7U5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C09 | doub | 1.41Å | 1.42Å | Aromatic |
| C10 | C11 | sing | 1.36Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.51Å | 1.56Å | |
| C17 | C16 | sing | 1.51Å | 1.55Å | |
| C20 | C09 | sing | 1.38Å | 1.41Å | Aromatic |
| C20 | C19 | doub | 1.40Å | 1.46Å | Aromatic |
| C22 | C06 | sing | 1.53Å | 1.59Å | |
| C22 | C23 | sing | 1.51Å | 1.57Å | |
| C24 | C23 | doub | 1.38Å | 1.42Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.42Å | Aromatic |
| C26 | C23 | sing | 1.38Å | 1.43Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.41Å | Aromatic |
| C28 | C25 | doub | 1.40Å | 1.41Å | Aromatic |
| C28 | C27 | sing | 1.40Å | 1.43Å | Aromatic |
| C02 | C06 | sing | 1.51Å | 1.61Å | |
| C02 | N03 | sing | 1.35Å | 1.44Å | |
| C02 | O01 | doub | 1.21Å | 1.22Å | |
| C04 | C05 | sing | 1.53Å | 1.55Å | |
| C04 | N03 | sing | 1.46Å | 1.52Å | |
| C06 | N07 | sing | 1.47Å | 1.52Å | |
| C08 | C09 | sing | 1.48Å | 1.59Å | |
| C08 | N07 | sing | 1.35Å | 1.47Å | |
| C08 | O21 | doub | 1.22Å | 1.21Å | |
| C11 | C12 | doub | 1.41Å | 1.43Å | Aromatic |
| C12 | C19 | sing | 1.42Å | 1.42Å | Aromatic |
| C12 | N13 | sing | 1.34Å | 1.39Å | Aromatic |
| C14 | C16 | sing | 1.40Å | 1.46Å | Aromatic |
| C14 | N13 | doub | 1.31Å | 1.35Å | Aromatic |
| C16 | N18 | doub | 1.31Å | 1.34Å | Aromatic |
| C19 | N18 | sing | 1.34Å | 1.40Å | Aromatic |
| C29 | C30 | trip | 1.17Å | 1.22Å | |
| C30 | C31 | sing | 1.43Å | 1.45Å | |
| C31 | C32 | doub | 1.41Å | 1.40Å | Aromatic |
| C31 | C34 | sing | 1.39Å | 1.40Å | Aromatic |
| C32 | C33 | sing | 1.36Å | 1.40Å | Aromatic |
| C33 | C36 | doub | 1.41Å | 1.41Å | Aromatic |
| C34 | C35 | doub | 1.40Å | 1.41Å | Aromatic |
| C35 | C36 | sing | 1.42Å | 1.43Å | Aromatic |
| C35 | N40 | sing | 1.34Å | 1.37Å | Aromatic |
| C36 | N37 | sing | 1.34Å | 1.37Å | Aromatic |
| C38 | C39 | sing | 1.40Å | 1.40Å | Aromatic |
| C38 | N37 | doub | 1.31Å | 1.36Å | Aromatic |
| C39 | N40 | doub | 1.31Å | 1.36Å | Aromatic |
| C28 | C29 | sing | 1.43Å | 1.71Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C15 | H153 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C17 | H173 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C05 | H053 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C06 | H06 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| C39 | H39 | sing | 1.08Å | 1.08Å | |
| N03 | HN03 | sing | 0.97Å | 1.00Å | |
| N07 | HN07 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C09 | C10 | C11 | 122.0° | 120.8° |
