RNX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N01 | C02 | sing | 1.38Å | 1.46Å | |
| N08 | C02 | doub | 1.33Å | 1.32Å | Aromatic |
| N08 | C09 | sing | 1.32Å | 1.32Å | Aromatic |
| C02 | N03 | sing | 1.33Å | 1.32Å | Aromatic |
| C09 | C10 | doub | 1.40Å | 1.40Å | Aromatic |
| N03 | C04 | doub | 1.32Å | 1.33Å | Aromatic |
| C10 | C04 | sing | 1.40Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.48Å | 1.54Å | |
| C04 | C05 | sing | 1.51Å | 1.51Å | |
| F07 | C05 | sing | 1.40Å | 1.36Å | |
| C11 | N12 | doub | 1.33Å | 1.33Å | Aromatic |
| C11 | N44 | sing | 1.33Å | 1.31Å | Aromatic |
| C19 | O20 | sing | 1.43Å | 1.40Å | |
| C19 | C18 | sing | 1.51Å | 1.54Å | |
| N12 | C13 | sing | 1.33Å | 1.31Å | Aromatic |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | N14 | sing | 1.47Å | 1.51Å | |
| C05 | F06 | sing | 1.40Å | 1.39Å | |
| O20 | C21 | sing | 1.43Å | 1.42Å | |
| N44 | C36 | doub | 1.33Å | 1.32Å | Aromatic |
| O29 | C26 | doub | 1.22Å | 1.19Å | |
| C31 | C30 | sing | 1.53Å | 1.53Å | |
| C31 | C22 | sing | 1.53Å | 1.48Å | |
| C38 | C39 | sing | 1.53Å | 1.53Å | |
| C38 | N37 | sing | 1.47Å | 1.47Å | |
| C13 | N14 | sing | 1.38Å | 1.46Å | |
| C13 | N35 | doub | 1.33Å | 1.32Å | Aromatic |
| C16 | N17 | sing | 1.47Å | 1.40Å | |
| C36 | N35 | sing | 1.33Å | 1.32Å | Aromatic |
| C36 | N37 | sing | 1.38Å | 1.46Å | |
| N14 | C34 | sing | 1.47Å | 1.50Å | |
| C18 | N17 | sing | 1.35Å | 1.44Å | |
| C18 | O32 | doub | 1.21Å | 1.18Å | |
| C30 | N25 | sing | 1.47Å | 1.49Å | |
| C28 | C27 | doub | 1.33Å | 1.53Å | |
| C26 | N25 | sing | 1.35Å | 1.45Å | |
| C26 | C27 | sing | 1.47Å | 1.53Å | |
| C39 | O40 | sing | 1.43Å | 1.39Å | |
| N17 | C33 | sing | 1.47Å | 1.40Å | |
| N37 | C42 | sing | 1.47Å | 1.46Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C22 | C23 | sing | 1.53Å | 1.49Å | |
| C34 | C33 | sing | 1.53Å | 1.51Å | |
| N25 | C24 | sing | 1.47Å | 1.50Å | |
| O40 | C41 | sing | 1.43Å | 1.38Å | |
| C42 | C41 | sing | 1.53Å | 1.52Å | |
| C42 | C43 | sing | 1.53Å | 1.53Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.08Å | 1.08Å | |
| C28 | H281 | 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 | H272 | 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 | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| C42 | H421 | sing | 1.09Å | 1.10Å | |
| C43 | H431 | sing | 1.09Å | 1.10Å | |
| C43 | H432 | sing | 1.09Å | 1.10Å | |
| C43 | H433 | 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 | 120.4° | 119.0° |
| N01 | C02 | N03 | 116.9° | 119.1° |
| C02 | N01 | H012 | 109.5° | 120.0° |
| C02 | N01 | H011 | 109.5° | 120.0° |
| C02 | N08 | C09 | 122.9° | 120.9° |
| N08 | C02 | N03 | 122.7° | 121.9° |
| N08 | C09 | C10 | 117.0° | 119.0° |
| N08 | C09 | H091 | 121.5° | 120.5° |
