ZYE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.39Å | 1.43Å | Aromatic |
| C1 | C6 | doub | 1.41Å | 1.42Å | Aromatic |
| C1 | N23 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | doub | 1.39Å | 1.47Å | Aromatic |
| C3 | C4 | sing | 1.40Å | 1.43Å | Aromatic |
| C3 | C7 | sing | 1.48Å | 1.47Å | |
| C4 | C5 | doub | 1.38Å | 1.45Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.50Å | Aromatic |
| C5 | N27 | sing | 1.40Å | 1.44Å | |
| C6 | C31 | sing | 1.46Å | 1.41Å | Aromatic |
| C7 | N8 | sing | 1.35Å | 1.36Å | |
| C7 | O9 | doub | 1.22Å | 1.26Å | |
| N8 | C10 | sing | 1.46Å | 1.48Å | |
| C10 | C11 | sing | 1.53Å | 1.55Å | |
| C10 | C12 | sing | 1.53Å | 1.57Å | |
| C11 | C14 | sing | 1.51Å | 1.54Å | |
| C12 | O13 | sing | 1.43Å | 1.42Å | |
| C12 | C15 | sing | 1.53Å | 1.54Å | |
| C14 | C18 | sing | 1.38Å | 1.48Å | Aromatic |
| C14 | C22 | doub | 1.38Å | 1.52Å | Aromatic |
| C15 | N16 | sing | 1.47Å | 1.48Å | |
| N16 | C17 | sing | 1.47Å | 1.52Å | |
| C17 | C38 | sing | 1.51Å | 1.52Å | |
| C18 | C19 | doub | 1.38Å | 1.48Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.48Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.49Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.48Å | Aromatic |
| N23 | C30 | sing | 1.37Å | 1.38Å | Aromatic |
| N23 | C33 | sing | 1.46Å | 1.49Å | |
| C24 | C25 | sing | 1.55Å | 1.54Å | |
| C24 | C28 | sing | 1.54Å | 1.51Å | |
| C25 | C26 | sing | 1.51Å | 1.52Å | |
| C26 | N27 | sing | 1.34Å | 1.36Å | |
| C26 | O29 | doub | 1.21Å | 1.26Å | |
| N27 | C28 | sing | 1.47Å | 1.45Å | |
| C30 | C31 | doub | 1.34Å | 1.41Å | Aromatic |
| C32 | C33 | sing | 1.53Å | 1.54Å | |
| C34 | C35 | sing | 1.39Å | 1.46Å | Aromatic |
| C34 | C39 | doub | 1.39Å | 1.46Å | Aromatic |
| C34 | O40 | sing | 1.36Å | 1.42Å | |
| C35 | C36 | doub | 1.38Å | 1.43Å | Aromatic |
| C36 | C37 | sing | 1.38Å | 1.43Å | Aromatic |
| C37 | C38 | doub | 1.38Å | 1.45Å | Aromatic |
| C38 | C39 | sing | 1.38Å | 1.44Å | Aromatic |
| O40 | C41 | sing | 1.43Å | 1.43Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| N8 | H8 | sing | 0.97Å | 1.00Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| O13 | H13 | sing | 0.97Å | 0.95Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| N16 | H16 | sing | 1.01Å | 1.00Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C32 | H323 | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C39 | H39 | sing | 1.08Å | 1.08Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| C41 | H413 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 123.1° | 119.6° |
