XBC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O27 | C19 | doub | 1.21Å | 1.19Å | |
| C25 | C24 | sing | 1.53Å | 1.54Å | |
| C24 | C23 | sing | 1.53Å | 1.55Å | |
| C19 | N18 | sing | 1.35Å | 1.48Å | |
| C19 | C20 | sing | 1.51Å | 1.53Å | |
| N18 | C17 | sing | 1.47Å | 1.48Å | |
| C21 | C23 | sing | 1.53Å | 1.54Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C21 | O22 | sing | 1.43Å | 1.39Å | |
| C20 | C26 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.51Å | 1.55Å | |
| C16 | C15 | doub | 1.31Å | 1.35Å | |
| C15 | C14 | sing | 1.51Å | 1.55Å | |
| C14 | C12 | sing | 1.53Å | 1.54Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| O28 | C11 | sing | 1.43Å | 1.39Å | |
| C11 | C10 | sing | 1.53Å | 1.54Å | |
| C10 | C09 | sing | 1.53Å | 1.53Å | |
| C10 | C29 | sing | 1.53Å | 1.53Å | |
| O34 | C33 | sing | 1.37Å | 1.40Å | |
| C09 | C08 | sing | 1.53Å | 1.54Å | |
| C09 | O30 | sing | 1.45Å | 1.41Å | |
| O42 | C31 | doub | 1.23Å | 1.18Å | |
| C08 | C07 | sing | 1.51Å | 1.56Å | |
| C31 | O30 | sing | 1.34Å | 1.42Å | |
| C31 | C32 | sing | 1.47Å | 1.56Å | |
| C07 | C06 | doub | 1.31Å | 1.34Å | |
| C33 | C32 | doub | 1.41Å | 1.39Å | Aromatic |
| C33 | C35 | sing | 1.38Å | 1.40Å | Aromatic |
| C32 | C40 | sing | 1.39Å | 1.41Å | Aromatic |
| C35 | C36 | doub | 1.39Å | 1.40Å | Aromatic |
| C06 | C05 | sing | 1.51Å | 1.56Å | |
| C40 | C41 | sing | 1.51Å | 1.55Å | |
| C40 | C39 | doub | 1.36Å | 1.40Å | Aromatic |
| C36 | C39 | sing | 1.39Å | 1.40Å | Aromatic |
| C36 | O37 | sing | 1.36Å | 1.41Å | |
| C38 | O37 | sing | 1.43Å | 1.41Å | |
| C05 | C03 | sing | 1.54Å | 1.54Å | |
| C41 | C02 | sing | 1.52Å | 1.54Å | |
| C02 | C03 | sing | 1.53Å | 1.53Å | |
| C02 | O01 | sing | 1.45Å | 1.39Å | |
| C03 | C04 | sing | 1.53Å | 1.53Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H133 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H263 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.08Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C04 | H043 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.08Å | |
| C07 | H071 | sing | 1.09Å | 1.08Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.08Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H253 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H293 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.08Å | 1.08Å | |
| C38 | H383 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | sing | 1.08Å | 1.08Å | |
| C41 | H411 | sing | 1.08Å | 1.10Å | |
| C41 | H412 | sing | 1.10Å | 1.10Å | |
| N18 | H181 | sing | 0.97Å | 1.00Å | |
| O01 | H011 | sing | 0.97Å | 0.95Å | |
| O22 | H221 | sing | 0.97Å | 0.95Å | |
| O28 | H281 | 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) |
| O27 | C19 | N18 | 118.6° | 120.0° |
| O27 | C19 | C20 | 118.5° | 120.0° |
| C25 | C24 | C23 | 112.0° | 109.5° |
| C25 | C24 | H241 | 108.8° | 109.5° |
| C25 | C24 | H242 | 108.8° | 109.5° |
| C24 | C25 | H252 | 109.5° | 109.5° |
| C24 | C25 | H251 | 109.5° | 109.4° |
| C24 | C25 | H253 | 109.5° | 109.5° |
| C24 | C23 | C21 | 112.8° | 109.5° |
| C23 | C24 | H241 | 108.8° | 109.5° |
