2IX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N01 | C02 | sing | 1.38Å | 1.49Å | |
| N08 | C02 | doub | 1.33Å | 1.34Å | Aromatic |
| N08 | C09 | sing | 1.32Å | 1.35Å | Aromatic |
| C02 | N03 | sing | 1.33Å | 1.39Å | Aromatic |
| C09 | C10 | doub | 1.40Å | 1.47Å | Aromatic |
| N03 | C04 | doub | 1.32Å | 1.35Å | Aromatic |
| C10 | C04 | sing | 1.40Å | 1.41Å | Aromatic |
| C10 | C11 | sing | 1.48Å | 1.56Å | |
| C04 | C05 | sing | 1.51Å | 1.49Å | |
| F07 | C05 | sing | 1.40Å | 1.36Å | |
| C11 | N12 | doub | 1.33Å | 1.37Å | Aromatic |
| C11 | N45 | sing | 1.33Å | 1.29Å | Aromatic |
| C05 | F06 | sing | 1.40Å | 1.40Å | |
| N12 | C13 | sing | 1.33Å | 1.30Å | Aromatic |
| C29 | C28 | doub | 1.33Å | 1.29Å | |
| N45 | C38 | doub | 1.33Å | 1.31Å | Aromatic |
| C36 | C35 | sing | 1.53Å | 1.53Å | |
| C36 | N14 | sing | 1.47Å | 1.50Å | |
| O33 | C22 | doub | 1.21Å | 1.20Å | |
| O30 | C27 | doub | 1.22Å | 1.25Å | |
| C28 | C27 | sing | 1.47Å | 1.56Å | |
| C13 | N14 | sing | 1.38Å | 1.48Å | |
| C13 | N37 | doub | 1.33Å | 1.30Å | Aromatic |
| C35 | N17 | sing | 1.47Å | 1.43Å | |
| C44 | C43 | sing | 1.53Å | 1.53Å | |
| C44 | N39 | sing | 1.47Å | 1.48Å | |
| C27 | N26 | sing | 1.35Å | 1.43Å | |
| C38 | N37 | sing | 1.33Å | 1.35Å | Aromatic |
| C38 | N39 | sing | 1.38Å | 1.50Å | |
| C19 | N20 | sing | 1.47Å | 1.50Å | |
| C19 | C18 | sing | 1.51Å | 1.56Å | |
| N14 | C15 | sing | 1.47Å | 1.49Å | |
| C43 | O42 | sing | 1.43Å | 1.42Å | |
| C22 | N20 | sing | 1.35Å | 1.46Å | |
| C22 | C23 | sing | 1.51Å | 1.57Å | |
| N39 | C40 | sing | 1.47Å | 1.50Å | |
| C24 | C23 | sing | 1.53Å | 1.51Å | |
| C24 | C25 | sing | 1.53Å | 1.57Å | |
| N26 | C25 | sing | 1.47Å | 1.52Å | |
| N26 | C31 | sing | 1.47Å | 1.54Å | |
| N20 | C21 | sing | 1.46Å | 1.43Å | |
| N17 | C18 | sing | 1.35Å | 1.51Å | |
| N17 | C16 | sing | 1.47Å | 1.40Å | |
| C32 | C23 | sing | 1.53Å | 1.52Å | |
| C32 | C31 | sing | 1.53Å | 1.56Å | |
| C18 | O34 | doub | 1.21Å | 1.16Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| O42 | C41 | sing | 1.43Å | 1.40Å | |
| C40 | C41 | sing | 1.53Å | 1.52Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H213 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | 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 | |
| C29 | H292 | sing | 1.08Å | 1.08Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| 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 | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| C43 | H431 | sing | 1.09Å | 1.10Å | |
| C43 | H432 | sing | 1.09Å | 1.10Å | |
| C44 | H441 | sing | 1.09Å | 1.10Å | |
| C44 | H442 | sing | 1.09Å | 1.10Å | |
| N01 | H012 | sing | 0.97Å | 1.00Å | |
| N01 | H011 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N01 | C02 | N08 | 119.6° | 119.1° |