| C2 | C1 | N23 | 129.5° | 133.2° |
| C1 | C2 | C3 | 119.8° | 119.9° |
| C1 | C2 | H2 | 120.1° | 120.0° |
| C6 | C1 | N23 | 107.3° | 107.1° |
| C1 | C6 | C5 | 117.1° | 120.1° |
| C1 | C6 | C31 | 110.0° | 106.1° |
| C1 | N23 | C30 | 106.6° | 109.8° |
| C1 | N23 | C33 | 125.6° | 125.1° |
| C2 | C3 | C4 | 118.9° | 120.4° |
| C2 | C3 | C7 | 119.4° | 119.8° |
| C3 | C2 | H2 | 120.1° | 120.0° |
| C4 | C3 | C7 | 121.7° | 119.8° |
| C3 | C4 | C5 | 121.4° | 120.1° |
| C3 | C4 | H4 | 119.3° | 119.9° |
| C3 | C7 | N8 | 115.6° | 120.0° |
| C3 | C7 | O9 | 118.5° | 120.0° |
| C4 | C5 | C6 | 119.6° | 119.7° |
| C4 | C5 | N27 | 119.0° | 120.1° |
| C5 | C4 | H4 | 119.3° | 119.9° |
| C6 | C5 | N27 | 121.4° | 120.1° |
| C5 | C6 | C31 | 132.8° | 133.8° |
| C5 | N27 | C26 | 122.8° | 124.4° |
| C5 | N27 | C28 | 120.6° | 124.4° |
| C6 | C31 | C30 | 103.6° | 107.0° |
| C6 | C31 | H31 | 128.2° | 126.5° |
| N8 | C7 | O9 | 125.2° | 120.0° |
| C7 | N8 | C10 | 124.7° | 120.0° |
| C7 | N8 | H8 | 117.7° | 120.0° |
| N8 | C10 | C11 | 106.1° | 109.5° |
| N8 | C10 | C12 | 116.2° | 109.5° |
| C10 | N8 | H8 | 117.7° | 120.0° |
| N8 | C10 | H10 | 107.5° | 109.5° |
| C11 | C10 | C12 | 110.3° | 109.4° |
| C10 | C11 | C14 | 109.5° | 109.5° |
| C11 | C10 | H10 | 113.8° | 109.5° |
| C10 | C11 | H111 | 109.5° | 109.5° |
| C10 | C11 | H112 | 109.5° | 109.5° |
| C10 | C12 | O13 | 113.4° | 109.4° |
| C10 | C12 | C15 | 110.8° | 109.5° |
| C12 | C10 | H10 | 103.1° | 109.4° |
| C10 | C12 | H12 | 105.3° | 109.5° |
| C11 | C14 | C18 | 113.9° | 120.0° |
| C11 | C14 | C22 | 127.1° | 120.0° |
| C14 | C11 | H111 | 109.5° | 109.5° |
| C14 | C11 | H112 | 109.5° | 109.5° |
| O13 | C12 | C15 | 107.7° | 109.5° |
| O13 | C12 | H12 | 108.5° | 109.4° |
| C12 | O13 | H13 | 109.5° | 113.9° |
| C12 | C15 | N16 | 115.1° | 109.5° |
| C15 | C12 | H12 | 111.2° | 109.5° |
| C12 | C15 | H151 | 107.7° | 109.5° |
| C12 | C15 | H152 | 106.3° | 109.5° |
| C18 | C14 | C22 | 119.0° | 120.0° |
| C14 | C18 | C19 | 120.9° | 120.0° |
| C14 | C18 | H18 | 119.5° | 120.0° |
| C14 | C22 | C21 | 119.7° | 120.0° |
| C14 | C22 | H22 | 120.1° | 120.0° |
| C15 | N16 | C17 | 123.7° | 111.0° |
| N16 | C15 | H151 | 107.6° | 109.5° |
| N16 | C15 | H152 | 106.4° | 109.5° |
| C15 | N16 | H16 | 105.0° | 111.0° |
| N16 | C17 | C38 | 110.8° | 109.5° |
| C17 | N16 | H16 | 105.0° | 111.0° |
| N16 | C17 | H171 | 109.0° | 109.5° |
| N16 | C17 | H172 | 108.7° | 109.5° |
| C17 | C38 | C37 | 119.6° | 120.0° |
| C17 | C38 | C39 | 121.1° | 119.9° |