| C23 | C24 | H242 | 108.8° | 109.5° |
| C24 | C23 | H232 | 108.7° | 109.5° |
| C24 | C23 | H231 | 108.6° | 109.5° |
| N18 | C19 | C20 | 122.9° | 120.0° |
| C19 | N18 | C17 | 123.5° | 120.0° |
| C19 | N18 | H181 | 118.3° | 120.1° |
| C19 | C20 | C21 | 108.3° | 109.5° |
| C19 | C20 | C26 | 110.0° | 109.5° |
| C19 | C20 | H201 | 109.7° | 109.4° |
| N18 | C17 | C16 | 107.3° | 109.5° |
| N18 | C17 | H171 | 110.0° | 109.5° |
| N18 | C17 | H172 | 110.0° | 109.5° |
| C17 | N18 | H181 | 118.3° | 120.0° |
| C23 | C21 | C20 | 109.7° | 109.4° |
| C23 | C21 | O22 | 109.3° | 109.5° |
| C23 | C21 | H211 | 108.7° | 109.4° |
| C21 | C23 | H232 | 108.6° | 109.4° |
| C21 | C23 | H231 | 108.6° | 109.5° |
| C20 | C21 | O22 | 109.4° | 109.5° |
| C21 | C20 | C26 | 109.2° | 109.5° |
| C21 | C20 | H201 | 109.8° | 109.5° |
| C20 | C21 | H211 | 108.9° | 109.5° |
| O22 | C21 | H211 | 110.8° | 109.5° |
| C21 | O22 | H221 | 109.5° | 114.0° |
| C26 | C20 | H201 | 109.7° | 109.5° |
| C20 | C26 | H262 | 109.5° | 109.5° |
| C20 | C26 | H261 | 109.5° | 109.5° |
| C20 | C26 | H263 | 109.5° | 109.5° |
| C17 | C16 | C15 | 133.9° | 120.0° |
| C16 | C17 | H171 | 110.0° | 109.4° |
| C16 | C17 | H172 | 110.0° | 109.5° |
| C17 | C16 | H161 | 113.0° | 120.0° |
| C16 | C15 | C14 | 121.8° | 120.0° |
| C16 | C15 | H151 | 119.1° | 120.0° |
| C15 | C16 | H161 | 113.1° | 120.0° |
| C15 | C14 | C12 | 108.5° | 109.5° |
| C14 | C15 | H151 | 119.1° | 120.0° |
| C15 | C14 | H141 | 109.7° | 109.4° |
| C15 | C14 | H142 | 109.7° | 109.5° |
| C14 | C12 | C13 | 108.7° | 109.5° |
| C14 | C12 | C11 | 111.4° | 109.4° |
| C14 | C12 | H121 | 109.3° | 109.4° |
| C12 | C14 | H141 | 109.7° | 109.5° |
| C12 | C14 | H142 | 109.7° | 109.5° |
| C13 | C12 | C11 | 108.5° | 109.5° |
| C12 | C13 | H131 | 109.5° | 109.5° |
| C12 | C13 | H132 | 109.4° | 109.4° |
| C12 | C13 | H133 | 109.5° | 109.5° |
| C13 | C12 | H121 | 109.5° | 109.5° |
| C12 | C11 | O28 | 108.3° | 109.4° |
| C12 | C11 | C10 | 112.2° | 109.4° |
| C12 | C11 | H111 | 108.4° | 109.4° |
| C11 | C12 | H121 | 109.4° | 109.5° |
| O28 | C11 | C10 | 109.2° | 109.5° |
| O28 | C11 | H111 | 110.4° | 109.5° |
| C11 | O28 | H281 | 109.5° | 114.1° |
| C11 | C10 | C09 | 110.7° | 109.5° |
| C11 | C10 | C29 | 108.8° | 109.5° |
| C11 | C10 | H101 | 109.1° | 109.5° |
| C10 | C11 | H111 | 108.3° | 109.5° |
| C09 | C10 | C29 | 109.6° | 109.4° |
| C10 | C09 | C08 | 110.3° | 109.3° |
| C10 | C09 | O30 | 110.3° | 108.9° |
| C09 | C10 | H101 | 109.3° | 109.5° |
| C10 | C09 | H091 | 109.1° | 109.5° |
| C29 | C10 | H101 | 109.4° | 109.4° |
| C10 | C29 | H291 | 109.5° | 109.4° |
| C10 | C29 | H293 | 109.5° | 109.5° |
| C10 | C29 | H292 | 109.5° | 109.4° |
| O34 | C33 | C32 | 119.6° | 120.7° |
| O34 | C33 | C35 | 120.1° | 119.2° |
| C33 | O34 | H341 | 109.5° | 114.0° |
| C08 | C09 | O30 | 107.3° | 109.9° |
| C09 | C08 | C07 | 107.6° | 109.4° |
| C09 | C08 | H082 | 109.9° | 109.2° |
| C09 | C08 | H081 | 110.0° | 110.2° |
| C08 | C09 | H091 | 109.0° | 108.7° |
| C09 | O30 | C31 | 116.5° | 117.3° |
| O30 | C09 | H091 | 110.9° | 110.4° |