| C02 | N03 | C04 | 118.2° | 120.9° |
| C09 | C10 | C04 | 118.3° | 118.3° |
| C09 | C10 | C11 | 120.3° | 120.8° |
| C10 | C09 | H091 | 121.5° | 120.5° |
| N03 | C04 | C10 | 120.9° | 119.0° |
| N03 | C04 | C05 | 122.1° | 120.5° |
| C04 | C10 | C11 | 121.5° | 120.9° |
| C10 | C04 | C05 | 117.0° | 120.5° |
| C10 | C11 | N12 | 118.1° | 120.0° |
| C10 | C11 | N44 | 121.8° | 120.0° |
| C04 | C05 | F07 | 110.6° | 109.5° |
| C04 | C05 | F06 | 119.8° | 109.5° |
| C04 | C05 | H051 | 104.6° | 109.4° |
| F07 | C05 | F06 | 108.7° | 109.5° |
| F07 | C05 | H051 | 106.3° | 109.5° |
| N12 | C11 | N44 | 120.1° | 119.9° |
| C11 | N12 | C13 | 120.8° | 120.0° |
| C11 | N44 | C36 | 119.3° | 120.0° |
| O20 | C19 | C18 | 111.3° | 109.5° |
| C19 | O20 | C21 | 117.3° | 114.0° |
| O20 | C19 | H191 | 109.0° | 109.4° |
| O20 | C19 | H192 | 109.0° | 109.5° |
| C19 | C18 | N17 | 120.6° | 120.0° |
| C19 | C18 | O32 | 124.0° | 120.0° |
| C18 | C19 | H191 | 109.0° | 109.5° |
| C18 | C19 | H192 | 109.0° | 109.5° |
| N12 | C13 | N14 | 120.5° | 120.0° |
| N12 | C13 | N35 | 118.9° | 120.0° |
| C16 | C15 | N14 | 110.5° | 109.3° |
| C15 | C16 | N17 | 107.4° | 108.5° |
| C16 | C15 | H151 | 109.2° | 109.5° |
| C16 | C15 | H152 | 109.2° | 109.5° |
| C15 | C16 | H162 | 110.0° | 109.6° |
| C15 | C16 | H161 | 110.0° | 109.7° |
| C15 | N14 | C13 | 123.1° | 111.0° |
| C15 | N14 | C34 | 109.1° | 111.3° |
| N14 | C15 | H151 | 109.2° | 109.4° |
| N14 | C15 | H152 | 109.2° | 109.5° |
| F06 | C05 | H051 | 105.9° | 109.4° |
| O20 | C21 | C22 | 109.8° | 109.5° |
| O20 | C21 | H212 | 109.4° | 109.5° |
| O20 | C21 | H211 | 109.4° | 109.4° |
| N44 | C36 | N35 | 120.3° | 120.0° |
| N44 | C36 | N37 | 119.1° | 120.1° |
| O29 | C26 | N25 | 119.8° | 120.0° |
| O29 | C26 | C27 | 120.8° | 120.0° |
| C30 | C31 | C22 | 111.2° | 109.3° |
| C31 | C30 | N25 | 104.0° | 108.8° |
| C31 | C30 | H302 | 110.8° | 109.6° |
| C31 | C30 | H301 | 110.8° | 109.7° |
| C30 | C31 | H311 | 109.0° | 109.5° |
| C30 | C31 | H312 | 109.0° | 109.5° |
| C31 | C22 | C21 | 104.0° | 109.4° |
| C31 | C22 | C23 | 111.5° | 109.5° |
| C31 | C22 | H221 | 109.6° | 109.5° |
| C22 | C31 | H311 | 109.0° | 109.5° |
| C22 | C31 | H312 | 109.0° | 109.6° |
| C39 | C38 | N37 | 110.9° | 109.2° |
| C38 | C39 | O40 | 113.2° | 109.3° |
| C39 | C38 | H382 | 109.1° | 109.5° |
| C39 | C38 | H381 | 109.1° | 109.5° |
| C38 | C39 | H391 | 108.5° | 109.5° |
| C38 | C39 | H392 | 108.5° | 109.5° |
| C38 | N37 | C36 | 119.2° | 110.9° |
| C38 | N37 | C42 | 104.5° | 110.7° |
| N37 | C38 | H382 | 109.1° | 109.6° |
| N37 | C38 | H381 | 109.1° | 109.5° |
| N14 | C13 | N35 | 120.5° | 120.0° |
| C13 | N14 | C34 | 117.5° | 111.0° |
| C13 | N35 | C36 | 120.5° | 120.0° |
| C16 | N17 | C18 | 124.3° | 120.8° |
