2Q7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N01 | C02 | sing | 1.38Å | 1.44Å | |
| N08 | C02 | doub | 1.33Å | 1.32Å | Aromatic |
| N08 | C09 | sing | 1.32Å | 1.32Å | Aromatic |
| C02 | N03 | sing | 1.33Å | 1.31Å | Aromatic |
| C09 | C10 | doub | 1.40Å | 1.38Å | Aromatic |
| N03 | C04 | doub | 1.32Å | 1.32Å | Aromatic |
| C10 | C04 | sing | 1.40Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.48Å | 1.55Å | |
| C04 | C05 | sing | 1.51Å | 1.52Å | |
| F06 | C05 | sing | 1.40Å | 1.37Å | |
| C11 | N12 | doub | 1.33Å | 1.34Å | Aromatic |
| C11 | N44 | sing | 1.33Å | 1.33Å | Aromatic |
| C05 | F07 | sing | 1.40Å | 1.36Å | |
| C28 | C27 | doub | 1.33Å | 1.31Å | |
| C19 | N20 | sing | 1.47Å | 1.47Å | |
| C19 | C18 | sing | 1.51Å | 1.54Å | |
| C35 | C34 | sing | 1.53Å | 1.53Å | |
| C35 | N14 | sing | 1.47Å | 1.50Å | |
| N12 | C13 | sing | 1.33Å | 1.32Å | Aromatic |
| N44 | C37 | doub | 1.33Å | 1.33Å | Aromatic |
| N20 | C21 | sing | 1.35Å | 1.46Å | |
| C34 | N17 | sing | 1.47Å | 1.41Å | |
| O32 | C21 | doub | 1.21Å | 1.18Å | |
| C21 | C22 | sing | 1.51Å | 1.54Å | |
| C43 | C42 | sing | 1.53Å | 1.53Å | |
| C43 | N38 | sing | 1.47Å | 1.47Å | |
| C13 | N14 | sing | 1.38Å | 1.49Å | |
| C13 | N36 | doub | 1.33Å | 1.33Å | Aromatic |
| C37 | N36 | sing | 1.33Å | 1.34Å | Aromatic |
| C37 | N38 | sing | 1.38Å | 1.46Å | |
| C27 | C26 | sing | 1.47Å | 1.52Å | |
| N14 | C15 | sing | 1.47Å | 1.50Å | |
| C18 | N17 | sing | 1.35Å | 1.48Å | |
| C18 | O33 | doub | 1.21Å | 1.18Å | |
| C22 | C31 | sing | 1.53Å | 1.49Å | |
| C22 | C23 | sing | 1.53Å | 1.49Å | |
| N17 | C16 | sing | 1.47Å | 1.41Å | |
| O29 | C26 | doub | 1.22Å | 1.19Å | |
| C42 | O41 | sing | 1.43Å | 1.39Å | |
| C26 | N25 | sing | 1.35Å | 1.44Å | |
| N38 | C39 | sing | 1.47Å | 1.46Å | |
| C31 | C30 | sing | 1.53Å | 1.53Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| O41 | C40 | sing | 1.43Å | 1.39Å | |
| N25 | C30 | sing | 1.47Å | 1.50Å | |
| N25 | C24 | sing | 1.47Å | 1.50Å | |
| C39 | C40 | sing | 1.53Å | 1.53Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.08Å | 1.08Å | |
| C28 | H282 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| C42 | H422 | sing | 1.09Å | 1.10Å | |
| C42 | H421 | sing | 1.09Å | 1.10Å | |
| C43 | H432 | sing | 1.09Å | 1.10Å | |
| C43 | H431 | sing | 1.09Å | 1.10Å | |
| N01 | H011 | sing | 0.97Å | 1.00Å | |
| N01 | H012 | sing | 0.97Å | 1.00Å | |
| N20 | H201 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N01 | C02 | N08 | 119.2° | 119.0° |
| N01 | C02 | N03 | 119.6° | 119.1° |
| C02 | N01 | H011 | 109.5° | 120.0° |
| C02 | N01 | H012 | 109.4° | 120.0° |
| C02 | N08 | C09 | 121.7° | 120.8° |