| C10 | C09 | C20 | 117.0° | 120.5° |
| C10 | C09 | C08 | 119.1° | 119.7° |
| C09 | C10 | H10 | 119.0° | 119.6° |
| C10 | C11 | C12 | 121.8° | 120.1° |
| C11 | C10 | H10 | 119.0° | 119.6° |
| C10 | C11 | H11 | 119.1° | 119.9° |
| C15 | C14 | C16 | 120.7° | 119.6° |
| C15 | C14 | N13 | 118.1° | 119.6° |
| C14 | C15 | H153 | 109.5° | 109.5° |
| C14 | C15 | H152 | 109.5° | 109.5° |
| C14 | C15 | H151 | 109.4° | 109.5° |
| C17 | C16 | C14 | 120.1° | 119.7° |
| C17 | C16 | N18 | 118.7° | 119.7° |
| C16 | C17 | H173 | 109.5° | 109.4° |
| C16 | C17 | H171 | 109.5° | 109.5° |
| C16 | C17 | H172 | 109.5° | 109.4° |
| C09 | C20 | C19 | 122.2° | 119.5° |
| C20 | C09 | C08 | 123.9° | 119.8° |
| C09 | C20 | H20 | 118.9° | 120.3° |
| C20 | C19 | C12 | 118.6° | 119.4° |
| C20 | C19 | N18 | 121.6° | 120.9° |
| C19 | C20 | H20 | 118.9° | 120.2° |
| C06 | C22 | C23 | 106.9° | 109.5° |
| C22 | C06 | C02 | 111.5° | 109.5° |
| C22 | C06 | N07 | 110.5° | 109.4° |
| C06 | C22 | H222 | 110.1° | 109.5° |
| C06 | C22 | H221 | 110.1° | 109.5° |
| C22 | C06 | H06 | 108.6° | 109.5° |
| C22 | C23 | C24 | 124.0° | 119.8° |
| C22 | C23 | C26 | 117.7° | 119.9° |
| C23 | C22 | H222 | 110.1° | 109.5° |
| C23 | C22 | H221 | 110.1° | 109.5° |
| C23 | C24 | C25 | 121.4° | 120.2° |
| C24 | C23 | C26 | 118.3° | 120.3° |
| C23 | C24 | H24 | 119.3° | 119.9° |
| C24 | C25 | C28 | 120.5° | 119.8° |
| C25 | C24 | H24 | 119.3° | 120.0° |
| C24 | C25 | H25 | 119.8° | 120.1° |
| C23 | C26 | C27 | 120.3° | 120.2° |
| C23 | C26 | H26 | 119.8° | 119.9° |
| C26 | C27 | C28 | 121.3° | 119.8° |
| C27 | C26 | H26 | 119.9° | 119.9° |
| C26 | C27 | H27 | 119.4° | 120.1° |
| C25 | C28 | C27 | 118.3° | 119.7° |
| C25 | C28 | C29 | 116.7° | 120.2° |
| C28 | C25 | H25 | 119.7° | 120.1° |
| C27 | C28 | C29 | 125.0° | 120.1° |
| C28 | C27 | H27 | 119.4° | 120.1° |
| C06 | C02 | N03 | 121.3° | 120.0° |
| C06 | C02 | O01 | 119.1° | 120.0° |
| C02 | C06 | N07 | 108.4° | 109.4° |
| C02 | C06 | H06 | 108.3° | 109.5° |
| N03 | C02 | O01 | 119.6° | 120.0° |
| C02 | N03 | C04 | 125.2° | 120.0° |
| C02 | N03 | HN03 | 117.4° | 120.0° |
| C05 | C04 | N03 | 112.6° | 109.5° |
| C05 | C04 | H041 | 108.7° | 109.5° |
| C05 | C04 | H042 | 108.7° | 109.5° |
| C04 | C05 | H051 | 109.5° | 109.5° |
| C04 | C05 | H053 | 109.5° | 109.5° |
| C04 | C05 | H052 | 109.5° | 109.5° |
| N03 | C04 | H041 | 108.7° | 109.5° |
| N03 | C04 | H042 | 108.7° | 109.5° |
| C04 | N03 | HN03 | 117.4° | 120.0° |
| C06 | N07 | C08 | 125.7° | 120.0° |
| N07 | C06 | H06 | 109.5° | 109.5° |
| C06 | N07 | HN07 | 117.1° | 120.0° |