| C16 | N17 | C33 | 114.5° | 118.2° |
| N17 | C16 | H162 | 110.0° | 109.6° |
| N17 | C16 | H161 | 110.0° | 109.6° |
| N35 | C36 | N37 | 120.6° | 119.9° |
| C36 | N37 | C42 | 116.3° | 111.0° |
| N14 | C34 | C33 | 110.7° | 109.4° |
| N14 | C34 | H342 | 109.2° | 109.5° |
| N14 | C34 | H341 | 109.2° | 109.6° |
| N17 | C18 | O32 | 115.4° | 120.0° |
| C18 | N17 | C33 | 121.1° | 120.9° |
| C30 | N25 | C26 | 125.3° | 120.6° |
| C30 | N25 | C24 | 110.1° | 118.7° |
| N25 | C30 | H302 | 110.8° | 109.6° |
| N25 | C30 | H301 | 110.8° | 109.6° |
| C28 | C27 | C26 | 115.9° | 120.0° |
| C27 | C28 | H282 | 120.0° | 120.0° |
| C27 | C28 | H281 | 120.0° | 120.0° |
| C28 | C27 | H272 | 122.0° | 120.0° |
| N25 | C26 | C27 | 119.3° | 120.0° |
| C26 | N25 | C24 | 124.6° | 120.6° |
| C26 | C27 | H272 | 122.1° | 120.0° |
| C39 | O40 | C41 | 113.2° | 113.7° |
| O40 | C39 | H391 | 108.5° | 109.5° |
| O40 | C39 | H392 | 108.5° | 109.5° |
| N17 | C33 | C34 | 109.1° | 108.6° |
| N17 | C33 | H331 | 109.5° | 109.6° |
| N17 | C33 | H332 | 109.5° | 109.8° |
| N37 | C42 | C41 | 116.7° | 109.3° |
| N37 | C42 | C43 | 108.6° | 109.5° |
| N37 | C42 | H421 | 109.9° | 109.6° |
| C21 | C22 | C23 | 113.4° | 109.5° |
| C22 | C21 | H212 | 109.4° | 109.5° |
| C22 | C21 | H211 | 109.4° | 109.5° |
| C21 | C22 | H221 | 108.9° | 109.5° |
| C22 | C23 | C24 | 112.0° | 109.3° |
| C23 | C22 | H221 | 109.4° | 109.5° |
| C22 | C23 | H231 | 108.8° | 109.5° |
| C22 | C23 | H232 | 108.9° | 109.5° |
| C34 | C33 | H331 | 109.6° | 109.6° |
| C34 | C33 | H332 | 109.6° | 109.7° |
| C33 | C34 | H342 | 109.1° | 109.4° |
| C33 | C34 | H341 | 109.2° | 109.5° |
| N25 | C24 | C23 | 112.7° | 108.8° |
| N25 | C24 | H242 | 108.6° | 109.6° |
| N25 | C24 | H241 | 108.6° | 109.7° |
| O40 | C41 | C42 | 115.3° | 109.2° |
| O40 | C41 | H411 | 108.0° | 109.5° |
| O40 | C41 | H412 | 108.0° | 109.5° |
| C41 | C42 | C43 | 103.4° | 109.5° |
| C42 | C41 | H411 | 108.0° | 109.5° |
| C42 | C41 | H412 | 108.0° | 109.6° |
| C41 | C42 | H421 | 109.0° | 109.5° |
| C43 | C42 | H421 | 108.8° | 109.5° |
| C42 | C43 | H431 | 109.5° | 109.4° |
| C42 | C43 | H432 | 109.5° | 109.5° |
| C42 | C43 | H433 | 109.5° | 109.4° |
| C23 | C24 | H242 | 108.7° | 109.6° |
| C23 | C24 | H241 | 108.7° | 109.6° |
| C24 | C23 | H231 | 108.8° | 109.5° |
| C24 | C23 | H232 | 108.8° | 109.5° |
| H151 | C15 | H152 | 109.5° | 109.5° |
| H212 | C21 | H211 | 109.5° | 109.4° |
| H242 | C24 | H241 | 109.5° | 109.6° |
| H282 | C28 | H281 | 120.0° | 120.1° |
| H162 | C16 | H161 | 109.4° | 109.8° |
| H191 | C19 | H192 | 109.5° | 109.5° |
| H231 | C23 | H232 | 109.5° | 109.5° |
| H302 | C30 | H301 | 109.5° | 109.6° |
| H311 | C31 | H312 | 109.5° | 109.5° |
| H331 | C33 | H332 | 109.5° | 109.6° |