| N08 | C02 | N03 | 121.1° | 121.9° |
| N08 | C09 | C10 | 119.4° | 119.1° |
| N08 | C09 | H091 | 120.3° | 120.5° |
| C02 | N03 | C04 | 120.3° | 120.8° |
| C09 | C10 | C04 | 116.9° | 118.3° |
| C09 | C10 | C11 | 120.4° | 120.9° |
| C10 | C09 | H091 | 120.3° | 120.5° |
| N03 | C04 | C10 | 120.5° | 119.0° |
| N03 | C04 | C05 | 119.1° | 120.4° |
| C04 | C10 | C11 | 122.7° | 120.9° |
| C10 | C04 | C05 | 120.4° | 120.5° |
| C10 | C11 | N12 | 119.8° | 120.0° |
| C10 | C11 | N44 | 120.3° | 120.0° |
| C04 | C05 | F06 | 109.7° | 109.5° |
| C04 | C05 | F07 | 110.8° | 109.5° |
| C04 | C05 | H051 | 107.8° | 109.5° |
| F06 | C05 | F07 | 108.8° | 109.5° |
| F06 | C05 | H051 | 109.8° | 109.4° |
| N12 | C11 | N44 | 119.9° | 120.0° |
| C11 | N12 | C13 | 120.4° | 120.0° |
| C11 | N44 | C37 | 119.7° | 120.0° |
| F07 | C05 | H051 | 109.9° | 109.4° |
| C28 | C27 | C26 | 119.8° | 120.0° |
| C27 | C28 | H281 | 120.0° | 120.0° |
| C27 | C28 | H282 | 120.0° | 120.0° |
| C28 | C27 | H271 | 120.1° | 120.0° |
| N20 | C19 | C18 | 109.3° | 109.4° |
| C19 | N20 | C21 | 118.2° | 120.0° |
| N20 | C19 | H191 | 109.5° | 109.4° |
| N20 | C19 | H192 | 109.5° | 109.5° |
| C19 | N20 | H201 | 120.9° | 120.0° |
| C19 | C18 | N17 | 121.4° | 120.0° |
| C19 | C18 | O33 | 119.5° | 120.0° |
| C18 | C19 | H191 | 109.5° | 109.4° |
| C18 | C19 | H192 | 109.5° | 109.5° |
| C34 | C35 | N14 | 112.5° | 109.3° |
| C35 | C34 | N17 | 112.1° | 108.5° |
| C35 | C34 | H341 | 108.8° | 109.6° |
| C35 | C34 | H342 | 108.8° | 109.8° |
| C34 | C35 | H352 | 108.7° | 109.6° |
| C34 | C35 | H351 | 108.7° | 109.5° |
| C35 | N14 | C13 | 118.8° | 111.0° |
| C35 | N14 | C15 | 106.4° | 111.3° |
| N14 | C35 | H352 | 108.7° | 109.5° |
| N14 | C35 | H351 | 108.7° | 109.4° |
| N12 | C13 | N14 | 119.3° | 120.0° |
| N12 | C13 | N36 | 119.7° | 120.0° |
| N44 | C37 | N36 | 120.1° | 120.0° |
| N44 | C37 | N38 | 120.6° | 120.0° |
| N20 | C21 | O32 | 119.2° | 120.0° |
| N20 | C21 | C22 | 121.2° | 120.0° |
| C21 | N20 | H201 | 120.9° | 120.0° |
| C34 | N17 | C18 | 123.3° | 120.9° |
| C34 | N17 | C16 | 113.2° | 118.2° |
| N17 | C34 | H341 | 108.8° | 109.6° |
| N17 | C34 | H342 | 108.8° | 109.7° |
| O32 | C21 | C22 | 119.7° | 120.0° |
| C21 | C22 | C31 | 110.4° | 109.4° |
| C21 | C22 | C23 | 108.1° | 109.5° |
| C21 | C22 | H221 | 108.0° | 109.4° |
| C42 | C43 | N38 | 114.2° | 109.3° |
| C43 | C42 | O41 | 113.2° | 109.2° |
| C43 | C42 | H422 | 108.5° | 109.5° |
| C43 | C42 | H421 | 108.5° | 109.6° |
| C42 | C43 | H432 | 108.3° | 109.5° |
| C42 | C43 | H431 | 108.3° | 109.5° |
| C43 | N38 | C37 | 119.4° | 111.0° |
| C43 | N38 | C39 | 106.7° | 110.8° |
