GBT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | N25 | doub | 1.31Å | 1.30Å | Aromatic |
| C24 | C23 | sing | 1.40Å | 1.38Å | Aromatic |
| N25 | N21 | sing | 1.40Å | 1.31Å | Aromatic |
| C23 | C22 | doub | 1.35Å | 1.34Å | Aromatic |
| N21 | C22 | sing | 1.35Å | 1.34Å | Aromatic |
| N21 | C20 | sing | 1.47Å | 1.45Å | |
| C20 | C19 | sing | 1.51Å | 1.56Å | |
| C26 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | C27 | sing | 1.39Å | 1.40Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C17 | doub | 1.39Å | 1.40Å | Aromatic |
| C17 | C28 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | O16 | sing | 1.36Å | 1.39Å | |
| C28 | C29 | sing | 1.51Å | 1.56Å | |
| C29 | N30 | sing | 1.46Å | 1.46Å | |
| O16 | C15 | sing | 1.43Å | 1.44Å | |
| C15 | C14 | sing | 1.53Å | 1.56Å | |
| N30 | N34 | sing | 1.40Å | 1.31Å | Aromatic |
| N30 | C31 | sing | 1.34Å | 1.33Å | Aromatic |
| N34 | C33 | doub | 1.30Å | 1.29Å | Aromatic |
| C14 | C13 | sing | 1.53Å | 1.57Å | |
| C31 | C32 | doub | 1.38Å | 1.35Å | Aromatic |
| C13 | C12 | sing | 1.51Å | 1.52Å | |
| C33 | C32 | sing | 1.43Å | 1.40Å | Aromatic |
| C32 | C35 | sing | 1.45Å | 1.51Å | |
| C12 | C11 | doub | 1.31Å | 1.39Å | |
| C35 | N37 | sing | 1.33Å | 1.42Å | |
| C35 | O36 | doub | 1.23Å | 1.15Å | |
| C11 | C10 | sing | 1.51Å | 1.53Å | |
| N37 | C38 | sing | 1.48Å | 1.45Å | |
| C10 | C09 | sing | 1.53Å | 1.54Å | |
| C38 | C39 | sing | 1.51Å | 1.56Å | |
| C01 | C02 | sing | 1.51Å | 1.54Å | |
| C39 | C02 | doub | 1.38Å | 1.38Å | Aromatic |
| C39 | C07 | sing | 1.40Å | 1.38Å | Aromatic |
| O08 | C07 | sing | 1.36Å | 1.39Å | |
| O08 | C09 | sing | 1.43Å | 1.45Å | |
| C02 | N03 | sing | 1.32Å | 1.32Å | Aromatic |
| C07 | C06 | doub | 1.39Å | 1.37Å | Aromatic |
| N03 | C04 | doub | 1.32Å | 1.33Å | Aromatic |
| C06 | C04 | sing | 1.39Å | 1.39Å | Aromatic |
| C04 | N05 | sing | 1.39Å | 1.39Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| N05 | H051 | sing | 0.97Å | 1.00Å | |
| N05 | H052 | sing | 0.97Å | 1.00Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| N37 | H371 | sing | 0.98Å | 1.00Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N25 | C24 | C23 | 107.8° | 108.2° |
| C24 | N25 | N21 | 110.7° | 108.2° |
| N25 | C24 | H241 | 126.1° | 125.9° |
| C24 | C23 | C22 | 105.1° | 107.9° |
| C24 | C23 | H231 | 127.4° | 126.0° |
| C23 | C24 | H241 | 126.1° | 125.9° |
| N25 | N21 | C22 | 106.9° | 107.9° |
| N25 | N21 | C20 | 125.9° | 126.1° |
| C23 | C22 | N21 | 109.5° | 107.7° |
| C23 | C22 | H221 | 125.2° | 126.2° |
| C22 | C23 | H231 | 127.5° | 126.0° |