| C09 | C08 | N07 | 119.6° | 120.0° |
| C09 | C08 | O21 | 120.1° | 120.0° |
| N07 | C08 | O21 | 120.3° | 120.0° |
| C08 | N07 | HN07 | 117.2° | 120.0° |
| C11 | C12 | C19 | 118.4° | 119.7° |
| C11 | C12 | N13 | 119.7° | 120.9° |
| C12 | C11 | H11 | 119.1° | 120.0° |
| C19 | C12 | N13 | 121.9° | 119.5° |
| C12 | C19 | N18 | 119.9° | 119.6° |
| C12 | N13 | C14 | 117.5° | 119.7° |
| C16 | C14 | N13 | 121.2° | 120.8° |
| C14 | C16 | N18 | 121.2° | 120.7° |
| C16 | N18 | C19 | 118.4° | 119.8° |
| C29 | C30 | C31 | 177.1° | 180.0° |
| C30 | C29 | C28 | 164.3° | 180.0° |
| C30 | C31 | C32 | 119.4° | 119.7° |
| C30 | C31 | C34 | 120.1° | 119.8° |
| C32 | C31 | C34 | 120.5° | 120.5° |
| C31 | C32 | C33 | 120.9° | 120.8° |
| C31 | C32 | H32 | 119.6° | 119.6° |
| C31 | C34 | C35 | 120.0° | 119.5° |
| C31 | C34 | H34 | 120.0° | 120.3° |
| C32 | C33 | C36 | 119.8° | 120.1° |
| C33 | C32 | H32 | 119.6° | 119.6° |
| C32 | C33 | H33 | 120.1° | 120.0° |
| C33 | C36 | C35 | 119.3° | 119.7° |
| C33 | C36 | N37 | 119.4° | 120.8° |
| C36 | C33 | H33 | 120.1° | 119.9° |
| C34 | C35 | C36 | 119.4° | 119.5° |
| C34 | C35 | N40 | 119.6° | 120.9° |
| C35 | C34 | H34 | 120.0° | 120.2° |
| C36 | C35 | N40 | 120.9° | 119.6° |
| C35 | C36 | N37 | 121.2° | 119.5° |
| C35 | N40 | C39 | 116.8° | 119.7° |
| C36 | N37 | C38 | 116.7° | 119.7° |
| C39 | C38 | N37 | 122.2° | 120.7° |
| C38 | C39 | N40 | 122.2° | 120.7° |
| C39 | C38 | H38 | 118.9° | 119.6° |
| C38 | C39 | H39 | 118.9° | 119.6° |
| N37 | C38 | H38 | 118.9° | 119.6° |
| N40 | C39 | H39 | 118.9° | 119.7° |
| H153 | C15 | H152 | 109.4° | 109.4° |
| H153 | C15 | H151 | 109.5° | 109.5° |
| H152 | C15 | H151 | 109.5° | 109.5° |
| H173 | C17 | H171 | 109.5° | 109.5° |
| H173 | C17 | H172 | 109.5° | 109.4° |
| H171 | C17 | H172 | 109.4° | 109.5° |
| H222 | C22 | H221 | 109.5° | 109.4° |
| H041 | C04 | H042 | 109.5° | 109.5° |
| H051 | C05 | H053 | 109.5° | 109.5° |
| H051 | C05 | H052 | 109.5° | 109.4° |
| H053 | C05 | H052 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C09 | C10 | C11 | H10 | 180.0° | 179.8° |
| C10 | C09 | C20 | C08 | 178.1° | 179.9° |
| C10 | C09 | C20 | C19 | 0.5° | 0.0° |
| C10 | C09 | C08 | N07 | 126.5° | 0.1° |
| C10 | C09 | C08 | O21 | 51.4° | 180.0° |
| C09 | C10 | C11 | C12 | 0.2° | 0.1° |
| C10 | C09 | C20 | H20 | 179.5° | 180.0° |
| C09 | C10 | C11 | H11 | 179.7° | 180.0° |
| C11 | C10 | C09 | C20 | 0.5° | 0.1° |
| C11 | C10 | C09 | C08 | 178.6° | 180.0° |
| C10 | C11 | C12 | H11 | 180.0° | 179.9° |
| C10 | C11 | C12 | C19 | 0.0° | 0.1° |