| N01 | C02 | N03 | 119.0° | 119.0° |
| C02 | N01 | H012 | 109.5° | 120.0° |
| C02 | N01 | H011 | 109.5° | 120.0° |
| C02 | N08 | C09 | 121.2° | 120.9° |
| N08 | C02 | N03 | 121.3° | 121.9° |
| N08 | C09 | C10 | 119.5° | 119.1° |
| N08 | C09 | H091 | 120.3° | 120.5° |
| C02 | N03 | C04 | 120.7° | 120.8° |
| C09 | C10 | C04 | 117.0° | 118.3° |
| C09 | C10 | C11 | 120.2° | 120.9° |
| C10 | C09 | H091 | 120.2° | 120.5° |
| N03 | C04 | C10 | 120.3° | 119.1° |
| N03 | C04 | C05 | 118.8° | 120.5° |
| C04 | C10 | C11 | 122.8° | 120.8° |
| C10 | C04 | C05 | 120.9° | 120.5° |
| C10 | C11 | N12 | 119.7° | 120.0° |
| C10 | C11 | N45 | 120.1° | 120.0° |
| C04 | C05 | F07 | 110.1° | 109.5° |
| C04 | C05 | F06 | 110.5° | 109.5° |
| C04 | C05 | H051 | 108.5° | 109.5° |
| F07 | C05 | F06 | 107.7° | 109.4° |
| F07 | C05 | H051 | 110.4° | 109.5° |
| N12 | C11 | N45 | 120.1° | 119.9° |
| C11 | N12 | C13 | 119.6° | 120.0° |
| C11 | N45 | C38 | 119.8° | 120.0° |
| F06 | C05 | H051 | 109.8° | 109.5° |
| N12 | C13 | N14 | 122.0° | 120.0° |
| N12 | C13 | N37 | 120.1° | 120.0° |
| C29 | C28 | C27 | 119.6° | 120.0° |
| C29 | C28 | H281 | 120.2° | 120.0° |
| C28 | C29 | H292 | 120.0° | 120.0° |
| C28 | C29 | H291 | 120.0° | 120.0° |
| N45 | C38 | N37 | 120.0° | 120.0° |
| N45 | C38 | N39 | 121.2° | 120.0° |
| C35 | C36 | N14 | 113.3° | 109.3° |
| C36 | C35 | N17 | 113.9° | 108.5° |
| C36 | C35 | H352 | 108.4° | 109.6° |
| C36 | C35 | H351 | 108.4° | 109.8° |
| C35 | C36 | H362 | 108.5° | 109.5° |
| C35 | C36 | H361 | 108.5° | 109.5° |
| C36 | N14 | C13 | 122.8° | 111.0° |
| C36 | N14 | C15 | 106.6° | 111.3° |
| N14 | C36 | H362 | 108.5° | 109.5° |
| N14 | C36 | H361 | 108.5° | 109.4° |
| O33 | C22 | N20 | 118.7° | 120.0° |
| O33 | C22 | C23 | 119.0° | 120.0° |
| O30 | C27 | C28 | 121.2° | 120.0° |
| O30 | C27 | N26 | 119.7° | 120.0° |
| C28 | C27 | N26 | 119.1° | 120.0° |
| C27 | C28 | H281 | 120.2° | 120.0° |
| N14 | C13 | N37 | 117.9° | 120.0° |
| C13 | N14 | C15 | 116.3° | 111.0° |
| C13 | N37 | C38 | 120.4° | 120.0° |
| C35 | N17 | C18 | 125.6° | 120.9° |
| C35 | N17 | C16 | 113.4° | 118.2° |
| N17 | C35 | H352 | 108.3° | 109.6° |
| N17 | C35 | H351 | 108.3° | 109.6° |
| C43 | C44 | N39 | 112.1° | 109.2° |
| C44 | C43 | O42 | 112.6° | 109.3° |
| C44 | C43 | H431 | 108.7° | 109.5° |
| C44 | C43 | H432 | 108.7° | 109.6° |
| C43 | C44 | H441 | 108.8° | 109.5° |
| C43 | C44 | H442 | 108.8° | 109.5° |
| C44 | N39 | C38 | 125.4° | 111.0° |
| C44 | N39 | C40 | 111.0° | 110.8° |
| N39 | C44 | H441 | 108.8° | 109.6° |
| N39 | C44 | H442 | 108.8° | 109.5° |
| C27 | N26 | C25 | 125.6° | 120.7° |
| C27 | N26 | C31 | 123.9° | 120.6° |
| N37 | C38 | N39 | 118.9° | 120.0° |
| C38 | N39 | C40 | 123.3° | 111.0° |
| N20 | C19 | C18 | 107.3° | 109.5° |