| C22 | N21 | C20 | 127.2° | 126.0° |
| N21 | C22 | H221 | 125.2° | 126.1° |
| N21 | C20 | C19 | 108.9° | 109.4° |
| N21 | C20 | H202 | 109.6° | 109.4° |
| N21 | C20 | H201 | 109.6° | 109.5° |
| C20 | C19 | C26 | 119.3° | 119.9° |
| C20 | C19 | C18 | 121.0° | 119.9° |
| C19 | C20 | H202 | 109.6° | 109.5° |
| C19 | C20 | H201 | 109.6° | 109.5° |
| C19 | C26 | C27 | 118.7° | 119.9° |
| C26 | C19 | C18 | 119.7° | 120.1° |
| C19 | C26 | H261 | 120.6° | 120.1° |
| C26 | C27 | C28 | 122.5° | 120.2° |
| C27 | C26 | H261 | 120.6° | 120.0° |
| C26 | C27 | H271 | 118.8° | 119.9° |
| C19 | C18 | C17 | 121.3° | 120.0° |
| C19 | C18 | H181 | 119.4° | 119.9° |
| C27 | C28 | C17 | 118.4° | 119.8° |
| C27 | C28 | C29 | 122.4° | 120.0° |
| C28 | C27 | H271 | 118.7° | 119.9° |
| C18 | C17 | C28 | 119.4° | 119.9° |
| C18 | C17 | O16 | 122.8° | 120.2° |
| C17 | C18 | H181 | 119.4° | 120.1° |
| C28 | C17 | O16 | 117.7° | 119.9° |
| C17 | C28 | C29 | 119.1° | 120.1° |
| C17 | O16 | C15 | 123.0° | 118.0° |
| C28 | C29 | N30 | 115.1° | 110.4° |
| C28 | C29 | H292 | 108.1° | 109.2° |
| C28 | C29 | H291 | 108.0° | 109.6° |
| C29 | N30 | N34 | 129.3° | 125.6° |
| C29 | N30 | C31 | 123.9° | 126.0° |
| N30 | C29 | H292 | 108.0° | 109.1° |
| N30 | C29 | H291 | 108.1° | 109.4° |
| O16 | C15 | C14 | 107.3° | 109.7° |
| O16 | C15 | H151 | 110.0° | 109.4° |
| O16 | C15 | H152 | 110.0° | 109.6° |
| C15 | C14 | C13 | 111.0° | 109.5° |
| C15 | C14 | H142 | 109.1° | 109.5° |
| C15 | C14 | H141 | 109.1° | 109.5° |
| C14 | C15 | H151 | 110.0° | 109.4° |
| C14 | C15 | H152 | 110.0° | 109.4° |
| N34 | N30 | C31 | 106.7° | 108.5° |
| N30 | N34 | C33 | 112.5° | 109.0° |
| N30 | C31 | C32 | 109.1° | 108.0° |
| N30 | C31 | H311 | 125.5° | 125.8° |
| N34 | C33 | C32 | 106.3° | 107.9° |
| N34 | C33 | H331 | 126.9° | 126.2° |
| C14 | C13 | C12 | 115.0° | 109.4° |
| C14 | C13 | H131 | 108.1° | 109.5° |
| C14 | C13 | H132 | 108.1° | 109.3° |
| C13 | C14 | H142 | 109.1° | 109.5° |
| C13 | C14 | H141 | 109.1° | 109.4° |
| C31 | C32 | C33 | 105.4° | 106.4° |
| C31 | C32 | C35 | 129.2° | 129.6° |
| C32 | C31 | H311 | 125.5° | 126.2° |
| C13 | C12 | C11 | 119.7° | 120.0° |
| C13 | C12 | H121 | 120.2° | 119.7° |
| C12 | C13 | H131 | 108.1° | 109.6° |
| C12 | C13 | H132 | 108.1° | 109.6° |
| C33 | C32 | C35 | 125.3° | 124.0° |
| C32 | C33 | H331 | 126.9° | 125.9° |
| C32 | C35 | N37 | 120.2° | 131.7° |
| C32 | C35 | O36 | 122.4° | 114.1° |
| C12 | C11 | C10 | 119.5° | 120.0° |
| C12 | C11 | H111 | 120.2° | 120.3° |
| C11 | C12 | H121 | 120.2° | 120.4° |