| C38 | C17 | H171 | 109.0° | 109.4° |
| C38 | C17 | H172 | 108.7° | 109.5° |
| C18 | C19 | C20 | 120.2° | 120.0° |
| C19 | C18 | H18 | 119.6° | 120.0° |
| C18 | C19 | H19 | 119.9° | 120.0° |
| C19 | C20 | C21 | 120.0° | 120.0° |
| C20 | C19 | H19 | 119.9° | 120.0° |
| C19 | C20 | H20 | 120.0° | 120.0° |
| C20 | C21 | C22 | 120.2° | 120.0° |
| C21 | C20 | H20 | 120.0° | 120.0° |
| C20 | C21 | H21 | 119.9° | 120.0° |
| C21 | C22 | H22 | 120.1° | 120.0° |
| C22 | C21 | H21 | 119.9° | 120.0° |
| C30 | N23 | C33 | 127.8° | 125.1° |
| N23 | C30 | C31 | 112.4° | 110.0° |
| N23 | C30 | H30 | 123.8° | 125.0° |
| N23 | C33 | C32 | 113.0° | 109.5° |
| N23 | C33 | H331 | 108.3° | 109.5° |
| N23 | C33 | H332 | 107.6° | 109.5° |
| C25 | C24 | C28 | 106.9° | 101.8° |
| C24 | C25 | C26 | 105.7° | 104.2° |
| C24 | C25 | H251 | 110.7° | 110.5° |
| C24 | C25 | H252 | 111.6° | 110.5° |
| C25 | C24 | H241 | 110.3° | 111.0° |
| C25 | C24 | H242 | 110.9° | 110.9° |
| C24 | C28 | N27 | 104.1° | 105.5° |
| C28 | C24 | H241 | 110.3° | 111.0° |
| C28 | C24 | H242 | 110.9° | 110.9° |
| C24 | C28 | H281 | 111.3° | 110.2° |
| C24 | C28 | H282 | 112.5° | 110.3° |
| C25 | C26 | N27 | 106.7° | 110.1° |
| C25 | C26 | O29 | 127.8° | 125.0° |
| C26 | C25 | H251 | 110.8° | 110.5° |
| C26 | C25 | H252 | 111.6° | 110.5° |
| N27 | C26 | O29 | 125.5° | 124.9° |
| C26 | N27 | C28 | 116.6° | 111.3° |
| N27 | C28 | H281 | 111.3° | 110.2° |
| N27 | C28 | H282 | 112.5° | 110.2° |
| C30 | C31 | H31 | 128.2° | 126.5° |
| C31 | C30 | H30 | 123.8° | 125.0° |
| C32 | C33 | H331 | 108.3° | 109.4° |
| C32 | C33 | H332 | 107.5° | 109.5° |
| C33 | C32 | H321 | 109.5° | 109.5° |
| C33 | C32 | H322 | 109.4° | 109.5° |
| C33 | C32 | H323 | 109.4° | 109.5° |
| C35 | C34 | C39 | 117.8° | 119.9° |
| C35 | C34 | O40 | 124.6° | 120.1° |
| C34 | C35 | C36 | 121.1° | 119.9° |
| C34 | C35 | H35 | 119.4° | 120.0° |
| C39 | C34 | O40 | 117.5° | 120.0° |
| C34 | C39 | C38 | 121.2° | 119.9° |
| C34 | C39 | H39 | 119.4° | 120.1° |
| C34 | O40 | C41 | 122.7° | 117.0° |
| C35 | C36 | C37 | 120.2° | 120.1° |
| C36 | C35 | H35 | 119.5° | 120.1° |
| C35 | C36 | H36 | 119.9° | 120.0° |
| C36 | C37 | C38 | 120.4° | 120.1° |
| C37 | C36 | H36 | 119.9° | 119.9° |
| C36 | C37 | H37 | 119.8° | 120.0° |
| C37 | C38 | C39 | 119.3° | 120.0° |
| C38 | C37 | H37 | 119.8° | 119.9° |
| C38 | C39 | H39 | 119.4° | 120.0° |
| O40 | C41 | H411 | 109.5° | 109.4° |
| O40 | C41 | H412 | 109.4° | 109.4° |
| O40 | C41 | H413 | 109.4° | 109.4° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H151 | C15 | H152 | 114.0° | 109.5° |