| H342 | C34 | H341 | 109.5° | 109.4° |
| H382 | C38 | H381 | 109.5° | 109.6° |
| H391 | C39 | H392 | 109.5° | 109.5° |
| H411 | C41 | H412 | 109.5° | 109.5° |
| H431 | C43 | H432 | 109.5° | 109.5° |
| H431 | C43 | H433 | 109.5° | 109.5° |
| H432 | C43 | H433 | 109.5° | 109.5° |
| H012 | N01 | H011 | 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 | 179.7° | 179.8° |
| N01 | C02 | N03 | C04 | 179.7° | 180.0° |
| C02 | N01 | H012 | H011 | 120.0° | 179.9° |
| C02 | N08 | C09 | C10 | 0.3° | 0.5° |
| N08 | C02 | N03 | C04 | 0.6° | 0.6° |
| C02 | N08 | C09 | H091 | 179.7° | 179.5° |
| N08 | C02 | N01 | H012 | 0.0° | 179.5° |
| N08 | C02 | N01 | H011 | 120.0° | 0.5° |
| C09 | N08 | C02 | N03 | 0.1° | 0.8° |
| N08 | C09 | C10 | H091 | 180.0° | 179.9° |
| N08 | C09 | C10 | C04 | 1.2° | 0.1° |
| N08 | C09 | C10 | C11 | 179.9° | 179.7° |
| C02 | N03 | C04 | C10 | 1.5° | 0.0° |
| C02 | N03 | C04 | C05 | 179.5° | 179.9° |
| N03 | C02 | N01 | H012 | 179.8° | 0.1° |
| N03 | C02 | N01 | H011 | 60.2° | 180.0° |
| C09 | C10 | C04 | N03 | 1.9° | 0.3° |
| C09 | C10 | C04 | C11 | 178.7° | 179.7° |
| C09 | C10 | C04 | C05 | 179.1° | 179.7° |
| C09 | C10 | C11 | N12 | 141.5° | 130.4° |
| C09 | C10 | C11 | N44 | 38.4° | 49.6° |
| N03 | C04 | C10 | C05 | 179.1° | 179.9° |
| N03 | C04 | C10 | C11 | 179.4° | 180.0° |
| N03 | C04 | C05 | F07 | 95.5° | 139.8° |
| N03 | C04 | C05 | F06 | 32.1° | 19.7° |
| N03 | C04 | C05 | H051 | 150.5° | 100.2° |
| C10 | C04 | C05 | F07 | 83.5° | 40.2° |
| C04 | C10 | C11 | N12 | 39.8° | 49.2° |
| C04 | C10 | C11 | N44 | 140.3° | 130.7° |
| C10 | C04 | C05 | F06 | 148.9° | 160.2° |
| C10 | C04 | C05 | H051 | 30.5° | 79.9° |
| C04 | C10 | C09 | H091 | 178.8° | 180.0° |
| C11 | C10 | C04 | C05 | 0.4° | 0.1° |
| C10 | C11 | N12 | N44 | 179.9° | 180.0° |
| C10 | C11 | N12 | C13 | 179.1° | 179.9° |
| C10 | C11 | N44 | C36 | 179.1° | 180.0° |
| C11 | C10 | C09 | H091 | 0.1° | 0.3° |
| C04 | C05 | F07 | F06 | 133.5° | 120.0° |
| C04 | C05 | F07 | H051 | 112.9° | 120.0° |
| C04 | C05 | F06 | H051 | 117.7° | 119.9° |
| F07 | C05 | F06 | H051 | 113.9° | 120.0° |
| N12 | C11 | N44 | C36 | 1.0° | 0.0° |
| C11 | N12 | C13 | N14 | 178.4° | 180.0° |
| C11 | N12 | C13 | N35 | 0.7° | 0.1° |
| N44 | C11 | N12 | C13 | 1.0° | 0.0° |
| C11 | N44 | C36 | N35 | 0.7° | 0.0° |
| C11 | N44 | C36 | N37 | 180.0° | 180.0° |
| O20 | C19 | C18 | H191 | 120.3° | 120.0° |
| O20 | C19 | C18 | H192 | 120.3° | 120.0° |
| O20 | C19 | C18 | N17 | 152.3° | 180.0° |
| O20 | C19 | C18 | O32 | 27.0° | 0.0° |
| C19 | O20 | C21 | C22 | 165.4° | 180.0° |
| C19 | O20 | C21 | H212 | 74.6° | 59.9° |
| C19 | O20 | C21 | H211 | 45.3° | 60.1° |
| O20 | C19 | H191 | H192 | 119.2° | 120.0° |
| C18 | C19 | O20 | C21 | 31.8° | 180.0° |
