Obsolete: PI1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C4 | sing | 1.53Å | 1.53Å | |
| C1 | C23 | sing | 1.53Å | 1.56Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | O3 | doub | 1.21Å | 1.23Å | |
| C2 | C4 | sing | 1.51Å | 1.52Å | |
| C2 | N5 | sing | 1.37Å | 1.33Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42A | sing | 1.09Å | 1.10Å | |
| N5 | C6 | sing | 1.49Å | 1.48Å | |
| N5 | HN5 | sing | 0.97Å | 1.00Å | |
| C6 | C7 | sing | 1.51Å | 1.52Å | |
| C6 | C9 | sing | 1.53Å | 1.53Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | O8 | doub | 1.21Å | 1.23Å | |
| C7 | N13 | sing | 1.36Å | 1.33Å | |
| C9 | C10 | sing | 1.51Å | 1.51Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C10 | O11 | doub | 1.21Å | 1.23Å | |
| C10 | N12 | sing | 1.35Å | 1.33Å | |
| N12 | H121 | sing | 0.97Å | 1.00Å | |
| N12 | H122 | sing | 0.97Å | 1.00Å | |
| N13 | C14 | sing | 1.48Å | 1.47Å | |
| N13 | H13 | sing | 0.97Å | 1.00Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C14 | C24 | sing | 1.53Å | 1.53Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | C16 | sing | 1.51Å | 1.50Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | O22 | sing | 1.36Å | 1.40Å | |
| O22 | C23 | sing | 1.43Å | 1.43Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C24 | O25 | sing | 1.43Å | 1.44Å | |
| C24 | C26 | sing | 1.53Å | 1.51Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| O25 | H25 | sing | 0.97Å | 0.95Å | |
| C26 | N27 | sing | 1.47Å | 1.47Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| N27 | C28 | sing | 1.47Å | 1.46Å | |
| N27 | C33 | sing | 1.48Å | 1.47Å | |
| C28 | C29 | sing | 1.51Å | 1.53Å | |
| C28 | C31 | sing | 1.54Å | 1.52Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | O30 | doub | 1.21Å | 1.23Å | |
| C29 | N34 | sing | 1.35Å | 1.33Å | |
| C31 | C32 | sing | 1.55Å | 1.49Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C32 | C33 | sing | 1.55Å | 1.52Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| N34 | C35 | sing | 1.47Å | 1.46Å | |
| N34 | H34 | sing | 0.97Å | 1.00Å | |
| C35 | C36 | sing | 1.51Å | 1.52Å | |
| C35 | C38 | sing | 1.53Å | 1.55Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C36 | O37 | doub | 1.21Å | 1.23Å | |
| C36 | N42 | sing | 1.35Å | 1.33Å | |
| C38 | C39 | sing | 1.53Å | 1.53Å | |
| C38 | C40 | sing | 1.53Å | 1.53Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C39 | C41 | sing | 1.53Å | 1.49Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| C40 | H403 | sing | 1.09Å | 1.10Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| C41 | H413 | sing | 1.09Å | 1.10Å | |
| N42 | C43 | sing | 1.47Å | 1.47Å | |
| N42 | H42 | sing | 0.97Å | 1.00Å | |
| C43 | C44 | sing | 1.51Å | 1.53Å | |
| C43 | C46 | sing | 1.53Å | 1.56Å | |
| C43 | H43 | sing | 1.09Å | 1.10Å | |
| C44 | O45 | doub | 1.21Å | 1.24Å | |
| C44 | N49 | sing | 1.35Å | 1.33Å | |
| C46 | C47 | sing | 1.53Å | 1.52Å | |
| C46 | C48 | sing | 1.53Å | 1.53Å | |
| C46 | H46 | sing | 1.09Å | 1.10Å | |
| C47 | H471 | sing | 1.09Å | 1.10Å | |
| C47 | H472 | sing | 1.09Å | 1.10Å | |
| C47 | H473 | sing | 1.09Å | 1.10Å | |
| C48 | H481 | sing | 1.09Å | 1.10Å | |
| C48 | H482 | sing | 1.09Å | 1.10Å | |
| C48 | H483 | sing | 1.09Å | 1.10Å | |
| N49 | H491 | sing | 0.97Å | 1.00Å | |
| N49 | H492 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C1 | C23 | 114.3° | 109.3° |
| C4 | C1 | H11 | 108.3° | 109.5° |
| C4 | C1 | H12 | 108.2° | 109.5° |