| H171 | C17 | H172 | 110.5° | 109.5° |
| H331 | C33 | H332 | 112.2° | 109.4° |
| H251 | C25 | H252 | 106.6° | 110.5° |
| H321 | C32 | H322 | 109.5° | 109.4° |
| H321 | C32 | H323 | 109.4° | 109.5° |
| H322 | C32 | H323 | 109.5° | 109.5° |
| H411 | C41 | H412 | 109.5° | 109.5° |
| H411 | C41 | H413 | 109.4° | 109.5° |
| H412 | C41 | H413 | 109.5° | 109.5° |
| H241 | C24 | H242 | 107.5° | 110.9° |
| H281 | C28 | H282 | 105.4° | 110.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | N23 | 179.7° | 179.7° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.3° | 0.0° |
| C1 | C2 | C3 | C7 | 179.3° | 180.0° |
| C2 | C1 | C6 | C5 | 0.2° | 0.0° |
| C2 | C1 | C6 | C31 | 179.9° | 180.0° |
| C2 | C1 | N23 | C30 | 180.0° | 179.9° |
| C2 | C1 | N23 | C33 | 0.1° | 0.1° |
| C6 | C1 | C2 | C3 | 0.3° | 0.0° |
| C1 | C6 | C5 | C4 | 0.2° | 0.0° |
| C1 | C6 | C5 | C31 | 179.7° | 180.0° |
| C1 | C6 | C5 | N27 | 179.9° | 180.0° |
| C6 | C1 | N23 | C30 | 0.3° | 0.3° |
| C6 | C1 | N23 | C33 | 179.8° | 179.7° |
| C1 | C6 | C31 | C30 | 0.2° | 0.1° |
| C6 | C1 | C2 | H2 | 179.7° | 180.0° |
| C1 | C6 | C31 | H31 | 179.8° | 180.0° |
| N23 | C1 | C2 | C3 | 179.9° | 179.6° |
| N23 | C1 | C6 | C5 | 179.9° | 179.7° |
| N23 | C1 | C6 | C31 | 0.3° | 0.3° |
| C1 | N23 | C30 | C33 | 179.9° | 180.0° |
| C1 | N23 | C30 | C31 | 0.2° | 0.2° |
| C1 | N23 | C33 | C32 | 81.8° | 85.0° |
| N23 | C1 | C2 | H2 | 0.1° | 0.4° |
| C1 | N23 | C30 | H30 | 179.8° | 179.9° |
| C1 | N23 | C33 | H331 | 38.1° | 155.0° |
| C1 | N23 | C33 | H332 | 159.7° | 35.0° |
| C2 | C3 | C4 | C7 | 179.6° | 180.0° |
| C2 | C3 | C4 | C5 | 0.3° | 0.0° |
| C2 | C3 | C7 | N8 | 38.6° | 0.0° |
| C2 | C3 | C7 | O9 | 132.2° | 180.0° |
| C2 | C3 | C4 | H4 | 179.7° | 179.9° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.2° | 0.0° |
| C3 | C4 | C5 | N27 | 179.8° | 179.9° |
| C4 | C3 | C7 | N8 | 141.8° | 180.0° |
| C4 | C3 | C7 | O9 | 47.4° | 0.1° |
| C4 | C3 | C2 | H2 | 179.7° | 180.0° |
| C7 | C3 | C4 | C5 | 179.3° | 180.0° |
| C3 | C7 | N8 | O9 | 170.1° | 179.9° |
| C3 | C7 | N8 | C10 | 167.4° | 180.0° |
| C7 | C3 | C2 | H2 | 0.6° | 0.0° |
| C7 | C3 | C4 | H4 | 0.7° | 0.1° |
| C3 | C7 | N8 | H8 | 12.6° | 0.1° |
| C4 | C5 | C6 | N27 | 180.0° | 180.0° |
| C4 | C5 | C6 | C31 | 179.9° | 180.0° |
| C4 | C5 | N27 | C26 | 112.5° | 90.0° |
| C4 | C5 | N27 | C28 | 67.8° | 90.0° |
| C6 | C5 | N27 | C26 | 67.5° | 90.0° |
| C6 | C5 | N27 | C28 | 112.3° | 90.0° |
| C5 | C6 | C31 | C30 | 179.9° | 179.9° |
