A1EOG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | O02 | sing | 1.43Å | 1.38Å | |
| O02 | C03 | sing | 1.36Å | 1.38Å | |
| C03 | C04 | doub | 1.38Å | 1.51Å | Aromatic |
| C03 | C23 | sing | 1.39Å | 1.50Å | Aromatic |
| C04 | C05 | sing | 1.39Å | 1.51Å | Aromatic |
| C05 | N06 | sing | 1.40Å | 1.43Å | |
| C05 | C19 | doub | 1.39Å | 1.51Å | Aromatic |
| N06 | C18 | sing | 1.47Å | 1.56Å | |
| N06 | C07 | sing | 1.47Å | 1.56Å | |
| C07 | C08 | sing | 1.53Å | 1.52Å | |
| C08 | C09 | sing | 1.53Å | 1.49Å | |
| C09 | N10 | sing | 1.47Å | 1.37Å | |
| C09 | C17 | sing | 1.53Å | 1.48Å | |
| N10 | C16 | sing | 1.47Å | 1.39Å | |
| N10 | C11 | sing | 1.47Å | 1.38Å | |
| C11 | C12 | sing | 1.53Å | 1.51Å | |
| C12 | N13 | sing | 1.47Å | 1.39Å | |
| N13 | C14 | sing | 1.47Å | 1.53Å | |
| N13 | C15 | sing | 1.47Å | 1.37Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C19 | C20 | sing | 1.51Å | 1.51Å | |
| C19 | C22 | sing | 1.38Å | 1.51Å | Aromatic |
| C20 | C21 | sing | 1.53Å | 1.51Å | |
| C22 | C23 | doub | 1.39Å | 1.52Å | Aromatic |
| C23 | N24 | sing | 1.40Å | 1.43Å | |
| N24 | C25 | sing | 1.38Å | 1.43Å | |
| C25 | N50 | doub | 1.33Å | 1.44Å | Aromatic |
| C25 | N26 | sing | 1.32Å | 1.45Å | Aromatic |
| N26 | C27 | doub | 1.33Å | 1.48Å | Aromatic |
| C27 | N31 | sing | 1.37Å | 1.36Å | Aromatic |
| C27 | C28 | sing | 1.41Å | 1.34Å | Aromatic |
| C28 | C29 | sing | 1.46Å | 1.35Å | Aromatic |
| C28 | C32 | doub | 1.40Å | 1.52Å | Aromatic |
| C29 | C30 | doub | 1.34Å | 1.37Å | Aromatic |
| C30 | N31 | sing | 1.37Å | 1.35Å | Aromatic |
| C32 | N33 | sing | 1.38Å | 1.45Å | |
| C32 | N50 | sing | 1.33Å | 1.42Å | Aromatic |
| N33 | C34 | sing | 1.40Å | 1.44Å | |
| C34 | C43 | doub | 1.38Å | 1.52Å | Aromatic |
| C34 | C35 | sing | 1.40Å | 1.52Å | Aromatic |
| C35 | C36 | doub | 1.36Å | 1.52Å | Aromatic |
| C36 | C37 | sing | 1.41Å | 1.54Å | Aromatic |
| C37 | N38 | doub | 1.34Å | 1.46Å | Aromatic |
| C37 | C42 | sing | 1.42Å | 1.47Å | Aromatic |
| N38 | C39 | sing | 1.31Å | 1.44Å | Aromatic |
| C39 | C40 | doub | 1.39Å | 1.52Å | Aromatic |
| C40 | N41 | sing | 1.31Å | 1.44Å | Aromatic |
| N41 | C42 | doub | 1.34Å | 1.46Å | Aromatic |
| C42 | C43 | sing | 1.41Å | 1.52Å | Aromatic |
| C43 | N44 | sing | 1.40Å | 1.42Å | |
| N44 | S45 | sing | 1.66Å | 1.65Å | |
| N44 | C49 | sing | 1.47Å | 1.44Å | |
| S45 | O46 | doub | 1.42Å | 1.43Å | |
| S45 | C47 | sing | 1.81Å | 1.79Å | |
| S45 | O48 | doub | 1.42Å | 1.42Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C21 | H213 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| C35 | H351 | sing | 1.08Å | 1.08Å | |
| C36 | H361 | sing | 1.08Å | 1.08Å | |
| C39 | H391 | sing | 1.08Å | 1.08Å | |
| C40 | H401 | sing | 1.08Å | 1.08Å | |
| C47 | H472 | sing | 1.09Å | 1.10Å | |
| C47 | H473 | sing | 1.09Å | 1.10Å | |
| C47 | H471 | sing | 1.09Å | 1.10Å | |
| C49 | H493 | sing | 1.09Å | 1.10Å | |
| C49 | H491 | sing | 1.09Å | 1.10Å | |
| C49 | H492 | sing | 1.09Å | 1.10Å | |
| N24 | H241 | sing | 0.97Å | 1.00Å | |
| N31 | H311 | sing | 0.97Å | 1.00Å | |
| N33 | H331 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | O02 | C03 | 113.1° | 117.0° |
| O02 | C01 | H013 | 109.5° | 109.5° |