| N38 | C43 | H432 | 108.3° | 109.5° |
| N38 | C43 | H431 | 108.3° | 109.5° |
| N14 | C13 | N36 | 121.0° | 120.0° |
| C13 | N14 | C15 | 119.3° | 111.0° |
| C13 | N36 | C37 | 120.1° | 120.0° |
| N36 | C37 | N38 | 119.3° | 120.0° |
| C37 | N38 | C39 | 117.2° | 111.0° |
| C27 | C26 | O29 | 120.1° | 120.0° |
| C27 | C26 | N25 | 120.1° | 120.0° |
| C26 | C27 | H271 | 120.1° | 120.0° |
| N14 | C15 | C16 | 112.2° | 109.4° |
| N14 | C15 | H151 | 108.8° | 109.5° |
| N14 | C15 | H152 | 108.8° | 109.6° |
| N17 | C18 | O33 | 119.1° | 120.0° |
| C18 | N17 | C16 | 123.4° | 120.9° |
| C31 | C22 | C23 | 112.8° | 109.5° |
| C22 | C31 | C30 | 111.8° | 109.3° |
| C31 | C22 | H221 | 108.7° | 109.4° |
| C22 | C31 | H311 | 108.9° | 109.5° |
| C22 | C31 | H312 | 108.9° | 109.5° |
| C22 | C23 | C24 | 112.9° | 109.3° |
| C23 | C22 | H221 | 108.6° | 109.5° |
| C22 | C23 | H231 | 108.6° | 109.5° |
| C22 | C23 | H232 | 108.6° | 109.5° |
| N17 | C16 | C15 | 112.8° | 108.5° |
| N17 | C16 | H162 | 108.6° | 109.7° |
| N17 | C16 | H161 | 108.6° | 109.8° |
| O29 | C26 | N25 | 119.8° | 120.0° |
| C42 | O41 | C40 | 113.5° | 113.7° |
| O41 | C42 | H422 | 108.6° | 109.5° |
| O41 | C42 | H421 | 108.5° | 109.5° |
| C26 | N25 | C30 | 125.6° | 120.7° |
| C26 | N25 | C24 | 125.7° | 120.6° |
| N38 | C39 | C40 | 113.5° | 109.2° |
| N38 | C39 | H392 | 108.5° | 109.5° |
| N38 | C39 | H391 | 108.5° | 109.5° |
| C31 | C30 | N25 | 110.3° | 108.8° |
| C31 | C30 | H302 | 109.3° | 109.6° |
| C31 | C30 | H301 | 109.3° | 109.6° |
| C30 | C31 | H311 | 108.9° | 109.5° |
| C30 | C31 | H312 | 108.9° | 109.5° |
| C16 | C15 | H151 | 108.8° | 109.5° |
| C16 | C15 | H152 | 108.8° | 109.5° |
| C15 | C16 | H162 | 108.6° | 109.6° |
| C15 | C16 | H161 | 108.6° | 109.7° |
| C23 | C24 | N25 | 109.4° | 108.7° |
| C23 | C24 | H241 | 109.5° | 109.6° |
| C23 | C24 | H242 | 109.5° | 109.6° |
| C24 | C23 | H231 | 108.6° | 109.5° |
| C24 | C23 | H232 | 108.6° | 109.5° |
| O41 | C40 | C39 | 114.1° | 109.3° |
| O41 | C40 | H401 | 108.3° | 109.5° |
| O41 | C40 | H402 | 108.3° | 109.6° |
| C30 | N25 | C24 | 108.7° | 118.7° |
| N25 | C30 | H302 | 109.3° | 109.6° |
| N25 | C30 | H301 | 109.3° | 109.7° |
| N25 | C24 | H241 | 109.5° | 109.6° |
| N25 | C24 | H242 | 109.5° | 109.7° |
| C40 | C39 | H392 | 108.5° | 109.5° |
| C40 | C39 | H391 | 108.5° | 109.5° |
| C39 | C40 | H401 | 108.3° | 109.5° |
| C39 | C40 | H402 | 108.3° | 109.5° |
| H151 | C15 | H152 | 109.4° | 109.4° |
| H241 | C24 | H242 | 109.5° | 109.6° |
| H281 | C28 | H282 | 120.0° | 120.0° |
| H162 | C16 | H161 | 109.4° | 109.6° |
| H191 | C19 | H192 | 109.5° | 109.5° |
| H231 | C23 | H232 | 109.5° | 109.5° |