| C19 | C18 | N17 | C16 | 3.4° | 180.0° |
| C19 | C18 | N17 | O32 | 179.4° | 180.0° |
| C19 | C18 | N17 | C33 | 179.8° | 0.1° |
| C18 | C19 | H191 | H192 | 119.2° | 120.0° |
| N12 | C13 | N14 | C15 | 33.8° | 15.4° |
| N12 | C13 | N14 | N35 | 179.1° | 180.0° |
| N12 | C13 | N35 | C36 | 0.4° | 0.1° |
| N12 | C13 | N14 | C34 | 175.2° | 108.9° |
| C16 | C15 | N14 | H151 | 120.1° | 119.9° |
| C16 | C15 | N14 | H152 | 120.1° | 120.0° |
| C16 | C15 | N14 | C13 | 160.7° | 172.7° |
| C15 | C16 | N17 | H162 | 119.7° | 119.7° |
| C15 | C16 | N17 | H161 | 119.7° | 119.7° |
| C16 | C15 | N14 | C34 | 55.1° | 63.1° |
| C15 | C16 | N17 | C18 | 114.1° | 128.8° |
| C15 | C16 | N17 | C33 | 62.9° | 51.2° |
| C16 | C15 | H151 | H152 | 119.5° | 120.1° |
| C15 | C16 | H162 | H161 | 121.0° | 120.6° |
| C15 | N14 | C13 | C34 | 141.4° | 124.3° |
| C15 | N14 | C13 | N35 | 147.1° | 164.6° |
| N14 | C15 | C16 | N17 | 57.7° | 53.9° |
| C15 | N14 | C34 | C33 | 54.0° | 63.1° |
| N14 | C15 | H151 | H152 | 119.5° | 120.1° |
| N14 | C15 | C16 | H162 | 177.4° | 173.5° |
| N14 | C15 | C16 | H161 | 61.9° | 65.8° |
| C15 | N14 | C34 | H342 | 174.1° | 56.8° |
| C15 | N14 | C34 | H341 | 66.2° | 176.9° |
| O20 | C21 | C22 | C31 | 45.7° | 64.9° |
| O20 | C21 | C22 | H212 | 120.0° | 120.1° |
| O20 | C21 | C22 | H211 | 120.1° | 119.9° |
| O20 | C21 | C22 | C23 | 166.9° | 175.1° |
| O20 | C21 | H212 | H211 | 119.9° | 120.0° |
| O20 | C21 | C22 | H221 | 71.1° | 55.1° |
| C21 | O20 | C19 | H191 | 88.4° | 60.0° |
| C21 | O20 | C19 | H192 | 152.1° | 60.0° |
| N44 | C36 | N37 | C38 | 46.6° | 60.8° |
| N44 | C36 | N35 | C13 | 0.4° | 0.1° |
| N44 | C36 | N35 | N37 | 179.2° | 180.0° |
| N44 | C36 | N37 | C42 | 173.3° | 62.8° |
| O29 | C26 | N25 | C30 | 3.3° | 5.6° |
| O29 | C26 | C27 | C28 | 82.1° | 1.0° |
| O29 | C26 | N25 | C27 | 178.1° | 180.0° |
| O29 | C26 | N25 | C24 | 179.8° | 174.4° |
| O29 | C26 | C27 | H272 | 97.9° | 179.1° |
| C30 | C31 | C22 | H311 | 120.2° | 119.9° |
| C30 | C31 | C22 | H312 | 120.3° | 119.9° |
| C31 | C30 | N25 | H302 | 119.1° | 119.8° |
| C31 | C30 | N25 | H301 | 119.1° | 119.9° |
| C31 | C30 | N25 | C26 | 114.9° | 126.4° |
| C30 | C31 | C22 | C21 | 108.0° | 178.6° |
| C30 | C31 | C22 | C23 | 14.5° | 61.4° |
| C31 | C30 | N25 | C24 | 62.0° | 53.6° |
| C30 | C31 | C22 | H221 | 135.7° | 58.6° |
| C31 | C30 | H302 | H301 | 122.5° | 120.4° |
| C30 | C31 | H311 | H312 | 119.2° | 120.0° |
| C22 | C31 | C30 | N25 | 69.1° | 54.7° |
| C31 | C22 | C21 | C23 | 121.2° | 120.0° |
| C31 | C22 | C21 | H221 | 116.8° | 120.0° |
| C31 | C22 | C23 | H221 | 121.3° | 120.0° |
| C31 | C22 | C23 | C24 | 43.9° | 61.4° |
| C31 | C22 | C21 | H212 | 74.4° | 175.0° |
| C31 | C22 | C21 | H211 | 165.7° | 55.0° |
| C31 | C22 | C23 | H231 | 76.5° | 58.6° |