| C10 | C11 | C12 | N13 | 179.9° | 180.0° |
| C15 | C14 | C16 | C17 | 0.1° | 0.0° |
| C15 | C14 | N13 | C12 | 179.9° | 180.0° |
| C15 | C14 | C16 | N13 | 179.9° | 179.9° |
| C15 | C14 | C16 | N18 | 180.0° | 180.0° |
| C14 | C15 | H153 | H152 | 120.0° | 120.0° |
| C14 | C15 | H153 | H151 | 120.0° | 120.0° |
| C14 | C15 | H152 | H151 | 120.0° | 120.0° |
| C17 | C16 | C14 | N18 | 179.9° | 179.9° |
| C17 | C16 | C14 | N13 | 179.9° | 179.9° |
| C17 | C16 | N18 | C19 | 179.8° | 179.9° |
| C16 | C17 | H173 | H171 | 120.0° | 120.0° |
| C16 | C17 | H173 | H172 | 120.0° | 119.9° |
| C16 | C17 | H171 | H172 | 120.0° | 120.0° |
| C09 | C20 | C19 | H20 | 180.0° | 179.9° |
| C20 | C09 | C08 | N07 | 51.5° | 180.0° |
| C20 | C09 | C08 | O21 | 130.5° | 0.0° |
| C09 | C20 | C19 | C12 | 0.3° | 0.0° |
| C09 | C20 | C19 | N18 | 179.8° | 180.0° |
| C20 | C09 | C10 | H10 | 179.6° | 179.7° |
| C19 | C20 | C09 | C08 | 178.5° | 180.0° |
| C20 | C19 | C12 | C11 | 0.0° | 0.1° |
| C20 | C19 | C12 | N18 | 179.9° | 180.0° |
| C20 | C19 | C12 | N13 | 179.9° | 180.0° |
| C20 | C19 | N18 | C16 | 180.0° | 180.0° |
| C06 | C22 | C23 | H222 | 119.6° | 120.0° |
| C06 | C22 | C23 | H221 | 119.6° | 120.0° |
| C06 | C22 | C23 | C24 | 90.1° | 90.0° |
| C06 | C22 | C23 | C26 | 87.4° | 90.0° |
| C22 | C06 | C02 | N07 | 121.8° | 119.9° |
| C22 | C06 | C02 | H06 | 119.5° | 120.0° |
| C22 | C06 | C02 | N03 | 61.4° | 60.0° |
| C22 | C06 | C02 | O01 | 119.4° | 120.0° |
| C22 | C06 | N07 | H06 | 119.6° | 120.0° |
| C22 | C06 | N07 | C08 | 108.0° | 155.0° |
| C06 | C22 | H222 | H221 | 121.2° | 120.0° |
| C22 | C06 | N07 | HN07 | 72.0° | 24.9° |
| C22 | C23 | C24 | C26 | 177.5° | 180.0° |
| C22 | C23 | C24 | C25 | 178.1° | 180.0° |
| C22 | C23 | C26 | C27 | 178.7° | 180.0° |
| C23 | C22 | C06 | C02 | 159.2° | 175.0° |
| C23 | C22 | C06 | N07 | 38.6° | 65.0° |
| C23 | C22 | H222 | H221 | 121.2° | 120.0° |
| C22 | C23 | C24 | H24 | 1.9° | 0.3° |
| C22 | C23 | C26 | H26 | 1.3° | 0.0° |
| C23 | C22 | C06 | H06 | 81.5° | 55.0° |
| C23 | C24 | C25 | H24 | 180.0° | 179.8° |
| C24 | C23 | C26 | C27 | 1.0° | 0.0° |
| C23 | C24 | C25 | C28 | 0.5° | 0.0° |
| C24 | C23 | C22 | H222 | 150.3° | 30.0° |
| C24 | C23 | C22 | H221 | 29.5° | 150.0° |
| C24 | C23 | C26 | H26 | 179.0° | 180.0° |
| C23 | C24 | C25 | H25 | 179.5° | 180.0° |
| C25 | C24 | C23 | C26 | 0.6° | 0.0° |
| C24 | C25 | C28 | H25 | 180.0° | 180.0° |
| C24 | C25 | C28 | C27 | 1.1° | 0.1° |
| C24 | C25 | C28 | C29 | 179.0° | 180.0° |
| C23 | C26 | C27 | H26 | 180.0° | 180.0° |