| H302 | C30 | H301 | 109.5° | 109.5° |
| H311 | C31 | H312 | 109.5° | 109.6° |
| H341 | C34 | H342 | 109.5° | 109.6° |
| H352 | C35 | H351 | 109.5° | 109.5° |
| H392 | C39 | H391 | 109.4° | 109.6° |
| H401 | C40 | H402 | 109.5° | 109.5° |
| H422 | C42 | H421 | 109.5° | 109.5° |
| H432 | C43 | H431 | 109.5° | 109.5° |
| H011 | N01 | H012 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N01 | C02 | N08 | N03 | 179.8° | 179.4° |
| N01 | C02 | N08 | C09 | 179.8° | 179.8° |
| N01 | C02 | N03 | C04 | 180.0° | 180.0° |
| C02 | N01 | H011 | H012 | 120.0° | 180.0° |
| C02 | N08 | C09 | C10 | 0.1° | 0.5° |
| N08 | C02 | N03 | C04 | 0.2° | 0.6° |
| C02 | N08 | C09 | H091 | 179.9° | 179.5° |
| N08 | C02 | N01 | H011 | 0.0° | 179.5° |
| N08 | C02 | N01 | H012 | 120.0° | 0.5° |
| C09 | N08 | C02 | N03 | 0.1° | 0.9° |
| N08 | C09 | C10 | H091 | 180.0° | 180.0° |
| N08 | C09 | C10 | C04 | 0.0° | 0.0° |
| N08 | C09 | C10 | C11 | 179.7° | 179.8° |
| C02 | N03 | C04 | C10 | 0.3° | 0.1° |
| C02 | N03 | C04 | C05 | 179.8° | 180.0° |
| N03 | C02 | N01 | H011 | 179.8° | 0.1° |
| N03 | C02 | N01 | H012 | 60.2° | 179.9° |
| C09 | C10 | C04 | N03 | 0.1° | 0.2° |
| C09 | C10 | C04 | C11 | 179.7° | 179.8° |
| C09 | C10 | C04 | C05 | 179.6° | 179.7° |
| C09 | C10 | C11 | N12 | 143.1° | 128.1° |
| C09 | C10 | C11 | N44 | 36.0° | 52.0° |
| N03 | C04 | C10 | C05 | 179.5° | 179.9° |
| N03 | C04 | C10 | C11 | 179.6° | 180.0° |
| N03 | C04 | C05 | F06 | 2.1° | 142.9° |
| N03 | C04 | C05 | F07 | 122.3° | 22.9° |
| N03 | C04 | C05 | H051 | 117.4° | 97.1° |
| C10 | C04 | C05 | F06 | 178.4° | 37.0° |
| C04 | C10 | C11 | N12 | 36.6° | 52.1° |
| C04 | C10 | C11 | N44 | 144.3° | 127.8° |
| C10 | C04 | C05 | F07 | 58.2° | 157.0° |
| C10 | C04 | C05 | H051 | 62.1° | 83.0° |
| C04 | C10 | C09 | H091 | 179.9° | 180.0° |
| C11 | C10 | C04 | C05 | 0.1° | 0.1° |
| C10 | C11 | N12 | N44 | 179.1° | 179.9° |
| C10 | C11 | N12 | C13 | 179.9° | 180.0° |
| C10 | C11 | N44 | C37 | 179.7° | 180.0° |
| C11 | C10 | C09 | H091 | 0.2° | 0.2° |
| C04 | C05 | F06 | F07 | 121.3° | 120.1° |
| C04 | C05 | F06 | H051 | 118.3° | 120.0° |
| C04 | C05 | F07 | H051 | 119.0° | 120.0° |
| F06 | C05 | F07 | H051 | 120.3° | 119.9° |
| N12 | C11 | N44 | C37 | 0.6° | 0.0° |
| C11 | N12 | C13 | N14 | 179.9° | 180.0° |
| C11 | N12 | C13 | N36 | 0.8° | 0.1° |
| N44 | C11 | N12 | C13 | 0.9° | 0.0° |
| C11 | N44 | C37 | N36 | 0.3° | 0.0° |
| C11 | N44 | C37 | N38 | 179.9° | 179.9° |
| C28 | C27 | C26 | H271 | 180.0° | 180.0° |
| C28 | C27 | C26 | O29 | 96.8° | 5.5° |
| C28 | C27 | C26 | N25 | 83.7° | 174.4° |
| C27 | C28 | H281 | H282 | 180.0° | 179.9° |