| N37 | C35 | O36 | 117.4° | 114.2° |
| C35 | N37 | C38 | 122.1° | 121.7° |
| C35 | N37 | H371 | 119.0° | 119.1° |
| C11 | C10 | C09 | 111.1° | 109.4° |
| C11 | C10 | H101 | 109.1° | 109.4° |
| C11 | C10 | H102 | 109.1° | 109.7° |
| C10 | C11 | H111 | 120.2° | 119.7° |
| N37 | C38 | C39 | 113.5° | 107.1° |
| C38 | N37 | H371 | 118.9° | 119.2° |
| N37 | C38 | H382 | 108.5° | 109.9° |
| N37 | C38 | H381 | 108.4° | 110.5° |
| C10 | C09 | O08 | 108.3° | 110.2° |
| C10 | C09 | H092 | 109.8° | 109.6° |
| C10 | C09 | H091 | 109.8° | 109.4° |
| C09 | C10 | H101 | 109.0° | 109.3° |
| C09 | C10 | H102 | 109.1° | 109.5° |
| C38 | C39 | C02 | 122.6° | 119.9° |
| C38 | C39 | C07 | 119.0° | 121.5° |
| C39 | C38 | H382 | 108.4° | 109.6° |
| C39 | C38 | H381 | 108.5° | 110.4° |
| C01 | C02 | C39 | 122.9° | 120.8° |
| C01 | C02 | N03 | 116.1° | 118.0° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.4° | 109.4° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C39 | C07 | 118.3° | 118.5° |
| C39 | C02 | N03 | 121.0° | 121.2° |
| C39 | C07 | O08 | 116.0° | 122.2° |
| C39 | C07 | C06 | 120.1° | 118.6° |
| C07 | O08 | C09 | 118.4° | 114.9° |
| O08 | C07 | C06 | 123.9° | 119.1° |
| O08 | C09 | H092 | 109.8° | 109.1° |
| O08 | C09 | H091 | 109.8° | 109.2° |
| C02 | N03 | C04 | 121.9° | 122.0° |
| C07 | C06 | C04 | 118.7° | 119.3° |
| C07 | C06 | H061 | 120.6° | 120.4° |
| N03 | C04 | C06 | 119.9° | 120.2° |
| N03 | C04 | N05 | 118.3° | 120.0° |
| C06 | C04 | N05 | 121.8° | 119.8° |
| C04 | C06 | H061 | 120.6° | 120.3° |
| C04 | N05 | H051 | 109.5° | 120.0° |
| C04 | N05 | H052 | 109.5° | 120.0° |
| H011 | C01 | H013 | 109.4° | 109.5° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H013 | C01 | H012 | 109.5° | 109.5° |
| H051 | N05 | H052 | 109.5° | 120.0° |
| H092 | C09 | H091 | 109.5° | 109.2° |
| H101 | C10 | H102 | 109.5° | 109.5° |
| H131 | C13 | H132 | 109.4° | 109.5° |
| H142 | C14 | H141 | 109.5° | 109.5° |
| H151 | C15 | H152 | 109.5° | 109.4° |
| H202 | C20 | H201 | 109.5° | 109.5° |
| H292 | C29 | H291 | 109.4° | 109.0° |
| H382 | C38 | H381 | 109.5° | 109.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N25 | C24 | C23 | H241 | 180.0° | 179.6° |
| N25 | C24 | C23 | C22 | 1.1° | 0.2° |
| C24 | N25 | N21 | C22 | 0.7° | 0.5° |
| C24 | N25 | N21 | C20 | 179.6° | 179.9° |
| N25 | C24 | C23 | H231 | 179.0° | 179.7° |
| C23 | C24 | N25 | N21 | 0.2° | 0.4° |
| C24 | C23 | C22 | H231 | 180.0° | 179.9° |
| C24 | C23 | C22 | N21 | 1.5° | 0.1° |
| C24 | C23 | C22 | H221 | 178.5° | 180.0° |
| N25 | N21 | C22 | C23 | 1.4° | 0.3° |