| C19 | N20 | C22 | 120.8° | 120.0° |
| C19 | N20 | C21 | 119.3° | 120.0° |
| N20 | C19 | H192 | 110.0° | 109.4° |
| N20 | C19 | H191 | 110.0° | 109.4° |
| C19 | C18 | N17 | 122.7° | 120.0° |
| C19 | C18 | O34 | 119.1° | 120.0° |
| C18 | C19 | H192 | 110.0° | 109.5° |
| C18 | C19 | H191 | 110.0° | 109.5° |
| N14 | C15 | C16 | 111.4° | 109.3° |
| N14 | C15 | H151 | 109.0° | 109.5° |
| N14 | C15 | H152 | 109.0° | 109.5° |
| C43 | O42 | C41 | 113.7° | 113.8° |
| O42 | C43 | H431 | 108.7° | 109.5° |
| O42 | C43 | H432 | 108.7° | 109.5° |
| N20 | C22 | C23 | 122.3° | 120.0° |
| C22 | N20 | C21 | 119.9° | 120.0° |
| C22 | C23 | C24 | 108.1° | 109.5° |
| C22 | C23 | C32 | 108.1° | 109.4° |
| C22 | C23 | H231 | 108.2° | 109.4° |
| N39 | C40 | C41 | 112.5° | 109.2° |
| N39 | C40 | H401 | 108.7° | 109.5° |
| N39 | C40 | H402 | 108.7° | 109.5° |
| C23 | C24 | C25 | 111.8° | 109.3° |
| C24 | C23 | C32 | 114.5° | 109.6° |
| C23 | C24 | H242 | 108.9° | 109.5° |
| C23 | C24 | H241 | 108.9° | 109.6° |
| C24 | C23 | H231 | 108.9° | 109.5° |
| C24 | C25 | N26 | 108.6° | 108.8° |
| C25 | C24 | H242 | 108.9° | 109.4° |
| C25 | C24 | H241 | 108.9° | 109.5° |
| C24 | C25 | H252 | 109.7° | 109.6° |
| C24 | C25 | H251 | 109.7° | 109.6° |
| C25 | N26 | C31 | 110.4° | 118.7° |
| N26 | C25 | H252 | 109.7° | 109.6° |
| N26 | C25 | H251 | 109.7° | 109.7° |
| N26 | C31 | C32 | 109.1° | 108.8° |
| N26 | C31 | H311 | 109.6° | 109.6° |
| N26 | C31 | H312 | 109.6° | 109.8° |
| N20 | C21 | H212 | 109.5° | 109.4° |
| N20 | C21 | H213 | 109.5° | 109.5° |
| N20 | C21 | H211 | 109.5° | 109.5° |
| C18 | N17 | C16 | 121.1° | 120.9° |
| N17 | C18 | O34 | 118.3° | 120.0° |
| N17 | C16 | C15 | 111.6° | 108.5° |
| N17 | C16 | H161 | 108.9° | 109.7° |
| N17 | C16 | H162 | 108.9° | 109.8° |
| C23 | C32 | C31 | 112.7° | 109.3° |
| C32 | C23 | H231 | 108.8° | 109.4° |
| C23 | C32 | H321 | 108.7° | 109.5° |
| C23 | C32 | H322 | 108.7° | 109.5° |
| C32 | C31 | H311 | 109.6° | 109.5° |
| C32 | C31 | H312 | 109.6° | 109.5° |
| C31 | C32 | H321 | 108.7° | 109.5° |
| C31 | C32 | H322 | 108.6° | 109.4° |
| C16 | C15 | H151 | 109.0° | 109.5° |
| C16 | C15 | H152 | 109.0° | 109.5° |
| C15 | C16 | H161 | 109.0° | 109.6° |
| C15 | C16 | H162 | 108.9° | 109.6° |
| O42 | C41 | C40 | 112.9° | 109.2° |
| O42 | C41 | H411 | 108.6° | 109.5° |
| O42 | C41 | H412 | 108.6° | 109.5° |
| C41 | C40 | H401 | 108.7° | 109.6° |
| C41 | C40 | H402 | 108.7° | 109.5° |
| C40 | C41 | H411 | 108.6° | 109.6° |
| C40 | C41 | H412 | 108.6° | 109.5° |
| H151 | C15 | H152 | 109.5° | 109.6° |
| H212 | C21 | H213 | 109.5° | 109.4° |
| H212 | C21 | H211 | 109.5° | 109.5° |
| H213 | C21 | H211 | 109.4° | 109.5° |
| H242 | C24 | H241 | 109.5° | 109.5° |
| H161 | C16 | H162 | 109.5° | 109.6° |