| C1 | C4 | C2 | 111.1° | 109.7° |
| C1 | C4 | H41 | 109.1° | 109.4° |
| C1 | C4 | H42A | 109.0° | 109.4° |
| C23 | C1 | H11 | 108.2° | 109.5° |
| C23 | C1 | H12 | 108.2° | 109.5° |
| C1 | C23 | O22 | 112.9° | 109.1° |
| C1 | C23 | H231 | 108.6° | 109.5° |
| C1 | C23 | H232 | 108.6° | 109.5° |
| H11 | C1 | H12 | 109.5° | 109.5° |
| O3 | C2 | C4 | 120.8° | 120.8° |
| O3 | C2 | N5 | 122.5° | 120.7° |
| C4 | C2 | N5 | 116.8° | 118.5° |
| C2 | C4 | H41 | 109.1° | 109.4° |
| C2 | C4 | H42A | 109.1° | 109.4° |
| C2 | N5 | C6 | 121.9° | 114.0° |
| C2 | N5 | HN5 | 119.0° | 123.0° |
| H41 | C4 | H42A | 109.4° | 109.4° |
| C6 | N5 | HN5 | 119.1° | 123.0° |
| N5 | C6 | C7 | 107.5° | 108.1° |
| N5 | C6 | C9 | 110.9° | 109.7° |
| N5 | C6 | H6 | 109.3° | 109.8° |
| C7 | C6 | C9 | 111.7° | 109.7° |
| C7 | C6 | H6 | 108.7° | 109.8° |
| C6 | C7 | O8 | 120.9° | 120.8° |
| C6 | C7 | N13 | 115.7° | 118.4° |
| C9 | C6 | H6 | 108.6° | 109.7° |
| C6 | C9 | C10 | 111.8° | 109.5° |
| C6 | C9 | H91 | 108.9° | 109.4° |
| C6 | C9 | H92 | 108.9° | 109.5° |
| O8 | C7 | N13 | 123.3° | 120.8° |
| C7 | N13 | C14 | 122.7° | 116.2° |
| C7 | N13 | H13 | 118.7° | 121.9° |
| C10 | C9 | H91 | 108.9° | 109.5° |
| C10 | C9 | H92 | 108.9° | 109.4° |
| C9 | C10 | O11 | 120.8° | 120.0° |
| C9 | C10 | N12 | 116.5° | 120.1° |
| H91 | C9 | H92 | 109.5° | 109.4° |
| O11 | C10 | N12 | 122.6° | 120.0° |
| C10 | N12 | H121 | 120.0° | 120.0° |
| C10 | N12 | H122 | 120.0° | 120.1° |
| H121 | N12 | H122 | 119.9° | 120.0° |
| C14 | N13 | H13 | 118.6° | 121.9° |
| N13 | C14 | C15 | 107.7° | 108.3° |
| N13 | C14 | C24 | 109.2° | 109.7° |
| N13 | C14 | H14 | 110.9° | 109.7° |
| C15 | C14 | C24 | 108.8° | 109.7° |
| C15 | C14 | H14 | 110.0° | 109.7° |
| C14 | C15 | C16 | 109.5° | 109.1° |
| C14 | C15 | H151 | 109.5° | 109.5° |
| C14 | C15 | H152 | 109.5° | 109.5° |
| C24 | C14 | H14 | 110.1° | 109.7° |
| C14 | C24 | O25 | 110.2° | 109.5° |
| C14 | C24 | C26 | 108.9° | 109.5° |
| C14 | C24 | H24 | 109.1° | 109.5° |
| C16 | C15 | H151 | 109.4° | 109.5° |
| C16 | C15 | H152 | 109.5° | 109.6° |
| C15 | C16 | C17 | 120.8° | 120.1° |
| C15 | C16 | C19 | 120.4° | 119.9° |
| H151 | C15 | H152 | 109.5° | 109.6° |
| C17 | C16 | C19 | 118.0° | 120.1° |
| C16 | C17 | C18 | 121.1° | 120.0° |
| C16 | C17 | H17 | 119.4° | 119.9° |
| C16 | C19 | C20 | 121.2° | 120.1° |
| C16 | C19 | H19 | 119.4° | 120.0° |
| C18 | C17 | H17 | 119.4° | 120.0° |
| C17 | C18 | C21 | 119.9° | 120.0° |
| C17 | C18 | H18 | 120.0° | 120.0° |
| C21 | C18 | H18 | 120.1° | 120.1° |
| C18 | C21 | C20 | 119.3° | 119.9° |
| C18 | C21 | O22 | 124.0° | 120.2° |
| C20 | C19 | H19 | 119.4° | 119.9° |
| C19 | C20 | C21 | 120.4° | 119.8° |
| C19 | C20 | H20 | 119.8° | 120.1° |
| C21 | C20 | H20 | 119.8° | 120.0° |
| C20 | C21 | O22 | 116.5° | 119.9° |
| C21 | O22 | C23 | 125.2° | 116.1° |
| O22 | C23 | H231 | 108.6° | 109.6° |
| O22 | C23 | H232 | 108.6° | 109.5° |
| H231 | C23 | H232 | 109.5° | 109.6° |
| O25 | C24 | C26 | 108.7° | 109.5° |
| O25 | C24 | H24 | 110.5° | 109.5° |
| C24 | O25 | H25 | 109.5° | 114.0° |
| C26 | C24 | H24 | 109.4° | 109.4° |
| C24 | C26 | N27 | 112.7° | 109.5° |
| C24 | C26 | H261 | 108.7° | 109.4° |
| C24 | C26 | H262 | 108.6° | 109.5° |
| N27 | C26 | H261 | 108.7° | 109.5° |
| N27 | C26 | H262 | 108.7° | 109.5° |
| C26 | N27 | C28 | 120.2° | 111.0° |
| C26 | N27 | C33 | 125.5° | 111.0° |
| H261 | C26 | H262 | 109.4° | 109.4° |