| O02 | C01 | H011 | 109.4° | 109.4° |
| O02 | C01 | H012 | 109.4° | 109.5° |
| O02 | C03 | C04 | 121.4° | 120.0° |
| O02 | C03 | C23 | 118.1° | 120.1° |
| C04 | C03 | C23 | 120.5° | 119.9° |
| C03 | C04 | C05 | 119.0° | 119.9° |
| C03 | C04 | H041 | 120.5° | 120.0° |
| C03 | C23 | C22 | 120.9° | 120.0° |
| C03 | C23 | N24 | 117.3° | 120.0° |
| C04 | C05 | N06 | 120.5° | 120.0° |
| C04 | C05 | C19 | 120.9° | 120.0° |
| C05 | C04 | H041 | 120.5° | 120.0° |
| N06 | C05 | C19 | 118.6° | 120.0° |
| C05 | N06 | C18 | 119.4° | 111.0° |
| C05 | N06 | C07 | 118.2° | 111.0° |
| C05 | C19 | C20 | 119.5° | 120.0° |
| C05 | C19 | C22 | 120.4° | 120.1° |
| C18 | N06 | C07 | 110.3° | 111.2° |
| N06 | C18 | C17 | 113.9° | 109.6° |
| N06 | C18 | H182 | 108.4° | 109.5° |
| N06 | C18 | H181 | 108.3° | 109.5° |
| N06 | C07 | C08 | 113.1° | 109.5° |
| N06 | C07 | H071 | 108.6° | 109.5° |
| N06 | C07 | H072 | 108.6° | 109.4° |
| C07 | C08 | C09 | 110.5° | 109.3° |
| C08 | C07 | H071 | 108.6° | 109.5° |
| C08 | C07 | H072 | 108.5° | 109.5° |
| C07 | C08 | H081 | 109.2° | 109.5° |
| C07 | C08 | H082 | 109.2° | 109.5° |
| C08 | C09 | N10 | 111.5° | 109.5° |
| C08 | C09 | C17 | 108.1° | 109.2° |
| C09 | C08 | H081 | 109.2° | 109.5° |
| C09 | C08 | H082 | 109.2° | 109.5° |
| C08 | C09 | H091 | 108.2° | 109.6° |
| N10 | C09 | C17 | 110.6° | 109.5° |
| C09 | N10 | C16 | 114.1° | 111.0° |
| C09 | N10 | C11 | 111.2° | 111.0° |
| N10 | C09 | H091 | 109.9° | 109.6° |
| C09 | C17 | C18 | 108.5° | 109.2° |
| C09 | C17 | H171 | 109.7° | 109.5° |
| C09 | C17 | H172 | 109.7° | 109.5° |
| C17 | C09 | H091 | 108.4° | 109.5° |
| C16 | N10 | C11 | 119.5° | 110.9° |
| N10 | C16 | C15 | 116.9° | 109.4° |
| N10 | C16 | H162 | 107.6° | 109.5° |
| N10 | C16 | H161 | 107.5° | 109.5° |
| N10 | C11 | C12 | 115.2° | 109.4° |
| N10 | C11 | H111 | 108.0° | 109.4° |
| N10 | C11 | H112 | 108.0° | 109.5° |
| C11 | C12 | N13 | 108.7° | 109.4° |
| C12 | C11 | H111 | 108.0° | 109.5° |
| C12 | C11 | H112 | 108.0° | 109.5° |
| C11 | C12 | H121 | 109.6° | 109.5° |
| C11 | C12 | H122 | 109.7° | 109.5° |
| C12 | N13 | C14 | 109.2° | 111.0° |
| C12 | N13 | C15 | 108.5° | 110.9° |
| N13 | C12 | H121 | 109.6° | 109.5° |
| N13 | C12 | H122 | 109.6° | 109.5° |
| C14 | N13 | C15 | 109.1° | 111.1° |
| N13 | C14 | H143 | 109.5° | 109.4° |
| N13 | C14 | H141 | 109.5° | 109.4° |
| N13 | C14 | H142 | 109.4° | 109.5° |
| N13 | C15 | C16 | 113.2° | 109.3° |
| N13 | C15 | H152 | 108.6° | 109.5° |
| N13 | C15 | H151 | 108.5° | 109.5° |
| C16 | C15 | H152 | 108.5° | 109.5° |
| C16 | C15 | H151 | 108.5° | 109.5° |
| C15 | C16 | H162 | 107.6° | 109.5° |
| C15 | C16 | H161 | 107.6° | 109.5° |
| C18 | C17 | H171 | 109.7° | 109.5° |
| C18 | C17 | H172 | 109.7° | 109.5° |
| C17 | C18 | H182 | 108.3° | 109.4° |
| C17 | C18 | H181 | 108.4° | 109.4° |
| C20 | C19 | C22 | 120.0° | 119.9° |
| C19 | C20 | C21 | 107.5° | 109.5° |
| C19 | C20 | H202 | 110.0° | 109.5° |
| C19 | C20 | H201 | 110.0° | 109.5° |
| C19 | C22 | C23 | 118.3° | 120.1° |
| C19 | C22 | H221 | 120.8° | 120.0° |
| C21 | C20 | H202 | 109.9° | 109.5° |
| C21 | C20 | H201 | 110.0° | 109.4° |
| C20 | C21 | H213 | 109.5° | 109.4° |
| C20 | C21 | H211 | 109.5° | 109.5° |