| C6 | C5 | C4 | H4 | 179.8° | 179.9° |
| C5 | C6 | C31 | H31 | 0.1° | 0.0° |
| N27 | C5 | C6 | C31 | 0.2° | 0.0° |
| C5 | N27 | C28 | C24 | 179.9° | 163.0° |
| C5 | N27 | C26 | C25 | 179.8° | 179.6° |
| C5 | N27 | C26 | C28 | 179.8° | 180.0° |
| C5 | N27 | C26 | O29 | 0.0° | 0.4° |
| N27 | C5 | C4 | H4 | 0.2° | 0.1° |
| C5 | N27 | C28 | H281 | 60.2° | 78.0° |
| C5 | N27 | C28 | H282 | 57.9° | 44.0° |
| C6 | C31 | C30 | N23 | 0.0° | 0.0° |
| C6 | C31 | C30 | H31 | 180.0° | 179.8° |
| C6 | C31 | C30 | H30 | 180.0° | 179.9° |
| C7 | N8 | C10 | H8 | 180.0° | 180.0° |
| C7 | N8 | C10 | C11 | 136.4° | 85.0° |
| C7 | N8 | C10 | C12 | 100.6° | 155.0° |
| C7 | N8 | C10 | H10 | 14.3° | 35.0° |
| O9 | C7 | N8 | C10 | 2.7° | 0.1° |
| O9 | C7 | N8 | H8 | 177.3° | 180.0° |
| N8 | C10 | C11 | C12 | 126.7° | 120.0° |
| N8 | C10 | C11 | H10 | 118.0° | 120.0° |
| N8 | C10 | C12 | H10 | 117.4° | 120.0° |
| N8 | C10 | C11 | C14 | 50.5° | 65.0° |
| N8 | C10 | C12 | O13 | 179.4° | 65.0° |
| N8 | C10 | C12 | C15 | 59.3° | 175.0° |
| N8 | C10 | C11 | H111 | 69.5° | 55.0° |
| N8 | C10 | C11 | H112 | 170.5° | 175.0° |
| N8 | C10 | C12 | H12 | 61.0° | 55.0° |
| C11 | C10 | C12 | H10 | 121.8° | 120.0° |
| C10 | C11 | C14 | H111 | 120.0° | 120.0° |
| C10 | C11 | C14 | H112 | 120.0° | 120.0° |
| C11 | C10 | C12 | O13 | 58.6° | 55.1° |
| C11 | C10 | C12 | C15 | 179.9° | 65.0° |
| C10 | C11 | C14 | C18 | 134.4° | 89.9° |
| C10 | C11 | C14 | C22 | 44.3° | 90.3° |
| C11 | C10 | N8 | H8 | 43.7° | 95.0° |
| C10 | C11 | H111 | H112 | 120.0° | 120.0° |
| C11 | C10 | C12 | H12 | 59.8° | 175.0° |
| C12 | C10 | C11 | C14 | 177.2° | 175.0° |
| C10 | C12 | O13 | C15 | 123.0° | 120.0° |
| C10 | C12 | O13 | H12 | 116.5° | 120.0° |
| C10 | C12 | C15 | H12 | 116.7° | 120.0° |
| C10 | C12 | C15 | N16 | 179.6° | 175.0° |
| C12 | C10 | N8 | H8 | 79.3° | 25.0° |
| C12 | C10 | C11 | H111 | 57.1° | 65.0° |
| C12 | C10 | C11 | H112 | 62.9° | 55.0° |
| C10 | C12 | O13 | H13 | 148.4° | 60.1° |
| C10 | C12 | C15 | H151 | 60.4° | 55.0° |
| C10 | C12 | C15 | H152 | 62.2° | 65.0° |
| C11 | C14 | C18 | C22 | 178.9° | 179.8° |
| C11 | C14 | C18 | C19 | 178.9° | 180.0° |
| C11 | C14 | C22 | C21 | 178.6° | 179.8° |
| C14 | C11 | C10 | H10 | 67.5° | 55.0° |
| C14 | C11 | H111 | H112 | 120.0° | 120.0° |
| C11 | C14 | C18 | H18 | 1.1° | 0.0° |
| C11 | C14 | C22 | H22 | 1.4° | 0.0° |
| O13 | C12 | C15 | H12 | 118.8° | 120.0° |
| O13 | C12 | C15 | N16 | 55.1° | 65.0° |
| O13 | C12 | C10 | H10 | 63.2° | 175.0° |