| C28 | N27 | C33 | 110.9° | 108.6° |
| N27 | C28 | C29 | 116.7° | 109.9° |
| N27 | C28 | C31 | 102.3° | 107.2° |
| N27 | C28 | H28 | 109.7° | 109.9° |
| N27 | C33 | C32 | 102.5° | 104.8° |
| N27 | C33 | H331 | 111.2° | 110.3° |
| N27 | C33 | H332 | 111.2° | 110.4° |
| C29 | C28 | C31 | 110.1° | 109.9° |
| C29 | C28 | H28 | 108.8° | 109.9° |
| C28 | C29 | O30 | 122.2° | 120.0° |
| C28 | C29 | N34 | 114.3° | 120.0° |
| C31 | C28 | H28 | 108.9° | 110.0° |
| C28 | C31 | C32 | 101.7° | 103.0° |
| C28 | C31 | H311 | 111.4° | 110.7° |
| C28 | C31 | H312 | 111.4° | 110.7° |
| O30 | C29 | N34 | 123.5° | 120.0° |
| C29 | N34 | C35 | 123.1° | 120.0° |
| C29 | N34 | H34 | 118.4° | 120.0° |
| C32 | C31 | H311 | 111.4° | 110.7° |
| C32 | C31 | H312 | 111.4° | 110.6° |
| C31 | C32 | C33 | 103.0° | 101.7° |
| C31 | C32 | H321 | 111.1° | 110.9° |
| C31 | C32 | H322 | 111.1° | 111.0° |
| H311 | C31 | H312 | 109.5° | 110.8° |
| C33 | C32 | H321 | 111.0° | 111.0° |
| C33 | C32 | H322 | 111.1° | 111.0° |
| C32 | C33 | H331 | 111.2° | 110.3° |
| C32 | C33 | H332 | 111.2° | 110.4° |
| H321 | C32 | H322 | 109.5° | 110.9° |
| H331 | C33 | H332 | 109.5° | 110.5° |
| C35 | N34 | H34 | 118.4° | 120.0° |
| N34 | C35 | C36 | 101.0° | 109.4° |
| N34 | C35 | C38 | 113.5° | 109.5° |
| N34 | C35 | H35 | 111.6° | 109.5° |
| C36 | C35 | C38 | 109.2° | 109.5° |
| C36 | C35 | H35 | 110.8° | 109.5° |
| C35 | C36 | O37 | 120.3° | 120.1° |
| C35 | C36 | N42 | 116.0° | 120.0° |
| C38 | C35 | H35 | 110.3° | 109.5° |
| C35 | C38 | C39 | 110.8° | 109.5° |
| C35 | C38 | C40 | 109.9° | 109.5° |
| C35 | C38 | H38 | 108.8° | 109.5° |
| O37 | C36 | N42 | 123.2° | 120.0° |
| C36 | N42 | C43 | 121.5° | 120.0° |
| C36 | N42 | H42 | 119.2° | 120.0° |
| C39 | C38 | C40 | 109.4° | 109.5° |
| C39 | C38 | H38 | 109.0° | 109.4° |
| C38 | C39 | C41 | 113.7° | 109.5° |
| C38 | C39 | H391 | 108.4° | 109.5° |
| C38 | C39 | H392 | 108.4° | 109.5° |
| C40 | C38 | H38 | 109.0° | 109.5° |
| C38 | C40 | H401 | 109.5° | 109.5° |
| C38 | C40 | H402 | 109.5° | 109.4° |
| C38 | C40 | H403 | 109.5° | 109.4° |
| C41 | C39 | H391 | 108.4° | 109.5° |
| C41 | C39 | H392 | 108.4° | 109.4° |
| C39 | C41 | H411 | 109.5° | 109.4° |
| C39 | C41 | H412 | 109.5° | 109.5° |
| C39 | C41 | H413 | 109.5° | 109.5° |
| H391 | C39 | H392 | 109.4° | 109.5° |
| H401 | C40 | H402 | 109.5° | 109.5° |
| H401 | C40 | H403 | 109.5° | 109.5° |
| H402 | C40 | H403 | 109.4° | 109.5° |
| H411 | C41 | H412 | 109.5° | 109.4° |
| H411 | C41 | H413 | 109.4° | 109.5° |
| H412 | C41 | H413 | 109.5° | 109.5° |
| C43 | N42 | H42 | 119.3° | 120.0° |
| N42 | C43 | C44 | 110.5° | 109.5° |
| N42 | C43 | C46 | 111.8° | 109.4° |
| N42 | C43 | H43 | 108.6° | 109.5° |
| C44 | C43 | C46 | 110.5° | 109.5° |
| C44 | C43 | H43 | 107.8° | 109.5° |
| C43 | C44 | O45 | 120.9° | 120.0° |
| C43 | C44 | N49 | 116.7° | 120.0° |
| C46 | C43 | H43 | 107.5° | 109.4° |
| C43 | C46 | C47 | 110.2° | 109.5° |
| C43 | C46 | C48 | 111.3° | 109.5° |
| C43 | C46 | H46 | 108.0° | 109.5° |
| O45 | C44 | N49 | 122.4° | 120.0° |
| C44 | N49 | H491 | 120.0° | 120.0° |
| C44 | N49 | H492 | 120.0° | 120.0° |
| C47 | C46 | C48 | 110.6° | 109.5° |
| C47 | C46 | H46 | 108.4° | 109.5° |
| C46 | C47 | H471 | 109.5° | 109.5° |
| C46 | C47 | H472 | 109.5° | 109.5° |
| C46 | C47 | H473 | 109.5° | 109.5° |
| C48 | C46 | H46 | 108.3° | 109.5° |
| C46 | C48 | H481 | 109.5° | 109.4° |
| C46 | C48 | H482 | 109.5° | 109.5° |