| C20 | C21 | H212 | 109.5° | 109.5° |
| C22 | C23 | N24 | 121.8° | 120.0° |
| C23 | C22 | H221 | 120.9° | 119.9° |
| C23 | N24 | C25 | 121.3° | 120.0° |
| C23 | N24 | H241 | 119.3° | 120.0° |
| N24 | C25 | N50 | 122.7° | 118.7° |
| N24 | C25 | N26 | 116.9° | 118.8° |
| C25 | N24 | H241 | 119.3° | 120.1° |
| N50 | C25 | N26 | 120.5° | 122.5° |
| C25 | N50 | C32 | 119.1° | 120.9° |
| C25 | N26 | C27 | 120.0° | 120.7° |
| N26 | C27 | N31 | 131.2° | 134.2° |
| N26 | C27 | C28 | 119.8° | 118.6° |
| N31 | C27 | C28 | 109.0° | 107.2° |
| C27 | N31 | C30 | 106.8° | 110.0° |
| C27 | N31 | H311 | 126.6° | 125.0° |
| C27 | C28 | C29 | 108.0° | 106.2° |
| C27 | C28 | C32 | 120.7° | 118.8° |
| C29 | C28 | C32 | 131.3° | 135.0° |
| C28 | C29 | C30 | 107.3° | 106.8° |
| C28 | C29 | H291 | 126.3° | 126.6° |
| C28 | C32 | N33 | 119.1° | 120.8° |
| C28 | C32 | N50 | 119.9° | 118.5° |
| C29 | C30 | N31 | 108.9° | 109.8° |
| C30 | C29 | H291 | 126.3° | 126.6° |
| C29 | C30 | H301 | 125.6° | 125.1° |
| N31 | C30 | H301 | 125.6° | 125.1° |
| C30 | N31 | H311 | 126.6° | 125.0° |
| N33 | C32 | N50 | 121.0° | 120.7° |
| C32 | N33 | C34 | 119.0° | 120.0° |
| C32 | N33 | H331 | 120.5° | 120.0° |
| N33 | C34 | C43 | 122.1° | 119.7° |
| N33 | C34 | C35 | 118.8° | 119.7° |
| C34 | N33 | H331 | 120.5° | 120.0° |
| C43 | C34 | C35 | 119.1° | 120.6° |
| C34 | C43 | C42 | 121.3° | 119.4° |
| C34 | C43 | N44 | 123.3° | 120.3° |
| C34 | C35 | C36 | 119.3° | 121.0° |
| C34 | C35 | H351 | 120.3° | 119.5° |
| C35 | C36 | C37 | 120.4° | 120.1° |
| C36 | C35 | H351 | 120.4° | 119.5° |
| C35 | C36 | H361 | 119.8° | 119.9° |
| C36 | C37 | N38 | 120.9° | 120.9° |
| C36 | C37 | C42 | 119.8° | 119.5° |
| C37 | C36 | H361 | 119.8° | 120.0° |
| N38 | C37 | C42 | 119.3° | 119.5° |
| C37 | N38 | C39 | 120.3° | 119.7° |
| C37 | C42 | N41 | 121.2° | 119.6° |
| C37 | C42 | C43 | 120.0° | 119.3° |
| N38 | C39 | C40 | 119.9° | 120.7° |
| N38 | C39 | H391 | 120.1° | 119.6° |
| C39 | C40 | N41 | 119.4° | 120.7° |
| C40 | C39 | H391 | 120.1° | 119.6° |
| C39 | C40 | H401 | 120.3° | 119.6° |
| C40 | N41 | C42 | 119.9° | 119.7° |
| N41 | C40 | H401 | 120.3° | 119.6° |
| N41 | C42 | C43 | 118.7° | 121.1° |
| C42 | C43 | N44 | 115.4° | 120.3° |
| C43 | N44 | S45 | 118.0° | 120.0° |
| C43 | N44 | C49 | 121.5° | 120.0° |
| S45 | N44 | C49 | 120.5° | 120.0° |
| N44 | S45 | O46 | 109.8° | 104.3° |
| N44 | S45 | C47 | 111.6° | 104.5° |
| N44 | S45 | O48 | 108.3° | 104.3° |
| N44 | C49 | H493 | 109.5° | 109.5° |
| N44 | C49 | H491 | 109.5° | 109.4° |
| N44 | C49 | H492 | 109.5° | 109.5° |
| O46 | S45 | C47 | 111.0° | 110.5° |
| O46 | S45 | O48 | 102.5° | 121.1° |
| C47 | S45 | O48 | 113.3° | 110.5° |
| S45 | C47 | H472 | 109.5° | 109.5° |
| S45 | C47 | H473 | 109.5° | 109.5° |
| S45 | C47 | H471 | 109.4° | 109.5° |
| H152 | C15 | H151 | 109.5° | 109.5° |
| H171 | C17 | H172 | 109.5° | 109.6° |
| H202 | C20 | H201 | 109.5° | 109.5° |
| H213 | C21 | H211 | 109.5° | 109.5° |
| H213 | C21 | H212 | 109.5° | 109.4° |
| H211 | C21 | H212 | 109.4° | 109.5° |
| H013 | C01 | H011 | 109.5° | 109.5° |
| H013 | C01 | H012 | 109.5° | 109.5° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H071 | C07 | H072 | 109.5° | 109.4° |