| O42 | C31 | O30 | 120.4° | 118.2° |
| O42 | C31 | C32 | 119.0° | 118.4° |
| C08 | C07 | C06 | 124.6° | 123.9° |
| C08 | C07 | H071 | 117.7° | 117.5° |
| C07 | C08 | H082 | 110.0° | 109.3° |
| C07 | C08 | H081 | 109.9° | 111.1° |
| O30 | C31 | C32 | 120.6° | 123.4° |
| C31 | C32 | C33 | 118.1° | 117.4° |
| C31 | C32 | C40 | 121.9° | 123.5° |
| C07 | C06 | C05 | 124.7° | 124.8° |
| C07 | C06 | H061 | 117.6° | 117.4° |
| C06 | C07 | H071 | 117.7° | 118.6° |
| C32 | C33 | C35 | 120.4° | 120.1° |
| C33 | C32 | C40 | 120.0° | 119.0° |
| C33 | C35 | C36 | 119.8° | 120.0° |
| C33 | C35 | H351 | 120.1° | 120.3° |
| C32 | C40 | C41 | 121.8° | 123.5° |
| C32 | C40 | C39 | 119.4° | 120.2° |
| C35 | C36 | C39 | 120.0° | 119.5° |
| C35 | C36 | O37 | 120.1° | 120.0° |
| C36 | C35 | H351 | 120.1° | 119.6° |
| C06 | C05 | C03 | 109.8° | 110.5° |
| C06 | C05 | H051 | 109.4° | 109.2° |
| C06 | C05 | H052 | 109.4° | 111.0° |
| C05 | C06 | H061 | 117.7° | 117.8° |
| C41 | C40 | C39 | 118.8° | 116.3° |
| C40 | C41 | C02 | 112.0° | 111.6° |
| C40 | C41 | H411 | 108.9° | 107.4° |
| C40 | C41 | H412 | 108.8° | 107.4° |
| C40 | C39 | C36 | 120.5° | 121.2° |
| C40 | C39 | H391 | 119.8° | 119.3° |
| C39 | C36 | O37 | 119.9° | 120.5° |
| C36 | C39 | H391 | 119.8° | 119.5° |
| C36 | O37 | C38 | 114.3° | 117.0° |
| O37 | C38 | H383 | 109.5° | 109.5° |
| O37 | C38 | H381 | 109.5° | 109.5° |
| O37 | C38 | H382 | 109.4° | 109.4° |
| C05 | C03 | C02 | 110.6° | 110.2° |
| C05 | C03 | C04 | 108.9° | 108.5° |
| C05 | C03 | H031 | 109.0° | 108.3° |
| C03 | C05 | H051 | 109.4° | 108.4° |
| C03 | C05 | H052 | 109.3° | 108.9° |
| C41 | C02 | C03 | 112.3° | 111.8° |
| C41 | C02 | O01 | 108.4° | 108.5° |
| C41 | C02 | H021 | 108.4° | 110.4° |
| C02 | C41 | H411 | 108.8° | 112.9° |
| C02 | C41 | H412 | 108.8° | 108.4° |
| C03 | C02 | O01 | 108.5° | 107.8° |
| C02 | C03 | C04 | 110.2° | 111.9° |
| C03 | C02 | H021 | 108.7° | 110.3° |
| C02 | C03 | H031 | 109.1° | 109.3° |
| O01 | C02 | H021 | 110.5° | 107.9° |
| C02 | O01 | H011 | 109.5° | 114.0° |
| C04 | C03 | H031 | 109.1° | 108.5° |
| C03 | C04 | H043 | 109.5° | 109.5° |
| C03 | C04 | H041 | 109.5° | 109.5° |
| C03 | C04 | H042 | 109.4° | 109.4° |
| H131 | C13 | H132 | 109.5° | 109.5° |
| H131 | C13 | H133 | 109.5° | 109.5° |
| H132 | C13 | H133 | 109.5° | 109.4° |
| H171 | C17 | H172 | 109.5° | 109.5° |
| H241 | C24 | H242 | 109.5° | 109.5° |
| H262 | C26 | H261 | 109.4° | 109.4° |
| H262 | C26 | H263 | 109.5° | 109.5° |
| H261 | C26 | H263 | 109.5° | 109.5° |
| H043 | C04 | H041 | 109.5° | 109.5° |
| H043 | C04 | H042 | 109.5° | 109.5° |
| H041 | C04 | H042 | 109.5° | 109.5° |
| H051 | C05 | H052 | 109.5° | 108.8° |
| H082 | C08 | H081 | 109.5° | 107.7° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H232 | C23 | H231 | 109.4° | 109.5° |
| H252 | C25 | H251 | 109.5° | 109.4° |
| H252 | C25 | H253 | 109.4° | 109.5° |
| H251 | C25 | H253 | 109.4° | 109.5° |
| H291 | C29 | H293 | 109.5° | 109.5° |
| H291 | C29 | H292 | 109.4° | 109.5° |
| H293 | C29 | H292 | 109.5° | 109.5° |