| H192 | C19 | H191 | 109.5° | 109.5° |
| H252 | C25 | H251 | 109.5° | 109.6° |
| H292 | C29 | H291 | 120.0° | 120.0° |
| H311 | C31 | H312 | 109.5° | 109.6° |
| H321 | C32 | H322 | 109.5° | 109.5° |
| H352 | C35 | H351 | 109.5° | 109.6° |
| H362 | C36 | H361 | 109.5° | 109.6° |
| H401 | C40 | H402 | 109.4° | 109.5° |
| H411 | C41 | H412 | 109.4° | 109.5° |
| H431 | C43 | H432 | 109.5° | 109.5° |
| H441 | C44 | H442 | 109.5° | 109.6° |
| H012 | N01 | H011 | 109.4° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N01 | C02 | N08 | N03 | 179.9° | 179.4° |
| N01 | C02 | N08 | C09 | 179.9° | 179.7° |
| N01 | C02 | N03 | C04 | 179.8° | 180.0° |
| C02 | N01 | H012 | H011 | 120.0° | 180.0° |
| C02 | N08 | C09 | C10 | 0.1° | 0.5° |
| N08 | C02 | N03 | C04 | 0.1° | 0.6° |
| C02 | N08 | C09 | H091 | 179.9° | 179.5° |
| N08 | C02 | N01 | H012 | 0.0° | 179.5° |
| N08 | C02 | N01 | H011 | 120.0° | 0.5° |
| C09 | N08 | C02 | N03 | 0.0° | 0.8° |
| N08 | C09 | C10 | H091 | 180.0° | 180.0° |
| N08 | C09 | C10 | C04 | 0.0° | 0.0° |
| N08 | C09 | C10 | C11 | 179.9° | 179.7° |
| C02 | N03 | C04 | C10 | 0.2° | 0.0° |
| C02 | N03 | C04 | C05 | 179.7° | 180.0° |
| N03 | C02 | N01 | H012 | 179.9° | 0.0° |
| N03 | C02 | N01 | H011 | 60.1° | 180.0° |
| C09 | C10 | C04 | N03 | 0.1° | 0.3° |
| C09 | C10 | C04 | C11 | 179.9° | 179.7° |
| C09 | C10 | C04 | C05 | 179.7° | 179.7° |
| C09 | C10 | C11 | N12 | 141.9° | 52.9° |
| C09 | C10 | C11 | N45 | 37.1° | 127.1° |
| N03 | C04 | C10 | C05 | 179.6° | 180.0° |
| N03 | C04 | C10 | C11 | 180.0° | 180.0° |
| N03 | C04 | C05 | F07 | 102.1° | 140.3° |
| N03 | C04 | C05 | F06 | 16.7° | 20.3° |
| N03 | C04 | C05 | H051 | 137.1° | 99.7° |
| C10 | C04 | C05 | F07 | 78.3° | 39.7° |
| C04 | C10 | C11 | N12 | 38.0° | 127.4° |
| C04 | C10 | C11 | N45 | 143.0° | 52.6° |
| C10 | C04 | C05 | F06 | 162.9° | 159.7° |
| C10 | C04 | C05 | H051 | 42.5° | 80.3° |
| C04 | C10 | C09 | H091 | 180.0° | 180.0° |
| C11 | C10 | C04 | C05 | 0.4° | 0.0° |
| C10 | C11 | N12 | N45 | 179.0° | 179.9° |
| C10 | C11 | N12 | C13 | 179.6° | 180.0° |
| C10 | C11 | N45 | C38 | 179.5° | 180.0° |
| C11 | C10 | C09 | H091 | 0.1° | 0.3° |
| C04 | C05 | F07 | F06 | 120.5° | 120.0° |
| C04 | C05 | F07 | H051 | 119.7° | 120.0° |
| C04 | C05 | F06 | H051 | 119.6° | 120.0° |
| F07 | C05 | F06 | H051 | 120.2° | 120.0° |
| N12 | C11 | N45 | C38 | 0.5° | 0.0° |
| C11 | N12 | C13 | N14 | 179.2° | 180.0° |
| C11 | N12 | C13 | N37 | 0.0° | 0.1° |
| N45 | C11 | N12 | C13 | 0.5° | 0.1° |
| C11 | N45 | C38 | N37 | 0.0° | 0.0° |
| C11 | N45 | C38 | N39 | 179.5° | 179.9° |
| N12 | C13 | N14 | C36 | 48.9° | 0.0° |
| N12 | C13 | N14 | N37 | 179.3° | 179.9° |
| N12 | C13 | N37 | C38 | 0.5° | 0.1° |
| N12 | C13 | N14 | C15 | 176.9° | 124.3° |