| C31 | C22 | C23 | H232 | 164.2° | 178.7° |
| C22 | C31 | C30 | H302 | 171.8° | 65.1° |
| C22 | C31 | C30 | H301 | 50.1° | 174.5° |
| C22 | C31 | H311 | H312 | 119.2° | 120.2° |
| C39 | C38 | N37 | H382 | 120.2° | 119.9° |
| C39 | C38 | N37 | H381 | 120.2° | 119.9° |
| C39 | C38 | N37 | C36 | 169.8° | 177.7° |
| C38 | C39 | O40 | H391 | 120.6° | 119.9° |
| C38 | C39 | O40 | H392 | 120.6° | 119.9° |
| C39 | C38 | N37 | C42 | 58.1° | 58.6° |
| C38 | C39 | O40 | C41 | 50.3° | 58.7° |
| C39 | C38 | H382 | H381 | 119.3° | 120.1° |
| C38 | C39 | H391 | H392 | 118.3° | 120.1° |
| C38 | N37 | C36 | N35 | 132.7° | 119.2° |
| C38 | N37 | C36 | C42 | 126.7° | 123.5° |
| N37 | C38 | C39 | O40 | 61.6° | 56.9° |
| C38 | N37 | C42 | C41 | 51.4° | 58.7° |
| C38 | N37 | C42 | C43 | 167.7° | 178.6° |
| N37 | C38 | H382 | H381 | 119.3° | 120.2° |
| N37 | C38 | C39 | H391 | 58.9° | 63.1° |
| N37 | C38 | C39 | H392 | 177.8° | 176.8° |
| C38 | N37 | C42 | H421 | 73.3° | 61.3° |
| N14 | C13 | N35 | C36 | 178.7° | 180.0° |
| C13 | N14 | C34 | C33 | 159.6° | 172.8° |
| C13 | N14 | C15 | H151 | 40.6° | 52.8° |
| C13 | N14 | C15 | H152 | 79.1° | 67.3° |
| C13 | N14 | C34 | H342 | 39.4° | 67.3° |
| C13 | N14 | C34 | H341 | 80.2° | 52.7° |
| C13 | N35 | C36 | N37 | 179.7° | 180.0° |
| N35 | C13 | N14 | C34 | 5.7° | 71.1° |
| C16 | N17 | C18 | C33 | 176.8° | 180.0° |
| C16 | N17 | C18 | O32 | 177.3° | 0.0° |
| C16 | N17 | C33 | C34 | 62.6° | 51.2° |
| N17 | C16 | C15 | H151 | 177.9° | 173.7° |
| N17 | C16 | C15 | H152 | 62.4° | 66.2° |
| N17 | C16 | H162 | H161 | 120.9° | 120.5° |
| C16 | N17 | C33 | H331 | 177.5° | 68.6° |
| C16 | N17 | C33 | H332 | 57.4° | 171.1° |
| N35 | C36 | N37 | C42 | 6.0° | 117.2° |
| C36 | N37 | C42 | C41 | 174.9° | 177.6° |
| C36 | N37 | C42 | C43 | 58.6° | 57.7° |
| C36 | N37 | C38 | H382 | 69.9° | 62.4° |
| C36 | N37 | C38 | H381 | 49.6° | 57.8° |
| C36 | N37 | C42 | H421 | 60.4° | 62.3° |
| N14 | C34 | C33 | N17 | 56.1° | 53.8° |
| N14 | C34 | C33 | H342 | 120.2° | 119.9° |
| N14 | C34 | C33 | H341 | 120.2° | 120.1° |
| C34 | N14 | C15 | H151 | 175.3° | 177.0° |
| C34 | N14 | C15 | H152 | 65.0° | 56.9° |
| N14 | C34 | C33 | H331 | 176.0° | 65.9° |
| N14 | C34 | C33 | H332 | 63.8° | 173.7° |
| N14 | C34 | H342 | H341 | 119.5° | 120.1° |
| C18 | N17 | C33 | C34 | 114.5° | 128.8° |
| C18 | N17 | C16 | H162 | 5.6° | 9.1° |
| C18 | N17 | C16 | H161 | 126.2° | 111.5° |
| N17 | C18 | C19 | H191 | 32.0° | 60.0° |
| N17 | C18 | C19 | H192 | 87.5° | 60.1° |
| C18 | N17 | C33 | H331 | 5.4° | 111.5° |
| C18 | N17 | C33 | H332 | 125.5° | 8.9° |
| O32 | C18 | N17 | C33 | 0.5° | 180.0° |
| O32 | C18 | C19 | H191 | 147.3° | 120.0° |
| O32 | C18 | C19 | H192 | 93.2° | 120.0° |