| N20 | C19 | C18 | H191 | 120.0° | 119.9° |
| N20 | C19 | C18 | H192 | 120.0° | 120.1° |
| C19 | N20 | C21 | H201 | 180.0° | 179.9° |
| C19 | N20 | C21 | O32 | 0.4° | 0.1° |
| C19 | N20 | C21 | C22 | 179.8° | 180.0° |
| N20 | C19 | C18 | N17 | 138.1° | 180.0° |
| N20 | C19 | C18 | O33 | 42.0° | 0.1° |
| N20 | C19 | H191 | H192 | 120.1° | 120.1° |
| C18 | C19 | N20 | C21 | 72.0° | 180.0° |
| C19 | C18 | N17 | C34 | 0.3° | 180.0° |
| C19 | C18 | N17 | O33 | 179.9° | 179.9° |
| C19 | C18 | N17 | C16 | 179.9° | 0.1° |
| C18 | C19 | H191 | H192 | 120.1° | 120.0° |
| C18 | C19 | N20 | H201 | 108.0° | 0.1° |
| C34 | C35 | N14 | H352 | 120.5° | 120.0° |
| C34 | C35 | N14 | H351 | 120.5° | 119.9° |
| C35 | C34 | N17 | H341 | 120.4° | 119.7° |
| C35 | C34 | N17 | H342 | 120.4° | 120.0° |
| C34 | C35 | N14 | C13 | 166.7° | 172.8° |
| C34 | C35 | N14 | C15 | 55.2° | 63.1° |
| C35 | C34 | N17 | C18 | 126.9° | 128.9° |
| C35 | C34 | N17 | C16 | 53.5° | 51.2° |
| C35 | C34 | H341 | H342 | 118.8° | 120.6° |
| C34 | C35 | H352 | H351 | 118.6° | 120.1° |
| C35 | N14 | C13 | N12 | 44.1° | 0.0° |
| N14 | C35 | C34 | N17 | 56.2° | 53.8° |
| C35 | N14 | C13 | C15 | 132.8° | 124.3° |
| C35 | N14 | C13 | N36 | 135.3° | 180.0° |
| C35 | N14 | C15 | C16 | 54.1° | 63.1° |
| C35 | N14 | C15 | H151 | 174.6° | 56.9° |
| C35 | N14 | C15 | H152 | 66.3° | 176.9° |
| N14 | C35 | C34 | H341 | 176.6° | 173.5° |
| N14 | C35 | C34 | H342 | 64.2° | 66.0° |
| N14 | C35 | H352 | H351 | 118.6° | 120.0° |
| N12 | C13 | N14 | N36 | 179.4° | 180.0° |
| N12 | C13 | N36 | C37 | 0.4° | 0.0° |
| N12 | C13 | N14 | C15 | 176.8° | 124.3° |
| N44 | C37 | N38 | C43 | 42.5° | 4.4° |
| N44 | C37 | N36 | C13 | 0.2° | 0.0° |
| N44 | C37 | N36 | N38 | 179.9° | 180.0° |
| N44 | C37 | N38 | C39 | 173.9° | 128.1° |
| N20 | C21 | O32 | C22 | 179.8° | 179.9° |
| N20 | C21 | C22 | C31 | 161.4° | 180.0° |
| N20 | C21 | C22 | C23 | 37.6° | 59.9° |
| N20 | C21 | C22 | H221 | 79.8° | 60.1° |
| C21 | N20 | C19 | H191 | 168.0° | 60.1° |
| C21 | N20 | C19 | H192 | 48.0° | 60.0° |
| C34 | N17 | C18 | C16 | 179.5° | 179.9° |
| C34 | N17 | C18 | O33 | 179.8° | 0.1° |
| C34 | N17 | C16 | C15 | 53.1° | 51.2° |
| C34 | N17 | C16 | H162 | 173.6° | 68.5° |
| C34 | N17 | C16 | H161 | 67.4° | 171.0° |
| N17 | C34 | H341 | H342 | 118.8° | 120.4° |
| N17 | C34 | C35 | H352 | 176.7° | 173.8° |
| N17 | C34 | C35 | H351 | 64.3° | 66.0° |
| O32 | C21 | C22 | C31 | 18.8° | 0.0° |
| O32 | C21 | C22 | C23 | 142.6° | 120.0° |
| O32 | C21 | C22 | H221 | 100.0° | 120.0° |
| O32 | C21 | N20 | H201 | 179.6° | 180.0° |
| C21 | C22 | C31 | C23 | 121.1° | 120.0° |
| C21 | C22 | C31 | H221 | 118.3° | 119.9° |