| H383 | C38 | H381 | 109.5° | 109.4° |
| H383 | C38 | H382 | 109.5° | 109.5° |
| H381 | C38 | H382 | 109.5° | 109.5° |
| H411 | C41 | H412 | 109.5° | 109.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O27 | C19 | N18 | C20 | 179.2° | 180.0° |
| O27 | C19 | N18 | C17 | 179.8° | 0.0° |
| O27 | C19 | C20 | C21 | 19.5° | 0.0° |
| O27 | C19 | C20 | C26 | 99.8° | 120.0° |
| O27 | C19 | C20 | H201 | 139.4° | 120.0° |
| O27 | C19 | N18 | H181 | 0.3° | 180.0° |
| C25 | C24 | C23 | H241 | 120.4° | 120.0° |
| C25 | C24 | C23 | H242 | 120.4° | 120.0° |
| C25 | C24 | C23 | C21 | 172.4° | 179.9° |
| C25 | C24 | H241 | H242 | 118.8° | 120.0° |
| C25 | C24 | C23 | H232 | 51.9° | 60.0° |
| C25 | C24 | C23 | H231 | 67.0° | 60.0° |
| C24 | C25 | H252 | H251 | 120.0° | 120.0° |
| C24 | C25 | H252 | H253 | 120.0° | 120.0° |
| C24 | C25 | H251 | H253 | 120.0° | 120.0° |
| C24 | C23 | C21 | H232 | 120.5° | 120.0° |
| C24 | C23 | C21 | H231 | 120.5° | 120.0° |
| C24 | C23 | C21 | C20 | 125.1° | 175.0° |
| C24 | C23 | C21 | O22 | 114.9° | 65.0° |
| C24 | C23 | C21 | H211 | 6.1° | 55.0° |
| C23 | C24 | H241 | H242 | 118.8° | 120.0° |
| C24 | C23 | H232 | H231 | 118.5° | 120.0° |
| C23 | C24 | C25 | H252 | 180.0° | 60.0° |
| C23 | C24 | C25 | H251 | 60.0° | 60.0° |
| C23 | C24 | C25 | H253 | 60.0° | 180.0° |
| C19 | N18 | C17 | H181 | 180.0° | 180.0° |
| N18 | C19 | C20 | C21 | 159.6° | 180.0° |
| N18 | C19 | C20 | C26 | 81.0° | 60.0° |
| C19 | N18 | C17 | C16 | 116.7° | 180.0° |
| C19 | N18 | C17 | H171 | 123.6° | 60.0° |
| C19 | N18 | C17 | H172 | 2.9° | 60.0° |
| N18 | C19 | C20 | H201 | 39.8° | 60.0° |
| C20 | C19 | N18 | C17 | 1.1° | 180.0° |
| C19 | C20 | C21 | C23 | 67.4° | 175.0° |
| C19 | C20 | C21 | C26 | 119.9° | 120.0° |
| C19 | C20 | C21 | H201 | 119.8° | 120.0° |
| C19 | C20 | C21 | O22 | 172.7° | 65.0° |
| C19 | C20 | C26 | H201 | 120.8° | 120.0° |
| C19 | C20 | C21 | H211 | 51.4° | 55.0° |
| C19 | C20 | C26 | H262 | 180.0° | 60.0° |
| C19 | C20 | C26 | H261 | 60.0° | 60.0° |
| C19 | C20 | C26 | H263 | 60.0° | 180.0° |
| C20 | C19 | N18 | H181 | 178.9° | 0.0° |
| N18 | C17 | C16 | H171 | 119.6° | 120.0° |
| N18 | C17 | C16 | H172 | 119.7° | 120.0° |
| N18 | C17 | C16 | C15 | 147.9° | 126.8° |
| N18 | C17 | H171 | H172 | 121.0° | 120.0° |
| N18 | C17 | C16 | H161 | 32.1° | 53.2° |
| C23 | C21 | C20 | O22 | 119.9° | 120.0° |
| C23 | C21 | C20 | H211 | 118.9° | 119.9° |
| C23 | C21 | O22 | H211 | 119.8° | 120.0° |
| C23 | C21 | C20 | C26 | 172.7° | 65.0° |
| C23 | C21 | C20 | H201 | 52.3° | 55.0° |
| C21 | C23 | C24 | H241 | 67.2° | 60.0° |
| C21 | C23 | C24 | H242 | 52.1° | 59.9° |
| C21 | C23 | H232 | H231 | 118.5° | 120.0° |
| C23 | C21 | O22 | H221 | 180.0° | 60.0° |
| C20 | C21 | O22 | H211 | 120.1° | 120.0° |
| C21 | C20 | C26 | H201 | 120.4° | 120.1° |
| C21 | C20 | C26 | H262 | 61.2° | 60.0° |
| C21 | C20 | C26 | H261 | 58.8° | 180.0° |
| C21 | C20 | C26 | H263 | 178.8° | 60.0° |
| C20 | C21 | C23 | H232 | 4.6° | 65.0° |
| C20 | C21 | C23 | H231 | 114.4° | 55.0° |
| C20 | C21 | O22 | H221 | 59.8° | 60.0° |