| C30 | N25 | C26 | C24 | 176.5° | 179.9° |
| C30 | N25 | C26 | C27 | 178.6° | 174.4° |
| C30 | N25 | C24 | C23 | 5.4° | 53.6° |
| C30 | N25 | C24 | H242 | 125.9° | 173.4° |
| C30 | N25 | C24 | H241 | 115.1° | 66.3° |
| N25 | C30 | H302 | H301 | 122.6° | 120.3° |
| N25 | C30 | C31 | H311 | 170.7° | 174.6° |
| N25 | C30 | C31 | H312 | 51.2° | 65.4° |
| C28 | C27 | C26 | N25 | 99.8° | 179.0° |
| C28 | C27 | C26 | H272 | 180.0° | 180.0° |
| C27 | C28 | H282 | H281 | 180.0° | 179.9° |
| C26 | N25 | C24 | C23 | 171.5° | 126.4° |
| C26 | N25 | C24 | H242 | 51.1° | 6.6° |
| C26 | N25 | C24 | H241 | 68.0° | 113.8° |
| N25 | C26 | C27 | H272 | 80.2° | 0.9° |
| C26 | N25 | C30 | H302 | 4.2° | 113.8° |
| C26 | N25 | C30 | H301 | 125.9° | 6.5° |
| C27 | C26 | N25 | C24 | 2.1° | 5.7° |
| C26 | C27 | C28 | H282 | 0.0° | 180.0° |
| C26 | C27 | C28 | H281 | 180.0° | 0.0° |
| C39 | O40 | C41 | C42 | 41.5° | 58.7° |
| O40 | C39 | C38 | H382 | 58.6° | 63.1° |
| O40 | C39 | C38 | H381 | 178.1° | 176.8° |
| O40 | C39 | H391 | H392 | 118.3° | 120.1° |
| C39 | O40 | C41 | H411 | 79.4° | 178.6° |
| C39 | O40 | C41 | H412 | 162.3° | 61.3° |
| N17 | C33 | C34 | H331 | 119.9° | 119.7° |
| N17 | C33 | C34 | H332 | 119.9° | 120.0° |
| C33 | N17 | C16 | H162 | 177.4° | 170.9° |
| C33 | N17 | C16 | H161 | 56.8° | 68.5° |
| N17 | C33 | H331 | H332 | 120.1° | 120.5° |
| N17 | C33 | C34 | H342 | 176.3° | 66.2° |
| N17 | C33 | C34 | H341 | 64.1° | 173.9° |
| N37 | C42 | C41 | O40 | 44.6° | 56.9° |
| N37 | C42 | C41 | C43 | 119.2° | 119.9° |
| N37 | C42 | C41 | H421 | 125.2° | 120.0° |
| N37 | C42 | C43 | H421 | 119.6° | 120.1° |
| C42 | N37 | C38 | H382 | 62.1° | 61.3° |
| C42 | N37 | C38 | H381 | 178.3° | 178.5° |
| N37 | C42 | C41 | H411 | 76.2° | 176.8° |
| N37 | C42 | C41 | H412 | 165.5° | 63.1° |
| N37 | C42 | C43 | H431 | 180.0° | 177.7° |
| N37 | C42 | C43 | H432 | 60.0° | 62.4° |
| N37 | C42 | C43 | H433 | 60.0° | 57.6° |
| C21 | C22 | C23 | H221 | 121.8° | 120.0° |
| C21 | C22 | C23 | C24 | 160.8° | 178.6° |
| C22 | C21 | H212 | H211 | 119.8° | 120.0° |
| C21 | C22 | C23 | H231 | 40.4° | 61.4° |
| C21 | C22 | C23 | H232 | 78.9° | 58.7° |
| C21 | C22 | C31 | H311 | 12.3° | 58.7° |
| C21 | C22 | C31 | H312 | 131.7° | 61.4° |
| C22 | C23 | C24 | N25 | 50.0° | 54.6° |
| C22 | C23 | C24 | H231 | 120.4° | 120.0° |
| C22 | C23 | C24 | H232 | 120.4° | 119.9° |
| C23 | C22 | C21 | H212 | 46.8° | 55.0° |
| C23 | C22 | C21 | H211 | 73.0° | 65.0° |
| C22 | C23 | C24 | H242 | 70.4° | 174.5° |
| C22 | C23 | C24 | H241 | 170.5° | 65.3° |
| C22 | C23 | H231 | H232 | 118.9° | 120.0° |
| C23 | C22 | C31 | H311 | 134.7° | 178.7° |
| C23 | C22 | C31 | H312 | 105.8° | 58.5° |
| C34 | C33 | H331 | H332 | 120.2° | 120.4° |
| C33 | C34 | H342 | H341 | 119.4° | 120.0° |