| O13 | C12 | C15 | H151 | 175.1° | 175.0° |
| O13 | C12 | C15 | H152 | 62.4° | 55.0° |
| C12 | C15 | N16 | H151 | 120.0° | 120.0° |
| C12 | C15 | N16 | H152 | 117.5° | 120.0° |
| C12 | C15 | N16 | C17 | 153.3° | 180.0° |
| C15 | C12 | C10 | H10 | 58.1° | 55.0° |
| C15 | C12 | O13 | H13 | 25.4° | 60.0° |
| C12 | C15 | H151 | H152 | 117.7° | 120.0° |
| C12 | C15 | N16 | H16 | 33.3° | 56.1° |
| C14 | C18 | C19 | H18 | 180.0° | 180.0° |
| C14 | C18 | C19 | C20 | 0.2° | 0.0° |
| C18 | C14 | C22 | C21 | 0.1° | 0.5° |
| C18 | C14 | C11 | H111 | 14.4° | 30.0° |
| C18 | C14 | C11 | H112 | 105.6° | 150.0° |
| C18 | C14 | C22 | H22 | 179.9° | 179.8° |
| C14 | C18 | C19 | H19 | 179.8° | 180.0° |
| C22 | C14 | C18 | C19 | 0.0° | 0.2° |
| C14 | C22 | C21 | C20 | 0.1° | 0.4° |
| C14 | C22 | C21 | H22 | 180.0° | 179.8° |
| C22 | C14 | C11 | H111 | 164.3° | 149.7° |
| C22 | C14 | C11 | H112 | 75.6° | 29.7° |
| C22 | C14 | C18 | H18 | 180.0° | 179.7° |
| C14 | C22 | C21 | H21 | 179.9° | 179.7° |
| C15 | N16 | C17 | H16 | 120.0° | 123.9° |
| C15 | N16 | C17 | C38 | 50.8° | 180.0° |
| N16 | C15 | C12 | H12 | 63.6° | 55.0° |
| N16 | C15 | H151 | H152 | 117.7° | 120.0° |
| C15 | N16 | C17 | H171 | 170.8° | 60.1° |
| C15 | N16 | C17 | H172 | 68.7° | 60.0° |
| N16 | C17 | C38 | H171 | 120.0° | 120.0° |
| N16 | C17 | C38 | H172 | 119.4° | 120.0° |
| N16 | C17 | C38 | C37 | 112.7° | 90.0° |
| N16 | C17 | C38 | C39 | 67.4° | 90.0° |
| C17 | N16 | C15 | H151 | 86.7° | 60.0° |
| C17 | N16 | C15 | H152 | 35.8° | 60.0° |
| N16 | C17 | H171 | H172 | 119.4° | 120.0° |
| C17 | C38 | C39 | C34 | 179.9° | 180.0° |
| C17 | C38 | C37 | C36 | 179.9° | 180.0° |
| C17 | C38 | C37 | C39 | 180.0° | 180.0° |
| C38 | C17 | N16 | H16 | 69.2° | 56.1° |
| C38 | C17 | H171 | H172 | 119.5° | 120.0° |
| C17 | C38 | C39 | H39 | 0.1° | 0.0° |
| C17 | C38 | C37 | H37 | 0.1° | 0.1° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.3° | 0.1° |
| C18 | C19 | C20 | H20 | 179.7° | 180.0° |
| C19 | C20 | C21 | H20 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 0.1° | 0.1° |
| C20 | C19 | C18 | H18 | 179.8° | 180.0° |
| C19 | C20 | C21 | H21 | 179.9° | 179.9° |
| C20 | C21 | C22 | H21 | 180.0° | 179.9° |
| C20 | C21 | C22 | H22 | 179.9° | 179.9° |
| C21 | C20 | C19 | H19 | 179.7° | 179.9° |
| C22 | C21 | C20 | H20 | 179.9° | 179.8° |
| N23 | C30 | C31 | H30 | 180.0° | 179.9° |
| C30 | N23 | C33 | C32 | 98.3° | 95.0° |
| N23 | C30 | C31 | H31 | 180.0° | 179.8° |
| C30 | N23 | C33 | H331 | 141.8° | 25.0° |
| C30 | N23 | C33 | H332 | 20.2° | 145.0° |