| C46 | C48 | H483 | 109.5° | 109.5° |
| H471 | C47 | H472 | 109.4° | 109.4° |
| H471 | C47 | H473 | 109.5° | 109.5° |
| H472 | C47 | H473 | 109.5° | 109.5° |
| H481 | C48 | H482 | 109.5° | 109.5° |
| H481 | C48 | H483 | 109.5° | 109.4° |
| H482 | C48 | H483 | 109.5° | 109.4° |
| H491 | N49 | H492 | 120.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C1 | C23 | H11 | 120.7° | 120.0° |
| C4 | C1 | C23 | H12 | 120.7° | 120.0° |
| C4 | C1 | H11 | H12 | 117.8° | 120.1° |
| C1 | C4 | C2 | O3 | 51.8° | 88.8° |
| C1 | C4 | C2 | H41 | 120.3° | 120.1° |
| C1 | C4 | C2 | H42A | 120.2° | 120.1° |
| C1 | C4 | C2 | N5 | 127.6° | 91.1° |
| C1 | C4 | H41 | H42A | 119.2° | 119.9° |
| C4 | C1 | C23 | O22 | 48.3° | 135.4° |
| C4 | C1 | C23 | H231 | 72.2° | 15.5° |
| C4 | C1 | C23 | H232 | 168.8° | 104.7° |
| C23 | C1 | H11 | H12 | 117.8° | 120.0° |
| C23 | C1 | C4 | C2 | 127.3° | 141.0° |
| C23 | C1 | C4 | H41 | 112.4° | 98.9° |
| C23 | C1 | C4 | H42A | 7.0° | 21.0° |
| C1 | C23 | O22 | C21 | 55.8° | 54.2° |
| C1 | C23 | O22 | H231 | 120.5° | 119.9° |
| C1 | C23 | O22 | H232 | 120.5° | 119.8° |
| C1 | C23 | H231 | H232 | 118.4° | 120.2° |
| H11 | C1 | C4 | C2 | 112.0° | 99.0° |
| H11 | C1 | C4 | H41 | 8.3° | 21.1° |
| H11 | C1 | C4 | H42A | 127.7° | 140.9° |
| H11 | C1 | C23 | O22 | 169.0° | 104.6° |
| H11 | C1 | C23 | H231 | 48.5° | 135.5° |
| H11 | C1 | C23 | H232 | 70.5° | 15.3° |
| H12 | C1 | C4 | C2 | 6.6° | 21.1° |
| H12 | C1 | C4 | H41 | 126.9° | 141.2° |
| H12 | C1 | C4 | H42A | 113.7° | 99.0° |
| H12 | C1 | C23 | O22 | 72.4° | 15.5° |
| H12 | C1 | C23 | H231 | 167.1° | 104.4° |
| H12 | C1 | C23 | H232 | 48.1° | 135.3° |
| O3 | C2 | C4 | N5 | 179.4° | 179.9° |
| O3 | C2 | C4 | H41 | 68.5° | 31.3° |
| O3 | C2 | C4 | H42A | 172.1° | 151.1° |
| O3 | C2 | N5 | C6 | 1.4° | 0.7° |
| O3 | C2 | N5 | HN5 | 178.6° | 179.3° |
| C2 | C4 | H41 | H42A | 119.3° | 119.9° |
| C4 | C2 | N5 | C6 | 178.0° | 179.4° |
| C4 | C2 | N5 | HN5 | 2.0° | 0.7° |
| N5 | C2 | C4 | H41 | 112.2° | 148.8° |
| N5 | C2 | C4 | H42A | 7.3° | 28.9° |
| C2 | N5 | C6 | HN5 | 180.0° | 179.9° |
| C2 | N5 | C6 | C7 | 136.0° | 152.5° |
| C2 | N5 | C6 | C9 | 101.5° | 87.9° |
| C2 | N5 | C6 | H6 | 18.2° | 32.8° |
| N5 | C6 | C7 | C9 | 121.9° | 119.6° |
| N5 | C6 | C7 | H6 | 118.2° | 119.7° |
| N5 | C6 | C9 | H6 | 120.2° | 120.7° |
| N5 | C6 | C7 | O8 | 74.3° | 134.0° |
| N5 | C6 | C7 | N13 | 102.5° | 45.9° |
| N5 | C6 | C9 | C10 | 57.7° | 172.4° |
| N5 | C6 | C9 | H91 | 62.6° | 52.4° |
| N5 | C6 | C9 | H92 | 178.1° | 67.5° |
| HN5 | N5 | C6 | C7 | 44.0° | 27.4° |
| HN5 | N5 | C6 | C9 | 78.5° | 92.2° |
| HN5 | N5 | C6 | H6 | 161.8° | 147.1° |
| C7 | C6 | C9 | H6 | 119.9° | 120.7° |
| C6 | C7 | O8 | N13 | 176.5° | 179.9° |
| C7 | C6 | C9 | C10 | 177.7° | 68.9° |
| C7 | C6 | C9 | H91 | 57.4° | 171.0° |
| C7 | C6 | C9 | H92 | 61.9° | 51.1° |
| C6 | C7 | N13 | C14 | 179.1° | 177.2° |
| C6 | C7 | N13 | H13 | 0.9° | 2.9° |
| C9 | C6 | C7 | O8 | 47.7° | 14.4° |
| C9 | C6 | C7 | N13 | 135.6° | 165.5° |
| C6 | C9 | C10 | H91 | 120.3° | 120.0° |
| C6 | C9 | C10 | H92 | 120.4° | 120.1° |
| C6 | C9 | H91 | H92 | 119.0° | 120.0° |
| C6 | C9 | C10 | O11 | 78.1° | 6.8° |
| C6 | C9 | C10 | N12 | 98.0° | 173.3° |
| H6 | C6 | C7 | O8 | 167.5° | 106.3° |
| H6 | C6 | C7 | N13 | 15.7° | 73.8° |
| H6 | C6 | C9 | C10 | 62.4° | 51.7° |
| H6 | C6 | C9 | H91 | 177.2° | 68.3° |
| H6 | C6 | C9 | H92 | 57.9° | 171.8° |
| O8 | C7 | N13 | C14 | 2.5° | 2.7° |