| N25 | N21 | C22 | C20 | 178.8° | 179.6° |
| N25 | N21 | C20 | C19 | 70.6° | 55.3° |
| N25 | N21 | C20 | H202 | 49.3° | 175.3° |
| N25 | N21 | C20 | H201 | 169.5° | 64.6° |
| N25 | N21 | C22 | H221 | 178.6° | 179.8° |
| N21 | N25 | C24 | H241 | 179.8° | 180.0° |
| C23 | C22 | N21 | H221 | 180.0° | 179.9° |
| C23 | C22 | N21 | C20 | 179.7° | 180.0° |
| C22 | C23 | C24 | H241 | 178.9° | 179.8° |
| C22 | N21 | C20 | C19 | 108.1° | 125.1° |
| C22 | N21 | C20 | H202 | 132.0° | 5.1° |
| C22 | N21 | C20 | H201 | 11.9° | 114.9° |
| N21 | C22 | C23 | H231 | 178.5° | 180.0° |
| N21 | C20 | C19 | H202 | 119.9° | 119.9° |
| N21 | C20 | C19 | H201 | 119.9° | 120.0° |
| N21 | C20 | C19 | C26 | 35.6° | 90.1° |
| N21 | C20 | C19 | C18 | 145.2° | 90.0° |
| N21 | C20 | H202 | H201 | 120.3° | 120.0° |
| C20 | N21 | C22 | H221 | 0.3° | 0.1° |
| C20 | C19 | C26 | C18 | 179.2° | 179.9° |
| C20 | C19 | C26 | C27 | 179.1° | 179.8° |
| C20 | C19 | C18 | C17 | 179.7° | 179.9° |
| C20 | C19 | C18 | H181 | 0.3° | 0.2° |
| C19 | C20 | H202 | H201 | 120.3° | 120.1° |
| C20 | C19 | C26 | H261 | 0.9° | 0.2° |
| C19 | C26 | C27 | H261 | 180.0° | 180.0° |
| C19 | C26 | C27 | C28 | 0.7° | 0.1° |
| C26 | C19 | C18 | C17 | 1.2° | 0.2° |
| C26 | C19 | C18 | H181 | 178.9° | 179.7° |
| C26 | C19 | C20 | H202 | 155.5° | 29.9° |
| C26 | C19 | C20 | H201 | 84.3° | 149.9° |
| C19 | C26 | C27 | H271 | 179.3° | 179.8° |
| C27 | C26 | C19 | C18 | 0.1° | 0.3° |
| C26 | C27 | C28 | H271 | 180.0° | 179.9° |
| C26 | C27 | C28 | C17 | 0.0° | 0.5° |
| C26 | C27 | C28 | C29 | 176.3° | 178.9° |
| C19 | C18 | C17 | H181 | 180.0° | 179.9° |
| C19 | C18 | C17 | C28 | 1.9° | 0.2° |
| C19 | C18 | C17 | O16 | 179.2° | 179.9° |
| C18 | C19 | C20 | H202 | 25.3° | 150.0° |
| C18 | C19 | C20 | H201 | 94.9° | 29.9° |
| C18 | C19 | C26 | H261 | 179.9° | 179.7° |
| C27 | C28 | C17 | C18 | 1.2° | 0.5° |
| C27 | C28 | C17 | C29 | 176.5° | 179.4° |
| C27 | C28 | C17 | O16 | 178.7° | 179.6° |
| C27 | C28 | C29 | N30 | 118.0° | 76.8° |
| C28 | C27 | C26 | H261 | 179.3° | 179.9° |
| C27 | C28 | C29 | H292 | 2.8° | 43.2° |
| C27 | C28 | C29 | H291 | 121.1° | 162.6° |
| C18 | C17 | C28 | O16 | 177.5° | 179.9° |
| C18 | C17 | C28 | C29 | 177.7° | 178.9° |
| C18 | C17 | O16 | C15 | 9.3° | 35.9° |
| C17 | C28 | C29 | N30 | 65.6° | 103.8° |
| C28 | C17 | O16 | C15 | 168.1° | 144.0° |
| C28 | C17 | C18 | H181 | 178.2° | 179.9° |
| C17 | C28 | C27 | H271 | 180.0° | 179.4° |
| C17 | C28 | C29 | H292 | 173.5° | 136.2° |
| C17 | C28 | C29 | H291 | 55.2° | 16.8° |