| C21 | C22 | C23 | H221 | 117.0° | 120.0° |
| C21 | C22 | C31 | C30 | 169.9° | 178.6° |
| C21 | C22 | C23 | C24 | 172.8° | 178.6° |
| C21 | C22 | C23 | H231 | 66.7° | 58.7° |
| C21 | C22 | C23 | H232 | 52.3° | 61.4° |
| C21 | C22 | C31 | H311 | 49.6° | 61.5° |
| C21 | C22 | C31 | H312 | 69.7° | 58.7° |
| C22 | C21 | N20 | H201 | 0.2° | 0.1° |
| C42 | C43 | N38 | H432 | 120.7° | 119.9° |
| C42 | C43 | N38 | H431 | 120.7° | 119.9° |
| C42 | C43 | N38 | C37 | 171.5° | 177.6° |
| C43 | C42 | O41 | H422 | 120.5° | 119.9° |
| C43 | C42 | O41 | H421 | 120.5° | 120.0° |
| C42 | C43 | N38 | C39 | 52.7° | 58.6° |
| C43 | C42 | O41 | C40 | 49.1° | 58.7° |
| C43 | C42 | H422 | H421 | 118.3° | 120.2° |
| C42 | C43 | H432 | H431 | 117.9° | 120.0° |
| C43 | N38 | C37 | N36 | 137.4° | 175.6° |
| C43 | N38 | C37 | C39 | 131.4° | 123.7° |
| N38 | C43 | C42 | O41 | 52.7° | 56.8° |
| C43 | N38 | C39 | C40 | 52.2° | 58.6° |
| C43 | N38 | C39 | H392 | 68.4° | 178.5° |
| C43 | N38 | C39 | H391 | 172.9° | 61.3° |
| N38 | C43 | C42 | H422 | 67.9° | 63.1° |
| N38 | C43 | C42 | H421 | 173.3° | 176.8° |
| N38 | C43 | H432 | H431 | 117.9° | 120.1° |
| N14 | C13 | N36 | C37 | 179.8° | 180.0° |
| C13 | N14 | C15 | C16 | 168.0° | 172.8° |
| C13 | N14 | C15 | H151 | 47.6° | 67.3° |
| C13 | N14 | C15 | H152 | 71.6° | 52.8° |
| C13 | N14 | C35 | H352 | 46.2° | 52.7° |
| C13 | N14 | C35 | H351 | 72.8° | 67.4° |
| C13 | N36 | C37 | N38 | 180.0° | 179.9° |
| N36 | C13 | N14 | C15 | 2.5° | 55.7° |
| N36 | C37 | N38 | C39 | 6.0° | 52.0° |
| C37 | N38 | C39 | C40 | 170.8° | 177.6° |
| C37 | N38 | C39 | H392 | 68.6° | 57.7° |
| C37 | N38 | C39 | H391 | 50.2° | 62.5° |
| C37 | N38 | C43 | H432 | 67.8° | 62.5° |
| C37 | N38 | C43 | H431 | 50.8° | 57.7° |
| C27 | C26 | O29 | N25 | 179.5° | 179.9° |
| C27 | C26 | N25 | C30 | 1.2° | 175.0° |
| C27 | C26 | N25 | C24 | 179.3° | 5.0° |
| C26 | C27 | C28 | H281 | 0.0° | 0.0° |
| C26 | C27 | C28 | H282 | 180.0° | 180.0° |
| N14 | C15 | C16 | N17 | 54.7° | 53.8° |
| N14 | C15 | C16 | H151 | 120.4° | 120.0° |
| N14 | C15 | C16 | H152 | 120.4° | 120.0° |
| N14 | C15 | H151 | H152 | 118.8° | 120.1° |
| N14 | C15 | C16 | H162 | 175.2° | 65.9° |
| N14 | C15 | C16 | H161 | 65.9° | 173.7° |
| C15 | N14 | C35 | H352 | 175.6° | 176.9° |
| C15 | N14 | C35 | H351 | 65.3° | 56.8° |
| C18 | N17 | C16 | C15 | 127.3° | 128.9° |
| C18 | N17 | C16 | H162 | 6.8° | 111.4° |
| C18 | N17 | C16 | H161 | 112.1° | 9.1° |
| N17 | C18 | C19 | H191 | 18.1° | 60.1° |
| N17 | C18 | C19 | H192 | 101.9° | 59.9° |
| C18 | N17 | C34 | H341 | 6.5° | 9.2° |
| C18 | N17 | C34 | H342 | 112.7° | 111.2° |