| O8 | C7 | N13 | H13 | 177.6° | 177.2° |
| C7 | N13 | C14 | H13 | 180.0° | 179.9° |
| C7 | N13 | C14 | C15 | 130.9° | 152.4° |
| C7 | N13 | C14 | C24 | 111.0° | 87.8° |
| C7 | N13 | C14 | H14 | 10.5° | 32.8° |
| C10 | C9 | H91 | H92 | 118.9° | 119.9° |
| C9 | C10 | O11 | N12 | 175.9° | 180.0° |
| C9 | C10 | N12 | H121 | 176.0° | 0.0° |
| C9 | C10 | N12 | H122 | 3.9° | 180.0° |
| H91 | C9 | C10 | O11 | 161.5° | 113.2° |
| H91 | C9 | C10 | N12 | 22.3° | 66.7° |
| H92 | C9 | C10 | O11 | 42.3° | 126.8° |
| H92 | C9 | C10 | N12 | 141.6° | 53.2° |
| O11 | C10 | N12 | H121 | 0.0° | 179.9° |
| O11 | C10 | N12 | H122 | 180.0° | 0.0° |
| C10 | N12 | H121 | H122 | 179.9° | 180.0° |
| N13 | C14 | C15 | C24 | 118.4° | 119.7° |
| N13 | C14 | C15 | H14 | 121.0° | 119.7° |
| N13 | C14 | C24 | H14 | 122.0° | 120.6° |
| N13 | C14 | C15 | C16 | 44.5° | 3.5° |
| N13 | C14 | C15 | H151 | 75.4° | 116.4° |
| N13 | C14 | C15 | H152 | 164.6° | 123.4° |
| N13 | C14 | C24 | O25 | 62.6° | 60.0° |
| N13 | C14 | C24 | C26 | 56.6° | 60.0° |
| N13 | C14 | C24 | H24 | 175.9° | 180.0° |
| H13 | N13 | C14 | C15 | 49.1° | 27.6° |
| H13 | N13 | C14 | C24 | 69.0° | 92.1° |
| H13 | N13 | C14 | H14 | 169.5° | 147.3° |
| C15 | C14 | C24 | H14 | 120.6° | 120.6° |
| C14 | C15 | C16 | H151 | 120.0° | 119.8° |
| C14 | C15 | C16 | H152 | 120.0° | 119.9° |
| C14 | C15 | H151 | H152 | 120.0° | 120.2° |
| C14 | C15 | C16 | C17 | 103.4° | 77.3° |
| C14 | C15 | C16 | C19 | 65.7° | 102.7° |
| C15 | C14 | C24 | O25 | 54.8° | 58.8° |
| C15 | C14 | C24 | C26 | 174.0° | 178.8° |
| C15 | C14 | C24 | H24 | 66.7° | 61.2° |
| C24 | C14 | C15 | C16 | 162.9° | 123.2° |
| C24 | C14 | C15 | H151 | 42.9° | 3.4° |
| C24 | C14 | C15 | H152 | 77.1° | 116.9° |
| C14 | C24 | O25 | C26 | 119.3° | 120.0° |
| C14 | C24 | O25 | H24 | 120.7° | 120.0° |
| C14 | C24 | C26 | H24 | 119.2° | 120.0° |
| C14 | C24 | O25 | H25 | 180.0° | 60.0° |
| C14 | C24 | C26 | N27 | 96.9° | 180.0° |
| C14 | C24 | C26 | H261 | 142.6° | 60.0° |
| C14 | C24 | C26 | H262 | 23.6° | 60.0° |
| H14 | C14 | C15 | C16 | 76.4° | 116.2° |
| H14 | C14 | C15 | H151 | 163.6° | 123.9° |
| H14 | C14 | C15 | H152 | 43.6° | 3.7° |
| H14 | C14 | C24 | O25 | 175.5° | 179.4° |
| H14 | C14 | C24 | C26 | 65.4° | 60.6° |
| H14 | C14 | C24 | H24 | 54.0° | 59.4° |
| C16 | C15 | H151 | H152 | 120.0° | 120.2° |
| C15 | C16 | C17 | C19 | 169.4° | 180.0° |
| C15 | C16 | C17 | C18 | 168.0° | 179.8° |
| C15 | C16 | C17 | H17 | 12.0° | 0.1° |
| C15 | C16 | C19 | C20 | 167.9° | 179.9° |
| C15 | C16 | C19 | H19 | 12.1° | 0.2° |
| H151 | C15 | C16 | C17 | 16.6° | 42.5° |
| H151 | C15 | C16 | C19 | 174.3° | 137.5° |
| H152 | C15 | C16 | C17 | 136.6° | 162.8° |
| H152 | C15 | C16 | C19 | 54.3° | 17.2° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | C21 | 0.2° | 0.1° |
| C16 | C17 | C18 | H18 | 179.8° | 179.9° |
| C17 | C16 | C19 | C20 | 1.6° | 0.1° |
| C17 | C16 | C19 | H19 | 178.4° | 179.8° |
| C19 | C16 | C17 | C18 | 1.4° | 0.2° |
| C19 | C16 | C17 | H17 | 178.6° | 179.9° |
| C16 | C19 | C20 | H19 | 180.0° | 179.9° |
| C16 | C19 | C20 | C21 | 0.2° | 0.2° |
| C16 | C19 | C20 | H20 | 179.8° | 179.9° |
| C17 | C18 | C21 | H18 | 180.0° | 180.0° |
| C17 | C18 | C21 | C20 | 1.6° | 0.5° |
| C17 | C18 | C21 | O22 | 173.4° | 179.3° |
| H17 | C17 | C18 | C21 | 179.8° | 179.8° |
| H17 | C17 | C18 | H18 | 0.2° | 0.1° |
| C18 | C21 | C20 | C19 | 1.4° | 0.5° |
| C18 | C21 | C20 | O22 | 175.4° | 179.8° |