| C33 | N23 | C30 | C31 | 179.9° | 179.8° |
| N23 | C33 | C32 | H331 | 120.0° | 120.1° |
| N23 | C33 | C32 | H332 | 118.5° | 120.0° |
| C33 | N23 | C30 | H30 | 0.1° | 0.0° |
| N23 | C33 | H331 | H332 | 118.6° | 120.0° |
| N23 | C33 | C32 | H321 | 22.6° | 60.0° |
| N23 | C33 | C32 | H322 | 97.4° | 60.0° |
| N23 | C33 | C32 | H323 | 142.5° | 180.0° |
| C25 | C24 | C28 | H241 | 120.0° | 118.1° |
| C25 | C24 | C28 | H242 | 121.0° | 118.1° |
| C24 | C25 | C26 | H251 | 120.0° | 118.7° |
| C24 | C25 | C26 | H252 | 121.4° | 118.7° |
| C24 | C25 | C26 | N27 | 0.1° | 16.3° |
| C24 | C25 | C26 | O29 | 179.9° | 163.7° |
| C25 | C24 | C28 | N27 | 0.1° | 25.4° |
| C24 | C25 | H251 | H252 | 121.5° | 122.6° |
| C25 | C24 | H241 | H242 | 121.0° | 123.8° |
| C25 | C24 | C28 | H281 | 120.1° | 93.6° |
| C25 | C24 | C28 | H282 | 121.9° | 144.4° |
| C28 | C24 | C25 | C26 | 0.1° | 24.8° |
| C24 | C28 | N27 | C26 | 0.1° | 17.0° |
| C24 | C28 | N27 | H281 | 120.0° | 119.0° |
| C24 | C28 | N27 | H282 | 122.0° | 119.0° |
| C28 | C24 | C25 | H251 | 119.9° | 143.5° |
| C28 | C24 | C25 | H252 | 121.6° | 93.9° |
| C28 | C24 | H241 | H242 | 121.0° | 123.8° |
| C24 | C28 | H281 | H282 | 122.2° | 122.0° |
| C25 | C26 | N27 | O29 | 179.8° | 180.0° |
| C25 | C26 | N27 | C28 | 0.0° | 0.4° |
| C26 | C25 | H251 | H252 | 121.5° | 122.6° |
| C26 | C25 | C24 | H241 | 119.9° | 143.0° |
| C26 | C25 | C24 | H242 | 121.1° | 93.3° |
| N27 | C26 | C25 | H251 | 119.9° | 134.9° |
| N27 | C26 | C25 | H252 | 121.5° | 102.4° |
| C26 | N27 | C28 | H281 | 120.1° | 102.0° |
| C26 | N27 | C28 | H282 | 121.9° | 136.0° |
| O29 | C26 | N27 | C28 | 179.8° | 179.6° |
| O29 | C26 | C25 | H251 | 59.9° | 45.1° |
| O29 | C26 | C25 | H252 | 58.7° | 77.6° |
| N27 | C28 | C24 | H241 | 119.9° | 143.5° |
| N27 | C28 | C24 | H242 | 121.1° | 92.7° |
| N27 | C28 | H281 | H282 | 122.2° | 121.9° |
| C32 | C33 | H331 | H332 | 118.5° | 120.0° |
| C33 | C32 | H321 | H322 | 120.0° | 120.0° |
| C33 | C32 | H321 | H323 | 120.0° | 120.0° |
| C33 | C32 | H322 | H323 | 120.0° | 120.0° |
| C35 | C34 | C39 | O40 | 179.9° | 179.7° |
| C34 | C35 | C36 | H35 | 180.0° | 180.0° |
| C34 | C35 | C36 | C37 | 0.0° | 0.0° |
| C35 | C34 | C39 | C38 | 0.1° | 0.1° |
| C35 | C34 | O40 | C41 | 179.8° | 0.1° |
| C35 | C34 | C39 | H39 | 179.9° | 180.0° |
| C34 | C35 | C36 | H36 | 180.0° | 180.0° |
| C39 | C34 | C35 | C36 | 0.0° | 0.0° |
| C34 | C39 | C38 | C37 | 0.1° | 0.1° |
| C34 | C39 | C38 | H39 | 180.0° | 179.9° |
| C39 | C34 | O40 | C41 | 0.0° | 179.7° |