| O22 | C21 | C20 | C26 | 52.8° | 55.0° |
| O22 | C21 | C20 | H201 | 67.6° | 175.0° |
| O22 | C21 | C23 | H232 | 124.5° | 55.0° |
| O22 | C21 | C23 | H231 | 5.6° | 175.0° |
| C26 | C20 | C21 | H211 | 68.4° | 175.0° |
| C20 | C26 | H262 | H261 | 120.0° | 120.0° |
| C20 | C26 | H262 | H263 | 120.0° | 120.0° |
| C20 | C26 | H261 | H263 | 120.0° | 120.0° |
| C17 | C16 | C15 | H161 | 180.0° | 179.9° |
| C17 | C16 | C15 | C14 | 0.1° | 7.8° |
| C17 | C16 | C15 | H151 | 179.9° | 172.2° |
| C16 | C17 | H171 | H172 | 121.0° | 120.0° |
| C16 | C17 | N18 | H181 | 63.3° | 0.0° |
| C16 | C15 | C14 | H151 | 180.0° | 180.0° |
| C16 | C15 | C14 | C12 | 135.6° | 127.2° |
| C15 | C16 | C17 | H171 | 28.3° | 113.2° |
| C15 | C16 | C17 | H172 | 92.4° | 6.8° |
| C16 | C15 | C14 | H141 | 104.6° | 112.8° |
| C16 | C15 | C14 | H142 | 15.7° | 7.2° |
| C15 | C14 | C12 | H141 | 119.8° | 120.0° |
| C15 | C14 | C12 | H142 | 119.9° | 120.0° |
| C15 | C14 | C12 | C13 | 70.3° | 65.0° |
| C15 | C14 | C12 | C11 | 170.2° | 175.0° |
| C15 | C14 | C12 | H121 | 49.2° | 55.0° |
| C15 | C14 | H141 | H142 | 120.4° | 120.0° |
| C14 | C15 | C16 | H161 | 179.9° | 172.3° |
| C14 | C12 | C13 | C11 | 121.2° | 120.0° |
| C14 | C12 | C13 | H121 | 119.4° | 120.0° |
| C14 | C12 | C11 | H121 | 121.0° | 120.0° |
| C14 | C12 | C11 | O28 | 55.7° | 60.0° |
| C14 | C12 | C11 | C10 | 64.9° | 180.0° |
| C14 | C12 | C13 | H131 | 180.0° | 180.0° |
| C14 | C12 | C13 | H132 | 60.0° | 60.0° |
| C14 | C12 | C13 | H133 | 60.0° | 59.9° |
| C12 | C14 | C15 | H151 | 44.4° | 52.7° |
| C14 | C12 | C11 | H111 | 175.5° | 60.0° |
| C12 | C14 | H141 | H142 | 120.4° | 120.1° |
| C13 | C12 | C11 | H121 | 119.4° | 120.0° |
| C13 | C12 | C11 | O28 | 63.9° | 180.0° |
| C13 | C12 | C11 | C10 | 175.5° | 60.0° |
| C12 | C13 | H131 | H132 | 120.0° | 120.0° |
| C12 | C13 | H131 | H133 | 120.0° | 120.0° |
| C12 | C13 | H132 | H133 | 120.0° | 119.9° |
| C13 | C12 | C11 | H111 | 56.0° | 60.0° |
| C13 | C12 | C14 | H141 | 49.5° | 55.0° |
| C13 | C12 | C14 | H142 | 169.8° | 175.0° |
| C12 | C11 | O28 | C10 | 122.4° | 120.0° |
| C12 | C11 | O28 | H111 | 118.6° | 120.0° |
| C12 | C11 | C10 | H111 | 119.6° | 120.0° |
| C12 | C11 | C10 | C09 | 65.2° | 180.0° |
| C12 | C11 | C10 | C29 | 174.4° | 60.1° |
| C12 | C11 | C10 | H101 | 55.1° | 59.9° |
| C11 | C12 | C13 | H131 | 58.8° | 60.0° |
| C11 | C12 | C13 | H132 | 178.8° | 180.0° |
| C11 | C12 | C13 | H133 | 61.2° | 60.0° |
| C11 | C12 | C14 | H141 | 69.9° | 65.0° |
| C11 | C12 | C14 | H142 | 50.3° | 55.0° |
| C12 | C11 | O28 | H281 | 180.0° | 60.0° |
| O28 | C11 | C10 | H111 | 120.3° | 120.1° |
| O28 | C11 | C10 | C09 | 174.7° | 60.0° |
| O28 | C11 | C10 | C29 | 54.3° | 59.9° |
| O28 | C11 | C10 | H101 | 65.0° | 179.9° |
| O28 | C11 | C12 | H121 | 176.7° | 60.0° |
| C11 | C10 | C09 | C29 | 120.0° | 120.0° |
| C11 | C10 | C09 | H101 | 120.2° | 120.0° |
| C11 | C10 | C29 | H101 | 119.1° | 120.0° |
| C11 | C10 | C09 | C08 | 172.8° | 175.1° |
| C11 | C10 | C09 | O30 | 68.9° | 64.8° |
| C11 | C10 | C09 | H091 | 53.1° | 56.1° |
| C10 | C11 | C12 | H121 | 56.1° | 60.0° |