| O16 | C17 | C28 | C29 | 4.8° | 1.0° |
| C17 | O16 | C15 | C14 | 120.3° | 149.9° |
| C17 | O16 | C15 | H151 | 120.1° | 90.2° |
| C17 | O16 | C15 | H152 | 0.6° | 29.7° |
| O16 | C17 | C18 | H181 | 0.8° | 0.0° |
| C28 | C29 | N30 | H292 | 120.8° | 120.0° |
| C28 | C29 | N30 | H291 | 120.8° | 120.7° |
| C28 | C29 | N30 | N34 | 122.5° | 50.2° |
| C28 | C29 | N30 | C31 | 60.4° | 130.1° |
| C29 | C28 | C27 | H271 | 3.7° | 1.2° |
| C28 | C29 | H292 | H291 | 117.4° | 119.8° |
| C29 | N30 | N34 | C31 | 177.5° | 179.7° |
| C29 | N30 | N34 | C33 | 178.6° | 176.7° |
| C29 | N30 | C31 | C32 | 178.8° | 175.3° |
| N30 | C29 | H292 | H291 | 117.4° | 119.5° |
| C29 | N30 | C31 | H311 | 1.1° | 4.7° |
| O16 | C15 | C14 | H151 | 119.7° | 120.0° |
| O16 | C15 | C14 | H152 | 119.7° | 120.2° |
| O16 | C15 | C14 | C13 | 47.5° | 99.9° |
| O16 | C15 | C14 | H142 | 72.7° | 140.1° |
| O16 | C15 | C14 | H141 | 167.8° | 20.1° |
| O16 | C15 | H151 | H152 | 121.0° | 120.0° |
| C15 | C14 | C13 | H142 | 120.2° | 120.1° |
| C15 | C14 | C13 | H141 | 120.2° | 120.0° |
| C15 | C14 | C13 | C12 | 150.1° | 132.3° |
| C15 | C14 | C13 | H131 | 29.2° | 12.1° |
| C15 | C14 | C13 | H132 | 89.1° | 107.7° |
| C15 | C14 | H142 | H141 | 119.3° | 120.0° |
| C14 | C15 | H151 | H152 | 121.0° | 119.8° |
| N34 | N30 | C31 | C32 | 1.1° | 4.5° |
| N30 | N34 | C33 | C32 | 0.5° | 0.4° |
| N34 | N30 | C29 | H292 | 116.6° | 69.8° |
| N34 | N30 | C29 | H291 | 1.7° | 170.9° |
| N34 | N30 | C31 | H311 | 178.8° | 175.6° |
| N30 | N34 | C33 | H331 | 179.5° | 179.4° |
| C31 | N30 | N34 | C33 | 1.0° | 3.0° |
| N30 | C31 | C32 | H311 | 180.0° | 179.9° |
| N30 | C31 | C32 | C33 | 0.9° | 4.2° |
| N30 | C31 | C32 | C35 | 179.2° | 176.5° |
| C31 | N30 | C29 | H292 | 60.5° | 109.9° |
| C31 | N30 | C29 | H291 | 178.8° | 9.4° |
| N34 | C33 | C32 | C31 | 0.2° | 2.3° |
| N34 | C33 | C32 | H331 | 180.0° | 179.8° |
| N34 | C33 | C32 | C35 | 178.7° | 178.3° |
| C14 | C13 | C12 | H131 | 120.8° | 120.0° |
| C14 | C13 | C12 | H132 | 120.8° | 119.8° |
| C14 | C13 | C12 | C11 | 178.0° | 142.2° |
| C14 | C13 | C12 | H121 | 2.0° | 37.4° |
| C14 | C13 | H131 | H132 | 117.5° | 119.8° |
| C13 | C14 | H142 | H141 | 119.3° | 119.9° |
| C13 | C14 | C15 | H151 | 167.2° | 20.1° |
| C13 | C14 | C15 | H152 | 72.1° | 139.9° |
| C31 | C32 | C33 | C35 | 178.5° | 179.4° |
| C31 | C32 | C35 | N37 | 12.0° | 26.4° |
| C31 | C32 | C35 | O36 | 165.6° | 153.8° |
| C31 | C32 | C33 | H331 | 179.8° | 177.9° |
| C13 | C12 | C11 | H121 | 180.0° | 179.6° |
| C13 | C12 | C11 | C10 | 172.6° | 179.1° |
| C13 | C12 | C11 | H111 | 7.5° | 1.1° |