| C18 | C21 | C20 | H20 | 178.6° | 179.6° |
| C18 | C21 | O22 | C23 | 5.6° | 101.4° |
| H18 | C18 | C21 | C20 | 178.4° | 179.6° |
| H18 | C18 | C21 | O22 | 6.6° | 0.6° |
| C19 | C20 | C21 | H20 | 180.0° | 179.9° |
| C19 | C20 | C21 | O22 | 173.9° | 179.3° |
| H19 | C19 | C20 | C21 | 179.8° | 179.8° |
| H19 | C19 | C20 | H20 | 0.2° | 0.1° |
| C20 | C21 | O22 | C23 | 169.5° | 78.4° |
| H20 | C20 | C21 | O22 | 6.0° | 0.6° |
| C21 | O22 | C23 | H231 | 176.3° | 65.7° |
| C21 | O22 | C23 | H232 | 64.7° | 174.0° |
| O22 | C23 | H231 | H232 | 118.4° | 120.3° |
| O25 | C24 | C26 | H24 | 120.7° | 120.0° |
| O25 | C24 | C26 | N27 | 143.0° | 60.0° |
| O25 | C24 | C26 | H261 | 22.5° | 60.0° |
| O25 | C24 | C26 | H262 | 96.5° | 180.0° |
| C26 | C24 | O25 | H25 | 60.7° | 60.0° |
| C24 | C26 | N27 | H261 | 120.5° | 120.0° |
| C24 | C26 | N27 | H262 | 120.5° | 120.1° |
| C24 | C26 | H261 | H262 | 118.5° | 120.0° |
| C24 | C26 | N27 | C28 | 47.2° | 170.0° |
| C24 | C26 | N27 | C33 | 155.2° | 69.2° |
| H24 | C24 | O25 | H25 | 59.3° | 180.0° |
| H24 | C24 | C26 | N27 | 22.3° | 60.0° |
| H24 | C24 | C26 | H261 | 98.2° | 180.0° |
| H24 | C24 | C26 | H262 | 142.8° | 60.0° |
| N27 | C26 | H261 | H262 | 118.5° | 120.0° |
| C26 | N27 | C28 | C33 | 160.5° | 122.3° |
| C26 | N27 | C28 | C29 | 97.9° | 117.3° |
| C26 | N27 | C28 | C31 | 141.9° | 123.2° |
| C26 | N27 | C28 | H28 | 26.4° | 3.7° |
| C26 | N27 | C33 | C32 | 167.5° | 146.3° |
| C26 | N27 | C33 | H331 | 48.6° | 27.6° |
| C26 | N27 | C33 | H332 | 73.6° | 94.8° |
| H261 | C26 | N27 | C28 | 73.3° | 50.0° |
| H261 | C26 | N27 | C33 | 84.2° | 170.9° |
| H262 | C26 | N27 | C28 | 167.7° | 70.0° |
| H262 | C26 | N27 | C33 | 34.8° | 50.9° |
| N27 | C28 | C29 | C31 | 116.0° | 117.8° |
| N27 | C28 | C29 | H28 | 124.7° | 121.0° |
| N27 | C28 | C31 | H28 | 116.1° | 119.5° |
| N27 | C28 | C29 | O30 | 14.7° | 0.0° |
| N27 | C28 | C29 | N34 | 163.1° | 180.0° |
| N27 | C28 | C31 | C32 | 38.4° | 22.3° |
| N27 | C28 | C31 | H311 | 157.1° | 140.7° |
| N27 | C28 | C31 | H312 | 80.4° | 96.0° |
| C28 | N27 | C33 | C32 | 8.2° | 24.1° |
| C28 | N27 | C33 | H331 | 110.7° | 94.7° |
| C28 | N27 | C33 | H332 | 127.1° | 142.9° |
| C33 | N27 | C28 | C29 | 101.6° | 120.4° |
| C33 | N27 | C28 | C31 | 18.6° | 1.0° |
| C33 | N27 | C28 | H28 | 134.1° | 118.6° |
| N27 | C33 | C32 | C31 | 32.5° | 37.0° |
| N27 | C33 | C32 | H331 | 118.9° | 118.8° |
| N27 | C33 | C32 | H332 | 118.9° | 118.8° |
| N27 | C33 | C32 | H321 | 86.5° | 81.0° |
| N27 | C33 | C32 | H322 | 151.4° | 155.2° |
| N27 | C33 | H331 | H332 | 123.2° | 122.3° |
| C29 | C28 | C31 | H28 | 119.3° | 121.1° |
| C28 | C29 | O30 | N34 | 177.6° | 180.0° |
| C29 | C28 | C31 | C32 | 86.3° | 97.2° |
| C29 | C28 | C31 | H311 | 32.4° | 21.3° |
| C29 | C28 | C31 | H312 | 154.9° | 144.5° |
| C28 | C29 | N34 | C35 | 176.1° | 175.5° |
| C28 | C29 | N34 | H34 | 3.9° | 4.5° |
| C31 | C28 | C29 | O30 | 101.3° | 117.8° |
| C31 | C28 | C29 | N34 | 81.0° | 62.2° |
| C28 | C31 | C32 | H311 | 118.7° | 118.4° |
| C28 | C31 | C32 | H312 | 118.8° | 118.4° |
| C28 | C31 | H311 | H312 | 123.6° | 123.2° |
| C28 | C31 | C32 | C33 | 44.2° | 35.6° |
| C28 | C31 | C32 | H321 | 74.8° | 82.4° |
| C28 | C31 | C32 | H322 | 163.1° | 153.7° |
| H28 | C28 | C29 | O30 | 139.5° | 121.0° |
| H28 | C28 | C29 | N34 | 38.3° | 59.0° |
| H28 | C28 | C31 | C32 | 154.4° | 141.7° |
| H28 | C28 | C31 | H311 | 86.8° | 99.9° |
| H28 | C28 | C31 | H312 | 35.7° | 23.4° |