| C11 | C10 | C29 | H291 | 180.0° | 180.0° |
| C11 | C10 | C29 | H293 | 60.0° | 59.9° |
| C11 | C10 | C29 | H292 | 60.0° | 60.0° |
| C10 | C11 | O28 | H281 | 57.6° | 60.0° |
| C09 | C10 | C29 | H101 | 119.8° | 120.0° |
| C10 | C09 | C08 | O30 | 120.1° | 119.5° |
| C10 | C09 | C08 | H091 | 119.8° | 119.5° |
| C10 | C09 | O30 | H091 | 121.0° | 120.3° |
| C10 | C09 | C08 | C07 | 173.6° | 174.2° |
| C10 | C09 | O30 | C31 | 108.7° | 126.3° |
| C10 | C09 | C08 | H082 | 53.9° | 66.3° |
| C10 | C09 | C08 | H081 | 66.7° | 51.8° |
| C09 | C10 | C11 | H111 | 54.5° | 60.0° |
| C09 | C10 | C29 | H291 | 58.9° | 60.0° |
| C09 | C10 | C29 | H293 | 61.1° | 60.1° |
| C09 | C10 | C29 | H292 | 178.9° | 180.0° |
| C29 | C10 | C09 | C08 | 67.2° | 65.0° |
| C29 | C10 | C09 | O30 | 51.1° | 55.2° |
| C29 | C10 | C09 | H091 | 173.1° | 176.1° |
| C29 | C10 | C11 | H111 | 66.0° | 180.0° |
| C10 | C29 | H291 | H293 | 120.0° | 120.0° |
| C10 | C29 | H291 | H292 | 120.0° | 119.9° |
| C10 | C29 | H293 | H292 | 120.0° | 119.9° |
| O34 | C33 | C32 | C31 | 0.5° | 0.1° |
| O34 | C33 | C32 | C35 | 179.7° | 180.0° |
| O34 | C33 | C32 | C40 | 179.8° | 178.5° |
| O34 | C33 | C35 | C36 | 179.9° | 179.6° |
| O34 | C33 | C35 | H351 | 0.1° | 0.7° |
| C08 | C09 | O30 | H091 | 118.9° | 120.0° |
| C09 | C08 | C07 | H082 | 119.7° | 119.4° |
| C09 | C08 | C07 | H081 | 119.7° | 121.8° |
| C08 | C09 | O30 | C31 | 131.1° | 114.0° |
| C09 | C08 | C07 | C06 | 96.1° | 121.2° |
| C08 | C09 | C10 | H101 | 52.6° | 55.0° |
| C09 | C08 | C07 | H071 | 83.9° | 59.6° |
| C09 | C08 | H082 | H081 | 120.9° | 119.6° |
| C09 | O30 | C31 | O42 | 28.6° | 4.9° |
| O30 | C09 | C08 | C07 | 53.5° | 54.7° |
| C09 | O30 | C31 | C32 | 151.3° | 176.7° |
| O30 | C09 | C10 | H101 | 170.9° | 175.2° |
| O30 | C09 | C08 | H082 | 66.2° | 174.2° |
| O30 | C09 | C08 | H081 | 173.2° | 67.7° |
| O42 | C31 | O30 | C32 | 179.9° | 178.4° |
| O42 | C31 | C32 | C33 | 35.5° | 30.2° |
| O42 | C31 | C32 | C40 | 143.8° | 151.5° |
| C08 | C07 | C06 | H071 | 180.0° | 179.2° |
| C08 | C07 | C06 | C05 | 1.0° | 2.8° |
| C08 | C07 | C06 | H061 | 179.0° | 176.4° |
| C07 | C08 | H082 | H081 | 120.9° | 120.8° |
| C07 | C08 | C09 | H091 | 66.6° | 66.3° |
| O30 | C31 | C32 | C33 | 144.4° | 151.4° |
| O30 | C31 | C32 | C40 | 36.3° | 26.9° |
| C31 | O30 | C09 | H091 | 12.2° | 6.0° |
| C31 | C32 | C33 | C40 | 179.3° | 178.4° |
| C31 | C32 | C33 | C35 | 179.8° | 179.8° |
| C31 | C32 | C40 | C41 | 0.3° | 0.9° |
| C31 | C32 | C40 | C39 | 179.8° | 179.8° |
| C07 | C06 | C05 | H061 | 180.0° | 179.3° |
| C07 | C06 | C05 | C03 | 144.2° | 88.5° |
| C07 | C06 | C05 | H051 | 24.1° | 152.5° |
| C07 | C06 | C05 | H052 | 95.8° | 32.5° |
| C06 | C07 | C08 | H082 | 23.6° | 119.4° |
| C06 | C07 | C08 | H081 | 144.2° | 0.6° |
| C32 | C33 | C35 | C36 | 0.2° | 0.4° |
| C33 | C32 | C40 | C41 | 179.6° | 177.4° |
| C33 | C32 | C40 | C39 | 0.5° | 1.9° |
| C32 | C33 | C35 | H351 | 179.7° | 179.3° |
| C32 | C33 | O34 | H341 | 13.6° | 90.0° |
| C35 | C33 | C32 | C40 | 0.5° | 1.5° |
| C33 | C35 | C36 | H351 | 180.0° | 178.9° |
| C33 | C35 | C36 | C39 | 0.0° | 0.2° |