| C39 | C34 | C35 | H35 | 180.0° | 180.0° |
| O40 | C34 | C35 | C36 | 179.9° | 179.7° |
| O40 | C34 | C39 | C38 | 180.0° | 179.7° |
| O40 | C34 | C35 | H35 | 0.1° | 0.3° |
| O40 | C34 | C39 | H39 | 0.0° | 0.3° |
| C34 | O40 | C41 | H411 | 24.8° | 60.1° |
| C34 | O40 | C41 | H412 | 144.7° | 60.0° |
| C34 | O40 | C41 | H413 | 95.2° | 180.0° |
| C35 | C36 | C37 | H36 | 180.0° | 180.0° |
| C35 | C36 | C37 | C38 | 0.1° | 0.0° |
| C35 | C36 | C37 | H37 | 179.9° | 179.9° |
| C36 | C37 | C38 | H37 | 180.0° | 179.9° |
| C36 | C37 | C38 | C39 | 0.1° | 0.0° |
| C37 | C36 | C35 | H35 | 180.0° | 180.0° |
| C37 | C38 | C17 | H171 | 127.3° | 30.0° |
| C37 | C38 | C17 | H172 | 6.8° | 150.0° |
| C37 | C38 | C39 | H39 | 179.9° | 180.0° |
| C38 | C37 | C36 | H36 | 179.9° | 180.0° |
| C39 | C38 | C17 | H171 | 52.7° | 150.0° |
| C39 | C38 | C17 | H172 | 173.2° | 30.0° |
| C39 | C38 | C37 | H37 | 179.9° | 180.0° |
| O40 | C41 | H411 | H412 | 120.0° | 120.0° |
| O40 | C41 | H411 | H413 | 120.0° | 120.0° |
| O40 | C41 | H412 | H413 | 120.0° | 120.0° |
| H31 | C31 | C30 | H30 | 0.0° | 0.1° |
| H8 | N8 | C10 | H10 | 165.8° | 145.0° |
| H10 | C10 | C11 | H111 | 172.4° | 175.0° |
| H10 | C10 | C11 | H112 | 52.4° | 65.0° |
| H10 | C10 | C12 | H12 | 178.4° | 65.0° |
| H12 | C12 | O13 | H13 | 95.0° | 180.0° |
| H12 | C12 | C15 | H151 | 56.4° | 65.0° |
| H12 | C12 | C15 | H152 | 178.9° | 175.0° |
| H151 | C15 | N16 | H16 | 153.3° | 176.1° |
| H152 | C15 | N16 | H16 | 84.2° | 63.9° |
| H18 | C18 | C19 | H19 | 0.2° | 0.0° |
| H22 | C22 | C21 | H21 | 0.1° | 0.1° |
| H16 | N16 | C17 | H171 | 50.8° | 176.0° |
| H16 | N16 | C17 | H172 | 171.3° | 63.9° |
| H19 | C19 | C20 | H20 | 0.3° | 0.0° |
| H20 | C20 | C21 | H21 | 0.1° | 0.2° |
| H331 | C33 | C32 | H321 | 142.6° | 180.0° |
| H331 | C33 | C32 | H322 | 22.5° | 60.1° |
| H331 | C33 | C32 | H323 | 97.5° | 59.9° |
| H332 | C33 | C32 | H321 | 95.9° | 60.0° |
| H332 | C33 | C32 | H322 | 144.0° | 180.0° |
| H332 | C33 | C32 | H323 | 24.0° | 60.0° |
| H251 | C25 | C24 | H241 | 120.1° | 98.3° |
| H251 | C25 | C24 | H242 | 1.1° | 25.4° |
| H252 | C25 | C24 | H241 | 1.6° | 24.3° |
| H252 | C25 | C24 | H242 | 117.5° | 148.1° |
| H321 | C32 | H322 | H323 | 120.0° | 120.0° |
| H35 | C35 | C36 | H36 | 0.0° | 0.0° |
| H36 | C36 | C37 | H37 | 0.0° | 0.0° |
| H411 | C41 | H412 | H413 | 120.0° | 120.0° |
| H241 | C24 | C28 | H281 | 0.1° | 24.5° |
| H241 | C24 | C28 | H282 | 118.1° | 97.5° |
| H242 | C24 | C28 | H281 | 118.9° | 148.3° |
| H242 | C24 | C28 | H282 | 0.9° | 26.3° |