| C29 | C28 | C27 | O30 | 119.6° | 5.3° |
| C29 | C28 | C27 | H281 | 180.0° | 180.0° |
| C29 | C28 | C27 | N26 | 60.9° | 174.8° |
| C28 | C29 | H292 | H291 | 180.0° | 180.0° |
| N45 | C38 | N37 | C13 | 0.5° | 0.1° |
| N45 | C38 | N39 | C44 | 40.6° | 6.5° |
| N45 | C38 | N37 | N39 | 179.5° | 179.9° |
| N45 | C38 | N39 | C40 | 131.2° | 117.2° |
| C35 | C36 | N14 | H362 | 120.6° | 120.0° |
| C35 | C36 | N14 | H361 | 120.6° | 119.9° |
| C35 | C36 | N14 | C13 | 170.0° | 172.8° |
| C36 | C35 | N17 | H352 | 120.7° | 119.7° |
| C36 | C35 | N17 | H351 | 120.7° | 119.9° |
| C35 | C36 | N14 | C15 | 52.1° | 63.1° |
| C36 | C35 | N17 | C18 | 131.2° | 128.8° |
| C36 | C35 | N17 | C16 | 49.0° | 51.2° |
| C36 | C35 | H352 | H351 | 118.0° | 120.6° |
| C35 | C36 | H362 | H361 | 118.2° | 120.1° |
| C36 | N14 | C13 | C15 | 134.3° | 124.3° |
| C36 | N14 | C13 | N37 | 131.9° | 179.9° |
| N14 | C36 | C35 | N17 | 48.7° | 53.8° |
| C36 | N14 | C15 | C16 | 57.6° | 63.1° |
| C36 | N14 | C15 | H151 | 177.9° | 56.8° |
| C36 | N14 | C15 | H152 | 62.7° | 177.0° |
| N14 | C36 | C35 | H352 | 169.4° | 173.5° |
| N14 | C36 | C35 | H351 | 71.9° | 66.0° |
| N14 | C36 | H362 | H361 | 118.2° | 120.0° |
| O33 | C22 | N20 | C19 | 0.1° | 5.3° |
| O33 | C22 | N20 | C23 | 179.6° | 180.0° |
| O33 | C22 | C23 | C24 | 81.2° | 6.7° |
| O33 | C22 | N20 | C21 | 179.9° | 174.8° |
| O33 | C22 | C23 | C32 | 43.3° | 113.5° |
| O33 | C22 | C23 | H231 | 161.0° | 126.6° |
| O30 | C27 | C28 | N26 | 179.4° | 180.0° |
| O30 | C27 | N26 | C25 | 1.9° | 5.1° |
| O30 | C27 | N26 | C31 | 179.1° | 174.9° |
| O30 | C27 | C28 | H281 | 60.3° | 174.7° |
| C28 | C27 | N26 | C25 | 178.7° | 174.9° |
| C28 | C27 | N26 | C31 | 1.4° | 5.1° |
| C27 | C28 | C29 | H292 | 180.0° | 0.0° |
| C27 | C28 | C29 | H291 | 0.0° | 180.0° |
| N14 | C13 | N37 | C38 | 179.7° | 180.0° |
| C13 | N14 | C15 | C16 | 161.3° | 172.8° |
| C13 | N14 | C15 | H151 | 41.0° | 67.3° |
| C13 | N14 | C15 | H152 | 78.4° | 52.8° |
| C13 | N14 | C36 | H362 | 49.4° | 52.8° |
| C13 | N14 | C36 | H361 | 69.4° | 67.3° |
| C13 | N37 | C38 | N39 | 180.0° | 180.0° |
| N37 | C13 | N14 | C15 | 2.4° | 55.7° |
| C35 | N17 | C18 | C19 | 1.0° | 180.0° |
| C35 | N17 | C18 | C16 | 179.8° | 179.9° |
| C35 | N17 | C18 | O34 | 179.6° | 0.1° |
| C35 | N17 | C16 | C15 | 54.3° | 51.2° |
| C35 | N17 | C16 | H161 | 174.6° | 68.5° |
| C35 | N17 | C16 | H162 | 66.0° | 171.0° |
| N17 | C35 | H352 | H351 | 117.9° | 120.4° |
| N17 | C35 | C36 | H362 | 169.3° | 173.8° |
| N17 | C35 | C36 | H361 | 71.8° | 66.1° |
| C43 | C44 | N39 | H441 | 120.4° | 120.0° |
| C43 | C44 | N39 | H442 | 120.4° | 119.9° |
| C43 | C44 | N39 | C38 | 138.0° | 177.6° |
| C44 | C43 | O42 | H431 | 120.5° | 120.0° |
| C44 | C43 | O42 | H432 | 120.5° | 120.0° |