| C33 | C35 | C36 | O37 | 179.9° | 179.6° |
| C35 | C33 | O34 | H341 | 166.7° | 89.9° |
| C32 | C40 | C41 | C39 | 179.8° | 179.3° |
| C32 | C40 | C39 | C36 | 0.4° | 1.3° |
| C32 | C40 | C41 | C02 | 73.1° | 55.3° |
| C32 | C40 | C39 | H391 | 179.6° | 178.7° |
| C32 | C40 | C41 | H411 | 166.5° | 68.9° |
| C32 | C40 | C41 | H412 | 47.2° | 173.9° |
| C35 | C36 | C39 | C40 | 0.1° | 0.2° |
| C35 | C36 | C39 | O37 | 179.9° | 179.9° |
| C35 | C36 | O37 | C38 | 45.6° | 0.1° |
| C35 | C36 | C39 | H391 | 179.9° | 179.8° |
| C06 | C05 | C03 | H051 | 120.0° | 119.6° |
| C06 | C05 | C03 | H052 | 120.1° | 122.2° |
| C06 | C05 | C03 | C02 | 66.5° | 2.0° |
| C06 | C05 | C03 | C04 | 172.3° | 120.8° |
| C06 | C05 | C03 | H031 | 53.5° | 121.6° |
| C06 | C05 | H051 | H052 | 119.9° | 121.3° |
| C05 | C06 | C07 | H071 | 179.0° | 178.0° |
| C41 | C40 | C39 | C36 | 179.8° | 178.1° |
| C40 | C41 | C02 | H411 | 120.4° | 121.0° |
| C40 | C41 | C02 | H412 | 120.4° | 118.1° |
| C40 | C41 | C02 | C03 | 170.7° | 174.3° |
| C40 | C41 | C02 | O01 | 69.4° | 67.0° |
| C40 | C41 | C02 | H021 | 50.6° | 51.0° |
| C41 | C40 | C39 | H391 | 0.2° | 2.0° |
| C40 | C41 | H411 | H412 | 118.9° | 116.1° |
| C40 | C39 | C36 | H391 | 180.0° | 180.0° |
| C40 | C39 | C36 | O37 | 179.8° | 180.0° |
| C39 | C40 | C41 | C02 | 107.1° | 125.4° |
| C39 | C40 | C41 | H411 | 13.3° | 110.4° |
| C39 | C40 | C41 | H412 | 132.6° | 6.8° |
| C39 | C36 | O37 | C38 | 134.5° | 179.9° |
| C39 | C36 | C35 | H351 | 179.9° | 178.7° |
| O37 | C36 | C35 | H351 | 0.1° | 1.4° |
| C36 | O37 | C38 | H383 | 180.0° | 60.0° |
| C36 | O37 | C38 | H381 | 60.0° | 59.9° |
| C36 | O37 | C38 | H382 | 60.0° | 180.0° |
| O37 | C36 | C39 | H391 | 0.2° | 0.1° |
| O37 | C38 | H383 | H381 | 120.0° | 120.0° |
| O37 | C38 | H383 | H382 | 120.0° | 120.0° |
| O37 | C38 | H381 | H382 | 120.0° | 120.0° |
| C05 | C03 | C02 | C41 | 71.6° | 157.7° |
| C05 | C03 | C02 | C04 | 120.4° | 120.8° |
| C05 | C03 | C02 | H031 | 119.9° | 119.0° |
| C05 | C03 | C02 | O01 | 168.6° | 83.1° |
| C05 | C03 | C04 | H031 | 118.8° | 117.5° |
| C05 | C03 | C02 | H021 | 48.4° | 34.4° |
| C05 | C03 | C04 | H043 | 180.0° | 61.8° |
| C05 | C03 | C04 | H041 | 60.0° | 58.2° |
| C05 | C03 | C04 | H042 | 60.0° | 178.2° |
| C03 | C05 | H051 | H052 | 119.8° | 118.3° |
| C03 | C05 | C06 | H061 | 35.8° | 92.3° |
| C41 | C02 | C03 | O01 | 119.8° | 119.1° |
| C41 | C02 | C03 | H021 | 120.0° | 123.3° |
| C41 | C02 | O01 | H021 | 118.7° | 119.6° |
| C41 | C02 | C03 | C04 | 48.8° | 37.0° |
| C41 | C02 | C03 | H031 | 168.6° | 83.3° |
| C02 | C41 | H411 | H412 | 118.8° | 120.5° |
| C41 | C02 | O01 | H011 | 180.0° | 58.7° |
| C03 | C02 | O01 | H021 | 119.0° | 119.1° |
| C02 | C03 | C04 | H031 | 119.7° | 120.7° |
| C02 | C03 | C04 | H043 | 58.5° | 60.0° |
| C02 | C03 | C04 | H041 | 61.5° | 180.0° |
| C02 | C03 | C04 | H042 | 178.5° | 60.0° |
| C02 | C03 | C05 | H051 | 53.6° | 117.6° |
| C02 | C03 | C05 | H052 | 173.5° | 124.2° |
| C03 | C02 | C41 | H411 | 68.9° | 53.2° |
| C03 | C02 | C41 | H412 | 50.4° | 67.6° |
| C03 | C02 | O01 | H011 | 57.8° | 180.0° |