| O33 | C18 | N17 | C16 | 0.3° | 180.0° |
| O33 | C18 | C19 | H191 | 162.0° | 120.0° |
| O33 | C18 | C19 | H192 | 77.9° | 120.0° |
| C31 | C22 | C23 | H221 | 120.6° | 120.0° |
| C22 | C31 | C30 | H311 | 120.4° | 119.9° |
| C22 | C31 | C30 | H312 | 120.4° | 119.9° |
| C31 | C22 | C23 | C24 | 50.4° | 61.4° |
| C22 | C31 | C30 | N25 | 7.0° | 54.6° |
| C31 | C22 | C23 | H231 | 170.9° | 178.7° |
| C31 | C22 | C23 | H232 | 70.1° | 58.6° |
| C22 | C31 | C30 | H302 | 113.1° | 174.4° |
| C22 | C31 | C30 | H301 | 127.1° | 65.4° |
| C22 | C31 | H311 | H312 | 118.9° | 120.1° |
| C23 | C22 | C31 | C30 | 48.8° | 61.4° |
| C22 | C23 | C24 | H231 | 120.5° | 119.9° |
| C22 | C23 | C24 | H232 | 120.5° | 120.0° |
| C22 | C23 | C24 | N25 | 4.9° | 54.7° |
| C22 | C23 | C24 | H241 | 124.8° | 65.1° |
| C22 | C23 | C24 | H242 | 115.2° | 174.6° |
| C22 | C23 | H231 | H232 | 118.4° | 120.1° |
| C23 | C22 | C31 | H311 | 71.5° | 58.6° |
| C23 | C22 | C31 | H312 | 169.2° | 178.7° |
| N17 | C16 | C15 | H162 | 120.5° | 119.7° |
| N17 | C16 | C15 | H161 | 120.5° | 119.9° |
| N17 | C16 | C15 | H151 | 175.1° | 66.2° |
| N17 | C16 | C15 | H152 | 65.8° | 173.9° |
| N17 | C16 | H162 | H161 | 118.5° | 120.6° |
| C16 | N17 | C34 | H341 | 173.9° | 170.9° |
| C16 | N17 | C34 | H342 | 66.9° | 68.7° |
| O29 | C26 | N25 | C30 | 179.3° | 5.1° |
| O29 | C26 | N25 | C24 | 1.2° | 174.9° |
| O29 | C26 | C27 | H271 | 83.2° | 174.5° |
| C42 | O41 | C40 | C39 | 49.6° | 58.7° |
| C42 | O41 | C40 | H401 | 71.1° | 178.6° |
| C42 | O41 | C40 | H402 | 170.3° | 61.3° |
| O41 | C42 | H422 | H421 | 118.3° | 120.1° |
| O41 | C42 | C43 | H432 | 68.0° | 63.1° |
| O41 | C42 | C43 | H431 | 173.4° | 176.8° |
| C26 | N25 | C30 | C31 | 116.0° | 126.3° |
| C26 | N25 | C24 | C23 | 117.6° | 126.4° |
| C26 | N25 | C30 | C24 | 178.4° | 179.9° |
| C26 | N25 | C24 | H241 | 2.4° | 113.9° |
| C26 | N25 | C24 | H242 | 122.4° | 6.5° |
| N25 | C26 | C27 | H271 | 96.3° | 5.6° |
| C26 | N25 | C30 | H302 | 123.8° | 6.5° |
| C26 | N25 | C30 | H301 | 4.1° | 113.8° |
| N38 | C39 | C40 | O41 | 52.9° | 56.9° |
| N38 | C39 | C40 | H392 | 120.6° | 119.9° |
| N38 | C39 | C40 | H391 | 120.6° | 119.9° |
| N38 | C39 | H392 | H391 | 118.2° | 120.2° |
| N38 | C39 | C40 | H401 | 67.8° | 176.7° |
| N38 | C39 | C40 | H402 | 173.6° | 63.2° |
| C39 | N38 | C43 | H432 | 68.0° | 61.3° |
| C39 | N38 | C43 | H431 | 173.4° | 178.5° |
| C31 | C30 | N25 | H302 | 120.1° | 119.8° |
| C31 | C30 | N25 | H301 | 120.1° | 119.9° |
| C31 | C30 | N25 | C24 | 62.3° | 53.6° |
| C30 | C31 | C22 | H221 | 71.7° | 58.7° |
| C31 | C30 | H302 | H301 | 119.6° | 120.3° |
| C30 | C31 | H311 | H312 | 118.9° | 120.1° |