| H081 | C08 | H082 | 109.5° | 109.5° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H121 | C12 | H122 | 109.5° | 109.5° |
| H143 | C14 | H141 | 109.5° | 109.5° |
| H143 | C14 | H142 | 109.5° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.4° |
| H162 | C16 | H161 | 109.5° | 109.4° |
| H182 | C18 | H181 | 109.5° | 109.5° |
| H472 | C47 | H473 | 109.4° | 109.5° |
| H472 | C47 | H471 | 109.5° | 109.4° |
| H473 | C47 | H471 | 109.5° | 109.5° |
| H493 | C49 | H491 | 109.5° | 109.5° |
| H493 | C49 | H492 | 109.5° | 109.5° |
| H491 | C49 | H492 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | O02 | C03 | C04 | 48.6° | 0.0° |
| C01 | O02 | C03 | C23 | 131.2° | 179.5° |
| O02 | C01 | H013 | H011 | 120.0° | 120.0° |
| O02 | C01 | H013 | H012 | 120.0° | 120.0° |
| O02 | C01 | H011 | H012 | 120.0° | 120.0° |
| O02 | C03 | C04 | C23 | 179.8° | 179.6° |
| O02 | C03 | C04 | C05 | 179.9° | 180.0° |
| O02 | C03 | C23 | C22 | 179.9° | 179.5° |
| O02 | C03 | C23 | N24 | 0.4° | 0.5° |
| C03 | O02 | C01 | H013 | 180.0° | 180.0° |
| C03 | O02 | C01 | H011 | 60.0° | 60.0° |
| C03 | O02 | C01 | H012 | 60.0° | 60.0° |
| O02 | C03 | C04 | H041 | 0.1° | 0.5° |
| C03 | C04 | C05 | H041 | 180.0° | 179.5° |
| C03 | C04 | C05 | N06 | 179.3° | 180.0° |
| C03 | C04 | C05 | C19 | 0.0° | 0.7° |
| C04 | C03 | C23 | C22 | 0.1° | 0.1° |
| C04 | C03 | C23 | N24 | 179.8° | 180.0° |
| C23 | C03 | C04 | C05 | 0.1° | 0.5° |
| C03 | C23 | C22 | C19 | 0.1° | 0.3° |
| C03 | C23 | C22 | N24 | 179.7° | 179.9° |
| C03 | C23 | N24 | C25 | 164.2° | 146.9° |
| C03 | C23 | C22 | H221 | 179.9° | 180.0° |
| C23 | C03 | C04 | H041 | 179.9° | 179.9° |
| C03 | C23 | N24 | H241 | 15.8° | 33.1° |
| C04 | C05 | N06 | C19 | 179.3° | 179.3° |
| C04 | C05 | N06 | C18 | 83.6° | 60.0° |
| C04 | C05 | N06 | C07 | 55.3° | 64.2° |
| C04 | C05 | C19 | C20 | 179.6° | 179.5° |
| C04 | C05 | C19 | C22 | 0.2° | 0.5° |
| C05 | N06 | C18 | C07 | 141.9° | 124.1° |
| C05 | N06 | C07 | C08 | 174.9° | 174.1° |
| C05 | N06 | C18 | C17 | 173.3° | 174.1° |
| N06 | C05 | C19 | C20 | 0.3° | 0.2° |
| N06 | C05 | C19 | C22 | 179.5° | 179.8° |
| N06 | C05 | C04 | H041 | 0.7° | 0.5° |
| C05 | N06 | C07 | H071 | 64.5° | 54.1° |
| C05 | N06 | C07 | H072 | 54.4° | 65.8° |
| C05 | N06 | C18 | H182 | 52.7° | 65.8° |
| C05 | N06 | C18 | H181 | 66.0° | 54.1° |
| C19 | C05 | N06 | C18 | 97.1° | 120.7° |
| C19 | C05 | N06 | C07 | 124.0° | 115.1° |
| C05 | C19 | C20 | C22 | 179.8° | 180.0° |
| C05 | C19 | C20 | C21 | 171.0° | 85.0° |
| C05 | C19 | C22 | C23 | 0.2° | 0.0° |
| C05 | C19 | C20 | H202 | 69.3° | 35.0° |
| C05 | C19 | C20 | H201 | 51.3° | 155.0° |
| C05 | C19 | C22 | H221 | 179.8° | 179.8° |
| C19 | C05 | C04 | H041 | 180.0° | 179.8° |
| C18 | N06 | C07 | C08 | 42.7° | 61.7° |
| N06 | C18 | C17 | C09 | 57.5° | 59.2° |
| N06 | C18 | C17 | H182 | 120.6° | 120.0° |
| N06 | C18 | C17 | H181 | 120.6° | 120.0° |
| N06 | C18 | C17 | H171 | 177.3° | 179.1° |
| N06 | C18 | C17 | H172 | 62.4° | 60.7° |
| C18 | N06 | C07 | H071 | 77.8° | 178.2° |
| C18 | N06 | C07 | H072 | 163.2° | 58.3° |
| N06 | C18 | H182 | H181 | 118.0° | 120.0° |
| N06 | C07 | C08 | H071 | 120.6° | 120.0° |