| O30 | C29 | N34 | C35 | 6.2° | 4.5° |
| O30 | C29 | N34 | H34 | 173.8° | 175.5° |
| C29 | N34 | C35 | H34 | 180.0° | 180.0° |
| C29 | N34 | C35 | C36 | 135.2° | 142.4° |
| C29 | N34 | C35 | C38 | 108.1° | 97.6° |
| C29 | N34 | C35 | H35 | 17.4° | 22.3° |
| C32 | C31 | H311 | H312 | 123.6° | 123.1° |
| C31 | C32 | C33 | H321 | 119.0° | 118.0° |
| C31 | C32 | C33 | H322 | 119.0° | 118.1° |
| C31 | C32 | H321 | H322 | 123.0° | 123.9° |
| C31 | C32 | C33 | H331 | 86.4° | 81.8° |
| C31 | C32 | C33 | H332 | 151.3° | 155.9° |
| H311 | C31 | C32 | C33 | 162.9° | 154.0° |
| H311 | C31 | C32 | H321 | 43.9° | 36.0° |
| H311 | C31 | C32 | H322 | 78.1° | 87.9° |
| H312 | C31 | C32 | C33 | 74.6° | 82.7° |
| H312 | C31 | C32 | H321 | 166.5° | 159.2° |
| H312 | C31 | C32 | H322 | 44.4° | 35.4° |
| C33 | C32 | H321 | H322 | 123.0° | 123.9° |
| C32 | C33 | H331 | H332 | 123.2° | 122.4° |
| H321 | C32 | C33 | H331 | 154.6° | 160.2° |
| H321 | C32 | C33 | H332 | 32.4° | 37.8° |
| H322 | C32 | C33 | H331 | 32.5° | 36.4° |
| H322 | C32 | C33 | H332 | 89.7° | 86.0° |
| N34 | C35 | C36 | C38 | 119.9° | 120.0° |
| N34 | C35 | C36 | H35 | 118.4° | 120.0° |
| N34 | C35 | C38 | H35 | 126.2° | 120.0° |
| N34 | C35 | C36 | O37 | 66.1° | 5.5° |
| N34 | C35 | C36 | N42 | 107.2° | 174.4° |
| N34 | C35 | C38 | C39 | 67.2° | 53.7° |
| N34 | C35 | C38 | C40 | 171.8° | 66.4° |
| N34 | C35 | C38 | H38 | 52.5° | 173.6° |
| H34 | N34 | C35 | C36 | 44.8° | 37.6° |
| H34 | N34 | C35 | C38 | 71.9° | 82.4° |
| H34 | N34 | C35 | H35 | 162.6° | 157.6° |
| C36 | C35 | C38 | H35 | 122.0° | 120.1° |
| C35 | C36 | O37 | N42 | 172.8° | 180.0° |
| C36 | C35 | C38 | C39 | 179.0° | 66.3° |
| C36 | C35 | C38 | C40 | 60.0° | 173.7° |
| C36 | C35 | C38 | H38 | 59.3° | 53.7° |
| C35 | C36 | N42 | C43 | 179.9° | 174.3° |
| C35 | C36 | N42 | H42 | 0.2° | 5.7° |
| C38 | C35 | C36 | O37 | 53.8° | 114.5° |
| C38 | C35 | C36 | N42 | 132.9° | 65.6° |
| C35 | C38 | C39 | C40 | 121.3° | 120.0° |
| C35 | C38 | C39 | H38 | 119.6° | 120.0° |
| C35 | C38 | C40 | H38 | 119.1° | 120.1° |
| C35 | C38 | C39 | C41 | 63.5° | 67.5° |
| C35 | C38 | C39 | H391 | 57.1° | 172.4° |
| C35 | C38 | C39 | H392 | 175.9° | 52.4° |
| C35 | C38 | C40 | H401 | 180.0° | 66.9° |
| C35 | C38 | C40 | H402 | 60.0° | 173.1° |
| C35 | C38 | C40 | H403 | 60.0° | 53.1° |
| H35 | C35 | C36 | O37 | 175.5° | 125.5° |
| H35 | C35 | C36 | N42 | 11.2° | 54.5° |
| H35 | C35 | C38 | C39 | 58.9° | 173.7° |
| H35 | C35 | C38 | C40 | 62.0° | 53.6° |
| H35 | C35 | C38 | H38 | 178.7° | 66.4° |
| O37 | C36 | N42 | C43 | 7.1° | 5.6° |
| O37 | C36 | N42 | H42 | 172.9° | 174.3° |
| C36 | N42 | C43 | H42 | 180.0° | 180.0° |
| C36 | N42 | C43 | C44 | 113.9° | 155.0° |
| C36 | N42 | C43 | C46 | 122.6° | 85.0° |
| C36 | N42 | C43 | H43 | 4.2° | 34.9° |
| C39 | C38 | C40 | H38 | 119.1° | 119.9° |
| C38 | C39 | C41 | H391 | 120.6° | 120.1° |
| C38 | C39 | C41 | H392 | 120.7° | 119.9° |
| C38 | C39 | H391 | H392 | 118.1° | 120.0° |
| C39 | C38 | C40 | H401 | 58.2° | 53.1° |
| C39 | C38 | C40 | H402 | 178.2° | 66.8° |
| C39 | C38 | C40 | H403 | 61.8° | 173.1° |
| C38 | C39 | C41 | H411 | 180.0° | 44.7° |
| C38 | C39 | C41 | H412 | 60.0° | 164.6° |
| C38 | C39 | C41 | H413 | 60.0° | 75.4° |
| C40 | C38 | C39 | C41 | 57.8° | 172.4° |
| C40 | C38 | C39 | H391 | 178.4° | 52.4° |
| C40 | C38 | C39 | H392 | 62.8° | 67.6° |
| C38 | C40 | H401 | H402 | 120.0° | 120.0° |