| C43 | C44 | N39 | C40 | 49.4° | 58.6° |
| C44 | C43 | O42 | C41 | 54.8° | 58.7° |
| C44 | C43 | H431 | H432 | 118.6° | 120.1° |
| C43 | C44 | H441 | H442 | 118.8° | 120.1° |
| C44 | N39 | C38 | N37 | 139.9° | 173.6° |
| C44 | N39 | C38 | C40 | 171.8° | 123.7° |
| N39 | C44 | C43 | O42 | 52.5° | 56.8° |
| C44 | N39 | C40 | C41 | 48.8° | 58.6° |
| C44 | N39 | C40 | H401 | 169.3° | 61.3° |
| C44 | N39 | C40 | H402 | 71.7° | 178.5° |
| N39 | C44 | C43 | H431 | 173.0° | 176.8° |
| N39 | C44 | C43 | H432 | 67.9° | 63.1° |
| N39 | C44 | H441 | H442 | 118.8° | 120.1° |
| C27 | N26 | C25 | C24 | 114.7° | 126.4° |
| C27 | N26 | C25 | C31 | 177.6° | 180.0° |
| C27 | N26 | C31 | C32 | 116.0° | 126.4° |
| N26 | C27 | C28 | H281 | 119.1° | 5.2° |
| C27 | N26 | C25 | H252 | 5.1° | 6.6° |
| C27 | N26 | C25 | H251 | 125.4° | 113.7° |
| C27 | N26 | C31 | H311 | 4.0° | 113.9° |
| C27 | N26 | C31 | H312 | 124.1° | 6.6° |
| N37 | C38 | N39 | C40 | 48.3° | 62.7° |
| C38 | N39 | C40 | C41 | 138.4° | 177.6° |
| C38 | N39 | C40 | H401 | 17.9° | 62.4° |
| C38 | N39 | C40 | H402 | 101.2° | 57.7° |
| C38 | N39 | C44 | H441 | 17.6° | 57.6° |
| C38 | N39 | C44 | H442 | 101.7° | 62.5° |
| N20 | C19 | C18 | H192 | 119.7° | 120.0° |
| N20 | C19 | C18 | H191 | 119.6° | 120.0° |
| C19 | N20 | C22 | C21 | 179.8° | 179.9° |
| C19 | N20 | C22 | C23 | 179.7° | 174.7° |
| N20 | C19 | C18 | N17 | 132.8° | 180.0° |
| N20 | C19 | C18 | O34 | 45.8° | 0.0° |
| C19 | N20 | C21 | H212 | 180.0° | 90.2° |
| C19 | N20 | C21 | H213 | 60.0° | 29.8° |
| C19 | N20 | C21 | H211 | 60.0° | 149.8° |
| N20 | C19 | H192 | H191 | 121.0° | 120.0° |
| C18 | C19 | N20 | C22 | 152.8° | 90.0° |
| C18 | C19 | N20 | C21 | 27.4° | 89.9° |
| C19 | C18 | N17 | O34 | 178.7° | 179.9° |
| C19 | C18 | N17 | C16 | 178.8° | 0.1° |
| C18 | C19 | H192 | H191 | 121.0° | 120.0° |
| N14 | C15 | C16 | N17 | 60.7° | 53.9° |
| N14 | C15 | C16 | H151 | 120.3° | 119.9° |
| N14 | C15 | C16 | H152 | 120.3° | 120.0° |
| N14 | C15 | H151 | H152 | 119.1° | 120.1° |
| N14 | C15 | C16 | H161 | 179.0° | 65.9° |
| N14 | C15 | C16 | H162 | 59.6° | 173.7° |
| C15 | N14 | C36 | H362 | 172.7° | 176.9° |
| C15 | N14 | C36 | H361 | 68.5° | 56.8° |
| C43 | O42 | C41 | C40 | 54.1° | 58.7° |
| C43 | O42 | C41 | H411 | 174.6° | 61.3° |
| C43 | O42 | C41 | H412 | 66.4° | 178.6° |
| O42 | C43 | H431 | H432 | 118.5° | 120.0° |
| O42 | C43 | C44 | H441 | 172.9° | 176.8° |
| O42 | C43 | C44 | H442 | 67.8° | 63.1° |
| N20 | C22 | C23 | C24 | 99.2° | 173.3° |
| N20 | C22 | C23 | C32 | 136.3° | 66.5° |
| C22 | N20 | C21 | H212 | 0.2° | 89.9° |
| C22 | N20 | C21 | H213 | 119.8° | 150.1° |
| C22 | N20 | C21 | H211 | 120.2° | 30.1° |
| C22 | N20 | C19 | H192 | 87.6° | 30.0° |
| C22 | N20 | C19 | H191 | 33.1° | 150.1° |