| N06 | C07 | C08 | H072 | 120.5° | 120.0° |
| N06 | C07 | C08 | C09 | 54.4° | 59.2° |
| C07 | N06 | C18 | C17 | 44.8° | 61.7° |
| N06 | C07 | H071 | H072 | 118.3° | 119.9° |
| N06 | C07 | C08 | H081 | 174.5° | 179.1° |
| N06 | C07 | C08 | H082 | 65.8° | 60.7° |
| C07 | N06 | C18 | H182 | 165.4° | 58.3° |
| C07 | N06 | C18 | H181 | 75.8° | 178.3° |
| C07 | C08 | C09 | H081 | 120.2° | 119.9° |
| C07 | C08 | C09 | H082 | 120.1° | 120.0° |
| C07 | C08 | C09 | N10 | 171.9° | 177.6° |
| C07 | C08 | C09 | C17 | 66.3° | 57.7° |
| C08 | C07 | H071 | H072 | 118.3° | 120.0° |
| C07 | C08 | H081 | H082 | 119.5° | 120.1° |
| C07 | C08 | C09 | H091 | 51.0° | 62.2° |
| C08 | C09 | N10 | C17 | 120.4° | 119.7° |
| C08 | C09 | N10 | H091 | 120.0° | 120.2° |
| C08 | C09 | C17 | H091 | 117.1° | 120.0° |
| C08 | C09 | N10 | C16 | 78.9° | 170.0° |
| C08 | C09 | N10 | C11 | 59.9° | 66.2° |
| C08 | C09 | C17 | C18 | 66.9° | 57.7° |
| C08 | C09 | C17 | H171 | 173.3° | 177.6° |
| C08 | C09 | C17 | H172 | 53.0° | 62.3° |
| C09 | C08 | C07 | H071 | 66.2° | 179.2° |
| C09 | C08 | C07 | H072 | 174.9° | 60.8° |
| C09 | C08 | H081 | H082 | 119.5° | 120.1° |
| N10 | C09 | C17 | H091 | 120.5° | 120.1° |
| C09 | N10 | C16 | C11 | 135.1° | 123.9° |
| C09 | N10 | C11 | C12 | 115.8° | 176.8° |
| C09 | N10 | C16 | C15 | 125.5° | 176.8° |
| N10 | C09 | C17 | C18 | 170.8° | 177.6° |
| N10 | C09 | C17 | H171 | 50.9° | 62.5° |
| N10 | C09 | C17 | H172 | 69.4° | 57.6° |
| N10 | C09 | C08 | H081 | 51.7° | 62.5° |
| N10 | C09 | C08 | H082 | 68.0° | 57.6° |
| C09 | N10 | C11 | H111 | 123.4° | 63.2° |
| C09 | N10 | C11 | H112 | 5.0° | 56.8° |
| C09 | N10 | C16 | H162 | 4.4° | 56.8° |
| C09 | N10 | C16 | H161 | 113.5° | 63.2° |
| C17 | C09 | N10 | C16 | 41.5° | 70.3° |
| C17 | C09 | N10 | C11 | 179.7° | 53.5° |
| C09 | C17 | C18 | H171 | 119.8° | 119.9° |
| C09 | C17 | C18 | H172 | 119.9° | 119.9° |
| C09 | C17 | H171 | H172 | 120.5° | 120.1° |
| C17 | C09 | C08 | H081 | 173.5° | 177.6° |
| C17 | C09 | C08 | H082 | 53.9° | 62.3° |
| C09 | C17 | C18 | H182 | 178.1° | 60.9° |
| C09 | C17 | C18 | H181 | 63.1° | 179.2° |
| C16 | N10 | C11 | C12 | 20.5° | 59.3° |
| N10 | C16 | C15 | N13 | 28.1° | 58.4° |
| N10 | C16 | C15 | H162 | 121.1° | 120.0° |
| N10 | C16 | C15 | H161 | 121.1° | 120.0° |
| N10 | C16 | C15 | H152 | 148.6° | 178.4° |
| N10 | C16 | C15 | H151 | 92.5° | 61.6° |
| C16 | N10 | C09 | H091 | 161.2° | 49.8° |
| C16 | N10 | C11 | H111 | 100.3° | 60.7° |
| C16 | N10 | C11 | H112 | 141.3° | 179.3° |
| N10 | C16 | H162 | H161 | 116.6° | 120.0° |
| N10 | C11 | C12 | H111 | 120.8° | 119.9° |
| N10 | C11 | C12 | H112 | 120.9° | 120.0° |
| N10 | C11 | C12 | N13 | 49.6° | 58.4° |
| C11 | N10 | C16 | C15 | 9.6° | 59.3° |
| C11 | N10 | C09 | H091 | 60.1° | 173.6° |
| N10 | C11 | H111 | H112 | 117.4° | 120.0° |
| N10 | C11 | C12 | H121 | 169.5° | 61.6° |
| N10 | C11 | C12 | H122 | 70.2° | 178.3° |
| C11 | N10 | C16 | H162 | 130.7° | 179.3° |
| C11 | N10 | C16 | H161 | 111.4° | 60.7° |
| C11 | C12 | N13 | H121 | 119.9° | 120.0° |
| C11 | C12 | N13 | H122 | 119.9° | 120.0° |
| C11 | C12 | N13 | C14 | 172.9° | 64.6° |
| C11 | C12 | N13 | C15 | 68.2° | 59.4° |
