180.0° |
| N32 | C11 | N12 | C13 | 1.4° | 0.0° |
| N32 | C11 | N10 | H101 | 176.4° | 5.5° |
| C15 | C14 | C30 | C13 | 178.1° | 180.0° |
| C15 | C14 | C30 | O31 | 179.3° | 180.0° |
| C15 | C14 | C13 | N12 | 0.3° | 0.0° |
| C15 | C14 | C13 | H131 | 179.7° | 180.0° |
| N10 | C11 | N12 | C13 | 178.7° | 180.0° |
| C30 | C14 | C13 | N12 | 178.2° | 180.0° |
| C30 | C14 | C13 | H131 | 1.8° | 0.0° |
| O31 | C30 | C14 | C13 | 2.6° | 0.1° |
| C11 | N12 | C13 | C14 | 0.5° | 0.0° |
| C11 | N12 | C13 | H131 | 179.5° | 180.0° |
| N12 | C11 | N10 | H101 | 3.6° | 174.5° |
| C14 | C13 | N12 | H131 | 180.0° | 180.0° |
| H201 | C20 | C21 | H213 | 60.0° | 60.0° |
| H201 | C20 | C21 | H212 | 180.0° | 60.0° |
| H201 | C20 | C21 | H211 | 60.1° | 180.0° |
| H201 | C20 | O22 | H221 | 59.5° | 180.0° |
| H213 | C21 | H212 | H211 | 120.0° | 120.0° |
| H241 | C24 | C23 | H231 | 1.7° | 0.5° |
| H241 | C24 | C25 | H251 | 5.4° | 0.5° |
| H281 | C28 | C27 | H271 | 104.2° | 65.0° |
| H281 | C28 | C27 | H272 | 16.7° | 175.1° |
| H281 | C28 | C29 | H291 | 0.0° | 180.0° |
| H281 | C28 | C29 | H292 | 180.0° | 0.1° |
| H012 | C01 | H013 | H011 | 120.0° | 119.9° |
| H031 | C03 | C04 | H041 | 32.4° | 58.4° |
| H031 | C03 | C04 | H042 | 85.5° | 61.6° |
| H032 | C03 | C04 | H041 | 152.6° | 178.4° |
| H032 | C03 | C04 | H042 | 34.8° | 58.4° |
| H071 | C07 | C08 | H081 | 2.6° | 0.0° |
| H331 | C33 | C34 | H341 | 2.3° | 0.1° |
| H351 | C35 | C36 | H361 | 38.1° | 178.5° |
| H351 | C35 | C36 | H362 | 82.6° | 58.4° |
| H352 | C35 | C36 | H361 | 155.9° | 58.5° |
| H352 | C35 | C36 | H362 | 35.2° | 61.6° |