| N25 | C24 | C23 | H242 | 120.5° | 119.8° |
| N25 | C24 | C23 | H241 | 120.5° | 119.9° |
| N25 | C24 | H242 | H241 | 118.5° | 120.4° |
| N25 | C24 | C23 | H231 | 70.3° | 65.3° |
| N25 | C24 | C23 | H232 | 170.4° | 174.6° |
| C24 | N25 | C30 | H302 | 178.9° | 66.2° |
| C24 | N25 | C30 | H301 | 57.1° | 173.5° |
| O40 | C41 | C42 | H411 | 120.8° | 119.9° |
| O40 | C41 | C42 | H412 | 120.9° | 120.0° |
| O40 | C41 | C42 | C43 | 163.8° | 176.8° |
| C41 | O40 | C39 | H391 | 70.2° | 61.2° |
| C41 | O40 | C39 | H392 | 170.9° | 178.7° |
| O40 | C41 | H411 | H412 | 117.3° | 120.1° |
| O40 | C41 | C42 | H421 | 80.5° | 63.1° |
| C41 | C42 | C43 | H421 | 115.8° | 120.1° |
| C42 | C41 | H411 | H412 | 117.3° | 120.2° |
| C41 | C42 | C43 | H431 | 55.3° | 57.9° |
| C41 | C42 | C43 | H432 | 175.4° | 177.9° |
| C41 | C42 | C43 | H433 | 64.6° | 62.1° |
| C43 | C42 | C41 | H411 | 43.0° | 63.3° |
| C43 | C42 | C41 | H412 | 75.3° | 56.8° |
| C42 | C43 | H431 | H432 | 120.0° | 120.0° |
| C42 | C43 | H431 | H433 | 120.0° | 120.0° |
| C42 | C43 | H432 | H433 | 120.0° | 120.0° |
| C24 | C23 | C22 | H221 | 77.4° | 58.6° |
| C23 | C24 | H242 | H241 | 118.5° | 120.3° |
| C24 | C23 | H231 | H232 | 118.8° | 120.1° |
| H151 | C15 | C16 | H162 | 62.4° | 66.6° |
| H151 | C15 | C16 | H161 | 58.2° | 54.0° |
| H152 | C15 | C16 | H162 | 57.3° | 53.5° |
| H152 | C15 | C16 | H161 | 177.9° | 174.2° |
| H212 | C21 | C22 | H221 | 168.9° | 65.0° |
| H211 | C21 | C22 | H221 | 49.0° | 175.0° |
| H221 | C22 | C23 | H231 | 162.2° | 178.6° |
| H221 | C22 | C23 | H232 | 42.9° | 61.3° |
| H221 | C22 | C31 | H311 | 104.1° | 61.3° |
| H221 | C22 | C31 | H312 | 15.4° | 178.6° |
| H242 | C24 | C23 | H231 | 169.2° | 54.5° |
| H242 | C24 | C23 | H232 | 49.9° | 65.6° |
| H241 | C24 | C23 | H231 | 50.1° | 174.7° |
| H241 | C24 | C23 | H232 | 69.1° | 54.6° |
| H282 | C28 | C27 | H272 | 180.0° | 0.1° |
| H281 | C28 | C27 | H272 | 0.0° | 180.0° |
| H302 | C30 | C31 | H311 | 51.6° | 54.8° |
| H302 | C30 | C31 | H312 | 67.9° | 174.9° |
| H301 | C30 | C31 | H311 | 70.1° | 65.5° |
| H301 | C30 | C31 | H312 | 170.4° | 54.5° |
| H331 | C33 | C34 | H342 | 63.8° | 174.1° |
| H331 | C33 | C34 | H341 | 55.9° | 54.2° |
| H332 | C33 | C34 | H342 | 56.3° | 53.8° |
| H332 | C33 | C34 | H341 | 176.0° | 66.2° |
| H382 | C38 | C39 | H391 | 179.1° | 177.0° |
| H382 | C38 | C39 | H392 | 62.0° | 56.9° |
| H381 | C38 | C39 | H391 | 61.3° | 56.8° |
| H381 | C38 | C39 | H392 | 57.6° | 63.3° |
| H411 | C41 | C42 | H421 | 158.6° | 56.8° |
| H412 | C41 | C42 | H421 | 40.3° | 176.9° |
| H421 | C42 | C43 | H431 | 60.4° | 62.2° |
| H421 | C42 | C43 | H432 | 59.6° | 57.8° |
| H421 | C42 | C43 | H433 | 179.6° | 177.8° |
| H431 | C43 | H432 | H433 | 120.0° | 120.1° |