| C12 | C11 | H111 | H112 | 117.4° | 120.1° |
| C11 | C12 | H121 | H122 | 120.4° | 120.1° |
| C12 | N13 | C14 | C15 | 118.5° | 123.9° |
| C12 | N13 | C15 | C16 | 58.0° | 59.3° |
| C12 | N13 | C15 | H152 | 178.5° | 179.3° |
| C12 | N13 | C15 | H151 | 62.6° | 60.6° |
| N13 | C12 | C11 | H111 | 71.2° | 61.6° |
| N13 | C12 | C11 | H112 | 170.5° | 178.4° |
| N13 | C12 | H121 | H122 | 120.3° | 120.0° |
| C12 | N13 | C14 | H143 | 180.0° | 60.1° |
| C12 | N13 | C14 | H141 | 60.0° | 180.0° |
| C12 | N13 | C14 | H142 | 60.0° | 60.0° |
| C14 | N13 | C15 | C16 | 176.8° | 64.6° |
| C14 | N13 | C15 | H152 | 62.6° | 55.4° |
| C14 | N13 | C15 | H151 | 56.3° | 175.5° |
| C14 | N13 | C12 | H121 | 53.0° | 175.4° |
| C14 | N13 | C12 | H122 | 67.2° | 55.4° |
| N13 | C14 | H143 | H141 | 120.0° | 119.9° |
| N13 | C14 | H143 | H142 | 120.0° | 120.1° |
| N13 | C14 | H141 | H142 | 119.9° | 120.0° |
| N13 | C15 | C16 | H152 | 120.6° | 119.9° |
| N13 | C15 | C16 | H151 | 120.6° | 120.0° |
| N13 | C15 | H152 | H151 | 118.3° | 120.1° |
| C15 | N13 | C12 | H121 | 171.9° | 60.6° |
| C15 | N13 | C12 | H122 | 51.7° | 179.3° |
| C15 | N13 | C14 | H143 | 61.5° | 63.8° |
| C15 | N13 | C14 | H141 | 178.4° | 56.2° |
| C15 | N13 | C14 | H142 | 58.5° | 176.2° |
| N13 | C15 | C16 | H162 | 149.2° | 178.4° |
| N13 | C15 | C16 | H161 | 93.0° | 61.6° |
| C16 | C15 | H152 | H151 | 118.2° | 120.0° |
| C15 | C16 | H162 | H161 | 116.6° | 120.0° |
| C18 | C17 | H171 | H172 | 120.4° | 120.2° |
| C18 | C17 | C09 | H091 | 50.2° | 62.3° |
| C17 | C18 | H182 | H181 | 118.0° | 119.9° |
| C19 | C20 | C21 | H202 | 119.7° | 120.0° |
| C19 | C20 | C21 | H201 | 119.7° | 120.0° |
| C20 | C19 | C22 | C23 | 179.6° | 180.0° |
| C19 | C20 | H202 | H201 | 120.9° | 120.1° |
| C19 | C20 | C21 | H213 | 180.0° | 60.0° |
| C19 | C20 | C21 | H211 | 60.0° | 60.0° |
| C19 | C20 | C21 | H212 | 60.0° | 179.9° |
| C20 | C19 | C22 | H221 | 0.4° | 0.3° |
| C22 | C19 | C20 | C21 | 8.9° | 95.0° |
| C19 | C22 | C23 | H221 | 180.0° | 179.7° |
| C19 | C22 | C23 | N24 | 179.6° | 179.7° |
| C22 | C19 | C20 | H202 | 110.8° | 145.0° |
| C22 | C19 | C20 | H201 | 128.5° | 25.0° |
| C21 | C20 | H202 | H201 | 120.9° | 119.9° |
| C20 | C21 | H213 | H211 | 120.0° | 120.0° |
| C20 | C21 | H213 | H212 | 120.0° | 120.0° |
| C20 | C21 | H211 | H212 | 120.0° | 120.0° |
| C22 | C23 | N24 | C25 | 16.1° | 33.2° |
| C22 | C23 | N24 | H241 | 163.9° | 146.8° |
| C23 | N24 | C25 | H241 | 180.0° | 180.0° |
| C23 | N24 | C25 | N50 | 6.2° | 173.6° |
| C23 | N24 | C25 | N26 | 174.2° | 6.2° |
| N24 | C23 | C22 | H221 | 0.4° | 0.0° |
| N24 | C25 | N50 | N26 | 179.5° | 179.8° |
| N24 | C25 | N26 | C27 | 179.9° | 180.0° |
| N24 | C25 | N50 | C32 | 179.8° | 180.0° |
| N50 | C25 | N26 | C27 | 0.3° | 0.2° |
| C25 | N50 | C32 | C28 | 0.2° | 0.1° |
| C25 | N50 | C32 | N33 | 179.1° | 179.9° |
| N50 | C25 | N24 | H241 | 173.7° | 6.4° |
| C25 | N26 | C27 | N31 | 179.8° | 179.9° |
| C25 | N26 | C27 | C28 | 0.1° | 0.1° |
| N26 | C25 | N50 | C32 | 0.3° | 0.2° |
| N26 | C25 | N24 | H241 | 5.8° | 173.8° |
| N26 | C27 | N31 | C28 | 179.9° | 179.9° |
| N26 | C27 | C28 | C29 | 180.0° | 180.0° |
| N26 | C27 | C28 | C32 | 0.5° | 0.3° |
| N26 | C27 | N31 | C30 | 179.9° | 179.7° |