| O01 | C02 | C03 | C04 | 71.0° | 156.1° |
| O01 | C02 | C03 | H031 | 48.7° | 35.8° |
| O01 | C02 | C41 | H411 | 51.0° | 172.0° |
| O01 | C02 | C41 | H412 | 170.2° | 51.1° |
| C04 | C03 | C02 | H021 | 168.8° | 86.4° |
| C03 | C04 | H043 | H041 | 120.0° | 120.0° |
| C03 | C04 | H043 | H042 | 120.0° | 119.9° |
| C03 | C04 | H041 | H042 | 120.0° | 120.0° |
| C04 | C03 | C05 | H051 | 67.6° | 119.6° |
| C04 | C03 | C05 | H052 | 52.3° | 1.4° |
| H101 | C10 | C09 | H091 | 67.1° | 64.0° |
| H101 | C10 | C11 | H111 | 174.8° | 60.0° |
| H101 | C10 | C29 | H291 | 60.9° | 60.0° |
| H101 | C10 | C29 | H293 | 179.1° | 179.9° |
| H101 | C10 | C29 | H292 | 59.1° | 60.0° |
| H131 | C13 | H132 | H133 | 120.0° | 120.0° |
| H131 | C13 | C12 | H121 | 60.6° | 60.0° |
| H132 | C13 | C12 | H121 | 59.4° | 60.0° |
| H133 | C13 | C12 | H121 | 179.4° | 179.9° |
| H151 | C15 | C14 | H141 | 75.4° | 67.3° |
| H151 | C15 | C14 | H142 | 164.3° | 172.8° |
| H151 | C15 | C16 | H161 | 0.1° | 7.7° |
| H171 | C17 | C16 | H161 | 151.8° | 66.8° |
| H171 | C17 | N18 | H181 | 56.4° | 120.0° |
| H172 | C17 | C16 | H161 | 87.6° | 173.2° |
| H172 | C17 | N18 | H181 | 177.1° | 120.0° |
| H201 | C20 | C21 | H211 | 171.2° | 65.0° |
| H201 | C20 | C26 | H262 | 59.2° | 180.0° |
| H201 | C20 | C26 | H261 | 179.2° | 60.0° |
| H201 | C20 | C26 | H263 | 60.8° | 60.1° |
| H211 | C21 | C23 | H232 | 114.4° | 175.0° |
| H211 | C21 | C23 | H231 | 126.6° | 65.0° |
| H211 | C21 | O22 | H221 | 60.2° | 180.0° |
| H241 | C24 | C23 | H232 | 172.3° | 180.0° |
| H241 | C24 | C23 | H231 | 53.4° | 60.0° |
| H241 | C24 | C25 | H252 | 59.6° | 180.0° |
| H241 | C24 | C25 | H251 | 60.4° | 60.0° |
| H241 | C24 | C25 | H253 | 179.6° | 60.0° |
| H242 | C24 | C23 | H232 | 68.4° | 60.0° |
| H242 | C24 | C23 | H231 | 172.6° | 180.0° |
| H242 | C24 | C25 | H252 | 59.6° | 60.0° |
| H242 | C24 | C25 | H251 | 179.6° | 180.0° |
| H242 | C24 | C25 | H253 | 60.4° | 60.0° |
| H262 | C26 | H261 | H263 | 120.0° | 120.0° |
| H021 | C02 | C03 | H031 | 71.5° | 153.4° |
| H021 | C02 | C41 | H411 | 171.0° | 70.0° |
| H021 | C02 | C41 | H412 | 69.7° | 169.1° |
| H021 | C02 | O01 | H011 | 61.3° | 60.9° |
| H031 | C03 | C04 | H043 | 61.2° | 179.3° |
| H031 | C03 | C04 | H041 | 178.8° | 59.3° |
| H031 | C03 | C04 | H042 | 58.8° | 60.8° |
| H031 | C03 | C05 | H051 | 173.5° | 2.0° |
| H031 | C03 | C05 | H052 | 66.6° | 116.2° |
| H043 | C04 | H041 | H042 | 120.0° | 120.0° |
| H051 | C05 | C06 | H061 | 155.9° | 26.8° |
| H052 | C05 | C06 | H061 | 84.2° | 146.8° |
| H061 | C06 | C07 | H071 | 1.0° | 2.8° |
| H071 | C07 | C08 | H082 | 156.5° | 59.8° |
| H071 | C07 | C08 | H081 | 35.9° | 178.5° |
| H082 | C08 | C09 | H091 | 173.7° | 53.2° |
| H081 | C08 | C09 | H091 | 53.1° | 171.2° |
| H111 | C11 | C12 | H121 | 63.5° | 180.0° |
| H111 | C11 | O28 | H281 | 61.4° | 180.0° |
| H121 | C12 | C14 | H141 | 169.0° | 175.0° |
| H121 | C12 | C14 | H142 | 70.7° | 65.0° |
| H252 | C25 | H251 | H253 | 119.9° | 120.0° |
| H291 | C29 | H293 | H292 | 120.0° | 120.1° |
| H383 | C38 | H381 | H382 | 120.0° | 120.0° |