| C16 | C15 | H151 | H152 | 118.7° | 120.0° |
| C15 | C16 | H162 | H161 | 118.4° | 120.4° |
| C23 | C24 | N25 | C30 | 60.8° | 53.6° |
| C23 | C24 | N25 | H241 | 120.0° | 119.8° |
| C23 | C24 | N25 | H242 | 120.0° | 119.9° |
| C24 | C23 | C22 | H221 | 70.2° | 58.6° |
| C23 | C24 | H241 | H242 | 120.0° | 120.3° |
| C24 | C23 | H231 | H232 | 118.5° | 120.1° |
| O41 | C40 | C39 | H401 | 120.7° | 119.9° |
| O41 | C40 | C39 | H402 | 120.7° | 120.0° |
| O41 | C40 | C39 | H392 | 67.7° | 176.8° |
| O41 | C40 | C39 | H391 | 173.5° | 63.1° |
| O41 | C40 | H401 | H402 | 117.9° | 120.1° |
| C40 | O41 | C42 | H422 | 71.5° | 61.3° |
| C40 | O41 | C42 | H421 | 169.6° | 178.6° |
| C30 | N25 | C24 | H241 | 179.2° | 66.2° |
| C30 | N25 | C24 | H242 | 59.2° | 173.5° |
| N25 | C30 | H302 | H301 | 119.7° | 120.4° |
| N25 | C30 | C31 | H311 | 127.3° | 65.3° |
| N25 | C30 | C31 | H312 | 113.4° | 174.6° |
| N25 | C24 | H241 | H242 | 120.0° | 120.5° |
| N25 | C24 | C23 | H231 | 115.6° | 174.6° |
| N25 | C24 | C23 | H232 | 125.3° | 65.4° |
| C24 | N25 | C30 | H302 | 57.8° | 173.4° |
| C24 | N25 | C30 | H301 | 177.6° | 66.3° |
| C40 | C39 | H392 | H391 | 118.2° | 120.1° |
| C39 | C40 | H401 | H402 | 117.9° | 120.1° |
| H151 | C15 | C16 | H162 | 64.4° | 174.1° |
| H151 | C15 | C16 | H161 | 54.6° | 53.7° |
| H152 | C15 | C16 | H162 | 54.7° | 54.2° |
| H152 | C15 | C16 | H161 | 173.7° | 66.2° |
| H221 | C22 | C23 | H231 | 50.3° | 61.3° |
| H221 | C22 | C23 | H232 | 169.3° | 178.6° |
| H221 | C22 | C31 | H311 | 167.9° | 178.6° |
| H221 | C22 | C31 | H312 | 48.6° | 61.3° |
| H241 | C24 | C23 | H231 | 4.3° | 54.8° |
| H241 | C24 | C23 | H232 | 114.7° | 174.9° |
| H242 | C24 | C23 | H231 | 124.3° | 65.5° |
| H242 | C24 | C23 | H232 | 5.3° | 54.6° |
| H281 | C28 | C27 | H271 | 180.0° | 180.0° |
| H282 | C28 | C27 | H271 | 0.0° | 0.1° |
| H191 | C19 | N20 | H201 | 12.0° | 120.0° |
| H192 | C19 | N20 | H201 | 132.0° | 119.9° |
| H302 | C30 | C31 | H311 | 7.2° | 54.5° |
| H302 | C30 | C31 | H312 | 126.5° | 65.6° |
| H301 | C30 | C31 | H311 | 112.5° | 174.7° |
| H301 | C30 | C31 | H312 | 6.8° | 54.6° |
| H341 | C34 | C35 | H352 | 62.9° | 66.5° |
| H341 | C34 | C35 | H351 | 56.1° | 53.6° |
| H342 | C34 | C35 | H352 | 56.2° | 54.0° |
| H342 | C34 | C35 | H351 | 175.3° | 174.1° |
| H392 | C39 | C40 | H401 | 171.6° | 63.3° |
| H392 | C39 | C40 | H402 | 53.0° | 56.8° |
| H391 | C39 | C40 | H401 | 52.8° | 56.8° |
| H391 | C39 | C40 | H402 | 65.8° | 176.9° |
| H422 | C42 | C43 | H432 | 171.5° | 176.9° |
| H422 | C42 | C43 | H431 | 52.9° | 56.9° |
| H421 | C42 | C43 | H432 | 52.6° | 56.8° |
| H421 | C42 | C43 | H431 | 66.0° | 63.3° |