| N26 | C27 | N31 | H311 | 0.1° | 0.1° |
| N31 | C27 | C28 | C29 | 0.1° | 0.1° |
| N31 | C27 | C28 | C32 | 179.4° | 179.8° |
| C27 | N31 | C30 | C29 | 0.1° | 0.4° |
| C27 | N31 | C30 | H311 | 180.0° | 179.8° |
| C27 | N31 | C30 | H301 | 179.9° | 180.0° |
| C27 | C28 | C29 | C32 | 179.4° | 179.6° |
| C27 | C28 | C29 | C30 | 0.2° | 0.3° |
| C28 | C27 | N31 | C30 | 0.0° | 0.2° |
| C27 | C28 | C32 | N33 | 179.5° | 179.6° |
| C27 | C28 | C32 | N50 | 0.6° | 0.3° |
| C27 | C28 | C29 | H291 | 179.8° | 179.7° |
| C28 | C27 | N31 | H311 | 180.0° | 180.0° |
| C28 | C29 | C30 | H291 | 180.0° | 179.9° |
| C28 | C29 | C30 | N31 | 0.1° | 0.5° |
| C29 | C28 | C32 | N33 | 1.1° | 0.0° |
| C29 | C28 | C32 | N50 | 180.0° | 179.9° |
| C28 | C29 | C30 | H301 | 179.9° | 179.9° |
| C32 | C28 | C29 | C30 | 179.3° | 180.0° |
| C28 | C32 | N33 | N50 | 178.9° | 179.9° |
| C28 | C32 | N33 | C34 | 170.1° | 174.3° |
| C32 | C28 | C29 | H291 | 0.7° | 0.1° |
| C28 | C32 | N33 | H331 | 9.9° | 5.8° |
| C29 | C30 | N31 | H301 | 180.0° | 179.6° |
| C29 | C30 | N31 | H311 | 179.9° | 179.8° |
| N31 | C30 | C29 | H291 | 179.8° | 179.6° |
| C32 | N33 | C34 | H331 | 180.0° | 179.9° |
| C32 | N33 | C34 | C43 | 148.5° | 152.5° |
| C32 | N33 | C34 | C35 | 31.5° | 27.3° |
| N50 | C32 | N33 | C34 | 10.9° | 5.7° |
| N50 | C32 | N33 | H331 | 169.1° | 174.3° |
| N33 | C34 | C43 | C35 | 180.0° | 179.8° |
| N33 | C34 | C35 | C36 | 180.0° | 179.8° |
| N33 | C34 | C43 | C42 | 179.8° | 179.8° |
| N33 | C34 | C43 | N44 | 0.1° | 0.2° |
| N33 | C34 | C35 | H351 | 0.0° | 0.2° |
| C43 | C34 | C35 | C36 | 0.0° | 0.0° |
| C34 | C43 | C42 | C37 | 0.2° | 0.0° |
| C34 | C43 | C42 | N41 | 179.9° | 179.9° |
| C34 | C43 | C42 | N44 | 179.6° | 180.0° |
| C34 | C43 | N44 | S45 | 46.4° | 90.0° |
| C34 | C43 | N44 | C49 | 135.3° | 90.0° |
| C43 | C34 | C35 | H351 | 180.0° | 180.0° |
| C43 | C34 | N33 | H331 | 31.5° | 27.4° |
| C34 | C35 | C36 | H351 | 180.0° | 180.0° |
| C34 | C35 | C36 | C37 | 0.2° | 0.0° |
| C35 | C34 | C43 | C42 | 0.2° | 0.0° |
| C35 | C34 | C43 | N44 | 179.8° | 180.0° |
| C34 | C35 | C36 | H361 | 179.8° | 180.0° |
| C35 | C34 | N33 | H331 | 148.5° | 152.8° |
| C35 | C36 | C37 | H361 | 180.0° | 179.9° |
| C35 | C36 | C37 | N38 | 179.7° | 180.0° |
| C35 | C36 | C37 | C42 | 0.3° | 0.1° |
| C36 | C37 | N38 | C42 | 179.5° | 179.9° |
| C36 | C37 | N38 | C39 | 179.7° | 180.0° |
| C36 | C37 | C42 | N41 | 179.7° | 179.9° |
| C36 | C37 | C42 | C43 | 0.0° | 0.0° |
| C37 | C36 | C35 | H351 | 179.7° | 180.0° |
| C37 | N38 | C39 | C40 | 0.1° | 0.1° |
| N38 | C37 | C42 | N41 | 0.2° | 0.0° |
| N38 | C37 | C42 | C43 | 179.5° | 180.0° |
| N38 | C37 | C36 | H361 | 0.3° | 0.1° |
| C37 | N38 | C39 | H391 | 179.8° | 180.0° |
| C42 | C37 | N38 | C39 | 0.2° | 0.1° |
| C37 | C42 | N41 | C40 | 0.1° | 0.1° |
| C37 | C42 | N41 | C43 | 179.7° | 180.0° |
| C37 | C42 | C43 | N44 | 179.8° | 180.0° |
| C42 | C37 | C36 | H361 | 179.8° | 180.0° |
| N38 | C39 | C40 | H391 | 180.0° | 179.8° |
| N38 | C39 | C40 | N41 | 0.5° | 0.1° |
| N38 | C39 | C40 | H401 | 179.5° | 179.9° |
| C39 | C40 | N41 | H401 | 180.0° | 180.0° |
| C39 | C40 | N41 | C42 | 0.5° | 0.0° |
| C40 | N41 | C42 | C43 | 179.9° | 180.0° |