| N20 | C22 | C23 | H231 | 18.6° | 53.4° |
| C22 | C23 | C24 | C32 | 120.6° | 120.0° |
| C22 | C23 | C24 | H231 | 117.3° | 119.9° |
| C22 | C23 | C24 | C25 | 169.5° | 178.6° |
| C23 | C22 | N20 | C21 | 0.4° | 5.2° |
| C22 | C23 | C32 | H231 | 117.3° | 119.9° |
| C22 | C23 | C32 | C31 | 168.5° | 178.6° |
| C22 | C23 | C24 | H242 | 49.2° | 61.5° |
| C22 | C23 | C24 | H241 | 70.1° | 58.7° |
| C22 | C23 | C32 | H321 | 71.0° | 58.6° |
| C22 | C23 | C32 | H322 | 48.0° | 61.5° |
| N39 | C40 | C41 | O42 | 51.1° | 56.9° |
| N39 | C40 | C41 | H401 | 120.5° | 119.9° |
| N39 | C40 | C41 | H402 | 120.5° | 119.9° |
| N39 | C40 | H401 | H402 | 118.6° | 120.1° |
| N39 | C40 | C41 | H411 | 171.6° | 63.1° |
| N39 | C40 | C41 | H412 | 69.4° | 176.8° |
| C40 | N39 | C44 | H441 | 169.8° | 178.6° |
| C40 | N39 | C44 | H442 | 71.0° | 61.3° |
| C23 | C24 | C25 | H242 | 120.4° | 119.9° |
| C23 | C24 | C25 | H241 | 120.4° | 120.0° |
| C23 | C24 | C25 | N26 | 55.6° | 54.6° |
| C24 | C23 | C32 | H231 | 122.1° | 120.1° |
| C24 | C23 | C32 | C31 | 47.9° | 61.3° |
| C23 | C24 | H242 | H241 | 118.9° | 120.1° |
| C23 | C24 | C25 | H252 | 175.5° | 174.4° |
| C23 | C24 | C25 | H251 | 64.2° | 65.3° |
| C24 | C23 | C32 | H321 | 168.4° | 178.7° |
| C24 | C23 | C32 | H322 | 72.6° | 58.5° |
| C24 | C25 | N26 | H252 | 119.8° | 119.8° |
| C24 | C25 | N26 | H251 | 119.9° | 119.9° |
| C24 | C25 | N26 | C31 | 62.9° | 53.6° |
| C25 | C24 | C23 | C32 | 48.9° | 61.3° |
| C25 | C24 | H242 | H241 | 118.9° | 120.0° |
| C25 | C24 | C23 | H231 | 73.2° | 58.7° |
| C24 | C25 | H252 | H251 | 120.4° | 120.3° |
| C25 | N26 | C31 | C32 | 61.7° | 53.6° |
| N26 | C25 | C24 | H242 | 64.7° | 65.3° |
| N26 | C25 | C24 | H241 | 176.0° | 174.6° |
| N26 | C25 | H252 | H251 | 120.4° | 120.4° |
| C25 | N26 | C31 | H311 | 178.4° | 66.2° |
| C25 | N26 | C31 | H312 | 58.3° | 173.4° |
| N26 | C31 | C32 | C23 | 52.7° | 54.6° |
| N26 | C31 | C32 | H311 | 120.0° | 119.8° |
| N26 | C31 | C32 | H312 | 119.9° | 120.0° |
| C31 | N26 | C25 | H252 | 177.3° | 173.4° |
| C31 | N26 | C25 | H251 | 57.0° | 66.3° |
| N26 | C31 | H311 | H312 | 120.2° | 120.5° |
| N26 | C31 | C32 | H321 | 173.2° | 174.6° |
| N26 | C31 | C32 | H322 | 67.8° | 65.3° |
| N20 | C21 | H212 | H213 | 120.0° | 120.0° |
| N20 | C21 | H212 | H211 | 120.0° | 120.0° |
| N20 | C21 | H213 | H211 | 120.0° | 120.0° |
| C21 | N20 | C19 | H192 | 92.2° | 150.1° |
| C21 | N20 | C19 | H191 | 147.1° | 30.0° |
| C18 | N17 | C16 | C15 | 125.9° | 128.8° |
| C18 | N17 | C16 | H161 | 5.6° | 111.4° |
| C18 | N17 | C16 | H162 | 113.8° | 9.0° |
| N17 | C18 | C19 | H192 | 13.2° | 60.1° |
| N17 | C18 | C19 | H191 | 107.5° | 60.0° |
| C18 | N17 | C35 | H352 | 10.6° | 9.1° |
| C18 | N17 | C35 | H351 | 108.1° | 111.2° |