| C38 | C40 | H401 | H403 | 120.0° | 120.0° |
| C38 | C40 | H402 | H403 | 120.0° | 120.0° |
| H38 | C38 | C39 | C41 | 176.9° | 52.5° |
| H38 | C38 | C39 | H391 | 62.5° | 67.6° |
| H38 | C38 | C39 | H392 | 56.2° | 172.4° |
| H38 | C38 | C40 | H401 | 60.9° | 173.0° |
| H38 | C38 | C40 | H402 | 59.1° | 53.1° |
| H38 | C38 | C40 | H403 | 179.1° | 66.9° |
| C41 | C39 | H391 | H392 | 118.1° | 120.0° |
| C39 | C41 | H411 | H412 | 120.0° | 120.0° |
| C39 | C41 | H411 | H413 | 120.0° | 120.1° |
| C39 | C41 | H412 | H413 | 120.0° | 120.1° |
| H391 | C39 | C41 | H411 | 59.3° | 75.4° |
| H391 | C39 | C41 | H412 | 179.4° | 44.6° |
| H391 | C39 | C41 | H413 | 60.6° | 164.6° |
| H392 | C39 | C41 | H411 | 59.4° | 164.6° |
| H392 | C39 | C41 | H412 | 60.7° | 75.4° |
| H392 | C39 | C41 | H413 | 179.3° | 44.6° |
| H401 | C40 | H402 | H403 | 120.0° | 120.1° |
| H411 | C41 | H412 | H413 | 120.0° | 120.0° |
| N42 | C43 | C44 | C46 | 124.3° | 120.0° |
| N42 | C43 | C44 | H43 | 118.5° | 120.0° |
| N42 | C43 | C46 | H43 | 119.0° | 120.0° |
| N42 | C43 | C44 | O45 | 44.7° | 9.0° |
| N42 | C43 | C44 | N49 | 133.9° | 171.0° |
| N42 | C43 | C46 | C47 | 54.4° | 65.6° |
| N42 | C43 | C46 | C48 | 68.7° | 54.4° |
| N42 | C43 | C46 | H46 | 172.6° | 174.4° |
| H42 | N42 | C43 | C44 | 66.2° | 25.0° |
| H42 | N42 | C43 | C46 | 57.4° | 95.0° |
| H42 | N42 | C43 | H43 | 175.8° | 145.0° |
| C44 | C43 | C46 | H43 | 117.4° | 120.1° |
| C43 | C44 | O45 | N49 | 178.6° | 180.0° |
| C44 | C43 | C46 | C47 | 178.0° | 174.4° |
| C44 | C43 | C46 | C48 | 54.9° | 65.6° |
| C44 | C43 | C46 | H46 | 63.8° | 54.4° |
| C43 | C44 | N49 | H491 | 178.6° | 5.1° |
| C43 | C44 | N49 | H492 | 1.4° | 175.0° |
| C46 | C43 | C44 | O45 | 79.6° | 111.0° |
| C46 | C43 | C44 | N49 | 101.8° | 69.0° |
| C43 | C46 | C47 | C48 | 123.5° | 120.0° |
| C43 | C46 | C47 | H46 | 117.9° | 120.0° |
| C43 | C46 | C48 | H46 | 118.5° | 120.0° |
| C43 | C46 | C47 | H471 | 180.0° | 60.0° |
| C43 | C46 | C47 | H472 | 60.0° | 180.0° |
| C43 | C46 | C47 | H473 | 60.0° | 60.0° |
| C43 | C46 | C48 | H481 | 180.0° | 55.2° |
| C43 | C46 | C48 | H482 | 60.0° | 175.2° |
| C43 | C46 | C48 | H483 | 60.0° | 64.8° |
| H43 | C43 | C44 | O45 | 163.3° | 129.1° |
| H43 | C43 | C44 | N49 | 15.4° | 50.9° |
| H43 | C43 | C46 | C47 | 64.7° | 54.3° |
| H43 | C43 | C46 | C48 | 172.3° | 174.3° |
| H43 | C43 | C46 | H46 | 53.5° | 65.7° |
| O45 | C44 | N49 | H491 | 0.0° | 174.9° |
| O45 | C44 | N49 | H492 | 180.0° | 5.0° |
| C44 | N49 | H491 | H492 | 180.0° | 179.9° |
| C47 | C46 | C48 | H46 | 118.7° | 120.0° |
| C46 | C47 | H471 | H472 | 120.0° | 120.0° |
| C46 | C47 | H471 | H473 | 120.0° | 120.0° |
| C46 | C47 | H472 | H473 | 120.0° | 120.0° |
| C47 | C46 | C48 | H481 | 57.2° | 175.2° |
| C47 | C46 | C48 | H482 | 62.8° | 64.8° |
| C47 | C46 | C48 | H483 | 177.2° | 55.2° |
| C48 | C46 | C47 | H471 | 56.6° | 60.0° |
| C48 | C46 | C47 | H472 | 176.5° | 59.9° |
| C48 | C46 | C47 | H473 | 63.5° | 180.0° |
| C46 | C48 | H481 | H482 | 120.0° | 120.1° |
| C46 | C48 | H481 | H483 | 120.0° | 120.0° |
| C46 | C48 | H482 | H483 | 120.0° | 120.0° |
| H46 | C46 | C47 | H471 | 62.1° | 180.0° |
| H46 | C46 | C47 | H472 | 57.9° | 60.0° |
| H46 | C46 | C47 | H473 | 177.9° | 60.0° |
| H46 | C46 | C48 | H481 | 61.5° | 64.9° |
| H46 | C46 | C48 | H482 | 178.5° | 55.2° |
| H46 | C46 | C48 | H483 | 58.5° | 175.2° |
| H471 | C47 | H472 | H473 | 120.0° | 120.0° |
| H481 | C48 | H482 | H483 | 120.0° | 120.0° |