| C12 | C13 | H131 | H132 | 117.5° | 120.2° |
| C12 | C13 | C14 | H142 | 89.7° | 107.6° |
| C12 | C13 | C14 | H141 | 29.8° | 12.3° |
| C33 | C32 | C35 | N37 | 166.1° | 152.8° |
| C33 | C32 | C35 | O36 | 16.3° | 27.0° |
| C33 | C32 | C31 | H311 | 179.1° | 175.9° |
| C32 | C35 | N37 | O36 | 177.7° | 179.8° |
| C32 | C35 | N37 | C38 | 179.0° | 33.7° |
| C35 | C32 | C31 | H311 | 0.7° | 3.4° |
| C35 | C32 | C33 | H331 | 1.3° | 1.5° |
| C32 | C35 | N37 | H371 | 1.0° | 145.3° |
| C12 | C11 | C10 | H111 | 180.0° | 179.8° |
| C12 | C11 | C10 | C09 | 173.3° | 146.9° |
| C12 | C11 | C10 | H101 | 66.5° | 93.3° |
| C12 | C11 | C10 | H102 | 53.0° | 26.8° |
| C11 | C12 | C13 | H131 | 57.1° | 22.1° |
| C11 | C12 | C13 | H132 | 61.2° | 98.0° |
| C35 | N37 | C38 | H371 | 180.0° | 179.0° |
| C35 | N37 | C38 | C39 | 128.2° | 173.1° |
| C35 | N37 | C38 | H382 | 111.1° | 67.9° |
| C35 | N37 | C38 | H381 | 7.6° | 52.9° |
| O36 | C35 | N37 | C38 | 3.2° | 146.1° |
| O36 | C35 | N37 | H371 | 176.8° | 34.9° |
| C11 | C10 | C09 | H101 | 120.2° | 119.8° |
| C11 | C10 | C09 | H102 | 120.2° | 120.3° |
| C11 | C10 | C09 | O08 | 54.6° | 116.2° |
| C11 | C10 | C09 | H092 | 174.4° | 3.9° |
| C11 | C10 | C09 | H091 | 65.2° | 123.7° |
| C11 | C10 | H101 | H102 | 119.3° | 120.3° |
| C10 | C11 | C12 | H121 | 7.4° | 0.5° |
| N37 | C38 | C39 | H382 | 120.6° | 119.2° |
| N37 | C38 | C39 | H381 | 120.6° | 120.4° |
| N37 | C38 | C39 | C02 | 100.9° | 61.9° |
| N37 | C38 | C39 | C07 | 78.9° | 119.7° |
| N37 | C38 | H382 | H381 | 118.1° | 121.4° |
| C10 | C09 | O08 | C07 | 153.3° | 170.3° |
| C10 | C09 | O08 | H092 | 119.8° | 120.4° |
| C10 | C09 | O08 | H091 | 119.8° | 120.2° |
| C10 | C09 | H092 | H091 | 120.6° | 119.8° |
| C09 | C10 | H101 | H102 | 119.3° | 119.9° |
| C09 | C10 | C11 | H111 | 6.7° | 33.3° |
| C38 | C39 | C02 | C01 | 0.4° | 2.7° |
| C38 | C39 | C02 | C07 | 179.8° | 178.4° |
| C38 | C39 | C07 | O08 | 0.2° | 3.6° |
| C38 | C39 | C02 | N03 | 177.4° | 176.5° |
| C38 | C39 | C07 | C06 | 178.0° | 177.5° |
| C39 | C38 | N37 | H371 | 51.8° | 7.8° |
| C39 | C38 | H382 | H381 | 118.2° | 121.1° |
| C01 | C02 | C39 | N03 | 177.8° | 179.2° |
| C01 | C02 | C39 | C07 | 179.5° | 175.7° |
| C01 | C02 | N03 | C04 | 179.2° | 178.3° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C02 | C01 | H011 | H012 | 120.1° | 120.0° |
| C02 | C01 | H013 | H012 | 120.0° | 120.0° |
| C02 | C39 | C07 | O08 | 179.7° | 174.8° |
| C02 | C39 | C07 | C06 | 2.2° | 4.2° |
| C39 | C02 | N03 | C04 | 2.9° | 2.4° |
| C39 | C02 | C01 | H011 | 177.9° | 90.7° |