| C16 | N17 | C18 | O34 | 0.1° | 180.0° |
| N17 | C16 | C15 | H161 | 120.3° | 119.8° |
| N17 | C16 | C15 | H162 | 120.3° | 119.9° |
| N17 | C16 | C15 | H151 | 179.0° | 66.1° |
| N17 | C16 | C15 | H152 | 59.6° | 173.8° |
| N17 | C16 | H161 | H162 | 119.0° | 120.6° |
| C16 | N17 | C35 | H352 | 169.6° | 170.9° |
| C16 | N17 | C35 | H351 | 71.7° | 68.7° |
| C23 | C32 | C31 | H321 | 120.5° | 120.0° |
| C23 | C32 | C31 | H322 | 120.5° | 119.9° |
| C32 | C23 | C24 | H242 | 71.4° | 58.6° |
| C32 | C23 | C24 | H241 | 169.3° | 178.7° |
| C23 | C32 | C31 | H311 | 172.7° | 65.2° |
| C23 | C32 | C31 | H312 | 67.2° | 174.6° |
| C23 | C32 | H321 | H322 | 118.5° | 120.1° |
| C31 | C32 | C23 | H231 | 74.2° | 58.7° |
| C32 | C31 | H311 | H312 | 120.2° | 120.2° |
| C31 | C32 | H321 | H322 | 118.5° | 120.0° |
| O34 | C18 | C19 | H192 | 165.5° | 120.0° |
| O34 | C18 | C19 | H191 | 73.8° | 119.9° |
| C16 | C15 | H151 | H152 | 119.2° | 120.1° |
| C15 | C16 | H161 | H162 | 119.0° | 120.4° |
| O42 | C41 | C40 | H411 | 120.5° | 120.0° |
| O42 | C41 | C40 | H412 | 120.5° | 119.9° |
| O42 | C41 | C40 | H401 | 171.5° | 63.1° |
| O42 | C41 | C40 | H402 | 69.4° | 176.8° |
| O42 | C41 | H411 | H412 | 118.4° | 120.1° |
| C41 | O42 | C43 | H431 | 175.3° | 178.6° |
| C41 | O42 | C43 | H432 | 65.7° | 61.3° |
| C41 | C40 | H401 | H402 | 118.6° | 120.1° |
| C40 | C41 | H411 | H412 | 118.4° | 120.1° |
| H151 | C15 | C16 | H161 | 58.7° | 174.1° |
| H151 | C15 | C16 | H162 | 60.7° | 53.8° |
| H152 | C15 | C16 | H161 | 60.7° | 54.0° |
| H152 | C15 | C16 | H162 | 179.9° | 66.3° |
| H212 | C21 | H213 | H211 | 120.0° | 120.0° |
| H242 | C24 | C23 | H231 | 166.5° | 178.6° |
| H242 | C24 | C25 | H252 | 55.2° | 54.5° |
| H242 | C24 | C25 | H251 | 175.4° | 174.8° |
| H241 | C24 | C23 | H231 | 47.2° | 61.3° |
| H241 | C24 | C25 | H252 | 64.1° | 65.6° |
| H241 | C24 | C25 | H251 | 56.2° | 54.7° |
| H281 | C28 | C29 | H292 | 0.0° | 180.0° |
| H281 | C28 | C29 | H291 | 180.0° | 0.0° |
| H231 | C23 | C32 | H321 | 46.3° | 61.3° |
| H231 | C23 | C32 | H322 | 165.3° | 178.6° |
| H311 | C31 | C32 | H321 | 66.8° | 54.8° |
| H311 | C31 | C32 | H322 | 52.2° | 174.9° |
| H312 | C31 | C32 | H321 | 53.3° | 65.4° |
| H312 | C31 | C32 | H322 | 172.3° | 54.7° |
| H352 | C35 | C36 | H362 | 70.0° | 66.5° |
| H352 | C35 | C36 | H361 | 48.8° | 53.6° |
| H351 | C35 | C36 | H362 | 48.7° | 53.9° |
| H351 | C35 | C36 | H361 | 167.5° | 174.1° |
| H401 | C40 | C41 | H411 | 67.9° | 177.0° |
| H401 | C40 | C41 | H412 | 51.0° | 56.9° |
| H402 | C40 | C41 | H411 | 51.1° | 56.8° |
| H402 | C40 | C41 | H412 | 170.1° | 63.3° |
| H431 | C43 | C44 | H441 | 66.6° | 63.2° |
| H431 | C43 | C44 | H442 | 52.6° | 56.9° |
| H432 | C43 | C44 | H441 | 52.5° | 56.9° |
| H432 | C43 | C44 | H442 | 171.7° | 177.0° |