| N41 | C40 | C39 | H391 | 179.5° | 179.9° |
| N41 | C42 | C43 | N44 | 0.5° | 0.1° |
| C42 | N41 | C40 | H401 | 179.5° | 180.0° |
| C42 | C43 | N44 | S45 | 133.3° | 90.0° |
| C42 | C43 | N44 | C49 | 45.1° | 90.0° |
| C43 | N44 | S45 | C49 | 178.3° | 180.0° |
| C43 | N44 | S45 | O46 | 146.7° | 26.1° |
| C43 | N44 | S45 | C47 | 89.8° | 90.0° |
| C43 | N44 | S45 | O48 | 35.5° | 154.0° |
| C43 | N44 | C49 | H493 | 180.0° | 90.0° |
| C43 | N44 | C49 | H491 | 60.0° | 150.0° |
| C43 | N44 | C49 | H492 | 60.0° | 30.0° |
| N44 | S45 | O46 | C47 | 123.9° | 111.7° |
| N44 | S45 | O46 | O48 | 114.9° | 116.8° |
| N44 | S45 | C47 | O48 | 122.5° | 111.6° |
| N44 | S45 | C47 | H472 | 180.0° | 59.9° |
| N44 | S45 | C47 | H473 | 60.0° | 180.0° |
| N44 | S45 | C47 | H471 | 60.0° | 60.0° |
| S45 | N44 | C49 | H493 | 1.7° | 90.0° |
| S45 | N44 | C49 | H491 | 118.3° | 30.0° |
| S45 | N44 | C49 | H492 | 121.7° | 150.0° |
| C49 | N44 | S45 | O46 | 35.0° | 153.9° |
| C49 | N44 | S45 | C47 | 88.5° | 90.0° |
| C49 | N44 | S45 | O48 | 146.2° | 26.1° |
| N44 | C49 | H493 | H491 | 120.0° | 120.0° |
| N44 | C49 | H493 | H492 | 120.0° | 120.0° |
| N44 | C49 | H491 | H492 | 120.0° | 120.0° |
| O46 | S45 | C47 | O48 | 114.6° | 136.8° |
| O46 | S45 | C47 | H472 | 57.2° | 171.6° |
| O46 | S45 | C47 | H473 | 177.1° | 68.4° |
| O46 | S45 | C47 | H471 | 62.8° | 51.6° |
| S45 | C47 | H472 | H473 | 120.0° | 120.1° |
| S45 | C47 | H472 | H471 | 120.0° | 120.0° |
| S45 | C47 | H473 | H471 | 120.0° | 120.0° |
| O48 | S45 | C47 | H472 | 57.5° | 51.6° |
| O48 | S45 | C47 | H473 | 62.5° | 68.4° |
| O48 | S45 | C47 | H471 | 177.5° | 171.6° |
| H152 | C15 | C16 | H162 | 90.2° | 61.6° |
| H152 | C15 | C16 | H161 | 27.6° | 58.4° |
| H151 | C15 | C16 | H162 | 28.6° | 58.4° |
| H151 | C15 | C16 | H161 | 146.5° | 178.4° |
| H171 | C17 | C09 | H091 | 69.6° | 57.6° |
| H171 | C17 | C18 | H182 | 62.0° | 59.1° |
| H171 | C17 | C18 | H181 | 56.7° | 60.9° |
| H172 | C17 | C09 | H091 | 170.1° | 177.8° |
| H172 | C17 | C18 | H182 | 58.3° | 179.2° |
| H172 | C17 | C18 | H181 | 177.0° | 59.3° |
| H202 | C20 | C21 | H213 | 60.3° | 60.0° |
| H202 | C20 | C21 | H211 | 179.7° | 180.0° |
| H202 | C20 | C21 | H212 | 59.7° | 59.9° |
| H201 | C20 | C21 | H213 | 60.3° | 180.0° |
| H201 | C20 | C21 | H211 | 59.7° | 60.0° |
| H201 | C20 | C21 | H212 | 179.7° | 60.0° |
| H213 | C21 | H211 | H212 | 120.0° | 120.0° |
| H013 | C01 | H011 | H012 | 120.0° | 120.0° |
| H071 | C07 | C08 | H081 | 54.0° | 60.9° |
| H071 | C07 | C08 | H082 | 173.7° | 59.3° |
| H072 | C07 | C08 | H081 | 64.9° | 59.1° |
| H072 | C07 | C08 | H082 | 54.8° | 179.2° |
| H081 | C08 | C09 | H091 | 69.2° | 57.7° |
| H082 | C08 | C09 | H091 | 171.1° | 177.8° |
| H111 | C11 | C12 | H121 | 48.7° | 178.5° |
| H111 | C11 | C12 | H122 | 168.9° | 58.4° |
| H112 | C11 | C12 | H121 | 69.6° | 58.5° |
| H112 | C11 | C12 | H122 | 50.6° | 61.6° |
| H143 | C14 | H141 | H142 | 120.0° | 120.0° |
| H291 | C29 | C30 | H301 | 0.1° | 0.0° |
| H301 | C30 | N31 | H311 | 0.0° | 0.2° |
| H351 | C35 | C36 | H361 | 0.2° | 0.0° |
| H391 | C39 | C40 | H401 | 0.5° | 0.1° |
| H472 | C47 | H473 | H471 | 120.0° | 119.9° |
| H493 | C49 | H491 | H492 | 120.0° | 120.0° |