| C39 | C02 | C01 | H013 | 62.1° | 29.2° |
| C39 | C02 | C01 | H012 | 57.8° | 149.2° |
| C02 | C39 | C38 | H382 | 19.7° | 178.9° |
| C02 | C39 | C38 | H381 | 138.5° | 58.5° |
| C39 | C07 | O08 | C06 | 178.1° | 178.9° |
| C39 | C07 | O08 | C09 | 178.6° | 111.4° |
| C07 | C39 | C02 | N03 | 2.7° | 5.1° |
| C39 | C07 | C06 | C04 | 1.7° | 0.7° |
| C39 | C07 | C06 | H061 | 178.3° | 178.6° |
| C07 | C39 | C38 | H382 | 160.5° | 0.6° |
| C07 | C39 | C38 | H381 | 41.7° | 119.9° |
| O08 | C07 | C06 | C04 | 179.7° | 178.2° |
| O08 | C07 | C06 | H061 | 0.3° | 2.4° |
| C07 | O08 | C09 | H092 | 86.9° | 69.3° |
| C07 | O08 | C09 | H091 | 33.5° | 50.1° |
| C09 | O08 | C07 | C06 | 3.3° | 67.5° |
| O08 | C09 | H092 | H091 | 120.5° | 119.4° |
| O08 | C09 | C10 | H101 | 65.6° | 124.0° |
| O08 | C09 | C10 | H102 | 174.8° | 4.1° |
| C02 | N03 | C04 | C06 | 2.3° | 1.2° |
| C02 | N03 | C04 | N05 | 178.5° | 179.3° |
| N03 | C02 | C01 | H011 | 0.0° | 90.0° |
| N03 | C02 | C01 | H013 | 120.0° | 150.0° |
| N03 | C02 | C01 | H012 | 120.0° | 30.0° |
| C07 | C06 | C04 | N03 | 1.7° | 2.0° |
| C07 | C06 | C04 | H061 | 180.0° | 179.4° |
| C07 | C06 | C04 | N05 | 179.1° | 178.5° |
| N03 | C04 | C06 | N05 | 179.2° | 179.6° |
| N03 | C04 | N05 | H051 | 0.0° | 0.0° |
| N03 | C04 | N05 | H052 | 120.0° | 180.0° |
| N03 | C04 | C06 | H061 | 178.3° | 178.6° |
| C06 | C04 | N05 | H051 | 179.2° | 179.5° |
| C06 | C04 | N05 | H052 | 59.2° | 0.5° |
| C04 | N05 | H051 | H052 | 120.0° | 180.0° |
| N05 | C04 | C06 | H061 | 0.9° | 0.9° |
| H011 | C01 | H013 | H012 | 120.0° | 120.0° |
| H092 | C09 | C10 | H101 | 54.2° | 115.9° |
| H092 | C09 | C10 | H102 | 65.4° | 124.2° |
| H091 | C09 | C10 | H101 | 174.6° | 3.9° |
| H091 | C09 | C10 | H102 | 55.0° | 116.0° |
| H101 | C10 | C11 | H111 | 113.5° | 86.5° |
| H102 | C10 | C11 | H111 | 126.9° | 153.4° |
| H111 | C11 | C12 | H121 | 172.5° | 179.3° |
| H121 | C12 | C13 | H131 | 122.8° | 157.5° |
| H121 | C12 | C13 | H132 | 118.8° | 82.4° |
| H131 | C13 | C14 | H142 | 149.5° | 132.2° |
| H131 | C13 | C14 | H141 | 91.0° | 107.8° |
| H132 | C13 | C14 | H142 | 31.1° | 12.3° |
| H132 | C13 | C14 | H141 | 150.6° | 132.3° |
| H142 | C14 | C15 | H151 | 47.0° | 99.9° |
| H142 | C14 | C15 | H152 | 167.7° | 19.9° |
| H141 | C14 | C15 | H151 | 72.5° | 140.1° |
| H141 | C14 | C15 | H152 | 48.2° | 100.1° |
| H221 | C22 | C23 | H231 | 1.5° | 0.1° |
| H231 | C23 | C24 | H241 | 1.0° | 0.0° |
| H261 | C26 | C27 | H271 | 0.7° | 0.2° |
| H371 | N37 | C38 | H382 | 68.9° | 111.2° |
| H371 | N37 | C38 | H381 | 172.3° | 128.1° |