| C23 | C26 | C27 | C28 | 0.3° | 0.1° |
| C26 | C23 | C22 | H222 | 32.2° | 150.0° |
| C26 | C23 | C22 | H221 | 153.0° | 30.0° |
| C26 | C23 | C24 | H24 | 179.4° | 179.8° |
| C23 | C26 | C27 | H27 | 179.7° | 180.0° |
| C26 | C27 | C28 | C25 | 0.7° | 0.1° |
| C26 | C27 | C28 | H27 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 179.4° | 180.0° |
| C25 | C28 | C27 | C29 | 179.8° | 179.9° |
| C25 | C28 | C29 | C30 | 172.7° | 59.3° |
| C28 | C25 | C24 | H24 | 179.5° | 179.7° |
| C25 | C28 | C27 | H27 | 179.3° | 180.0° |
| C27 | C28 | C29 | C30 | 7.2° | 120.7° |
| C28 | C27 | C26 | H26 | 179.7° | 179.9° |
| C27 | C28 | C25 | H25 | 178.8° | 180.0° |
| C06 | C02 | N03 | O01 | 179.2° | 180.0° |
| C06 | C02 | N03 | C04 | 179.8° | 180.0° |
| C02 | C06 | N07 | H06 | 117.9° | 120.0° |
| C02 | C06 | N07 | C08 | 129.5° | 85.1° |
| C02 | C06 | C22 | H222 | 81.2° | 55.0° |
| C02 | C06 | C22 | H221 | 39.6° | 65.0° |
| C06 | C02 | N03 | HN03 | 0.2° | 0.1° |
| C02 | C06 | N07 | HN07 | 50.5° | 95.1° |
| C02 | N03 | C04 | C05 | 75.4° | 180.0° |
| C02 | N03 | C04 | HN03 | 180.0° | 179.9° |
| N03 | C02 | C06 | N07 | 60.4° | 180.0° |
| C02 | N03 | C04 | H041 | 164.1° | 60.0° |
| C02 | N03 | C04 | H042 | 45.0° | 60.0° |
| N03 | C02 | C06 | H06 | 179.1° | 60.0° |
| O01 | C02 | N03 | C04 | 1.0° | 0.0° |
| O01 | C02 | C06 | N07 | 118.8° | 0.0° |
| O01 | C02 | C06 | H06 | 0.1° | 120.0° |
| O01 | C02 | N03 | HN03 | 179.0° | 179.9° |
| C05 | C04 | N03 | H041 | 120.5° | 120.0° |
| C05 | C04 | N03 | H042 | 120.5° | 120.0° |
| C05 | C04 | H041 | H042 | 118.6° | 120.0° |
| C04 | C05 | H051 | H053 | 120.0° | 120.0° |
| C04 | C05 | H051 | H052 | 120.0° | 120.0° |
| C04 | C05 | H053 | H052 | 120.0° | 120.0° |
| C05 | C04 | N03 | HN03 | 104.6° | 0.1° |
| N03 | C04 | H041 | H042 | 118.6° | 120.0° |
| N03 | C04 | C05 | H051 | 180.0° | 60.0° |
| N03 | C04 | C05 | H053 | 60.0° | 180.0° |
| N03 | C04 | C05 | H052 | 60.0° | 60.0° |
| C06 | N07 | C08 | C09 | 179.9° | 180.0° |
| C06 | N07 | C08 | HN07 | 180.0° | 179.9° |
| C06 | N07 | C08 | O21 | 1.9° | 0.0° |
| N07 | C06 | C22 | H222 | 158.2° | 174.9° |
| N07 | C06 | C22 | H221 | 81.0° | 55.0° |
| C09 | C08 | N07 | O21 | 177.9° | 180.0° |
| C08 | C09 | C10 | H10 | 1.4° | 0.3° |
| C08 | C09 | C20 | H20 | 1.5° | 0.1° |
| C09 | C08 | N07 | HN07 | 0.1° | 0.1° |
| C08 | N07 | C06 | H06 | 11.6° | 35.0° |
| O21 | C08 | N07 | HN07 | 178.1° | 179.9° |
| C11 | C12 | C19 | N13 | 179.9° | 179.9° |
| C11 | C12 | N13 | C14 | 179.9° | 179.9° |
| C11 | C12 | C19 | N18 | 179.9° | 180.0° |
| C12 | C11 | C10 | H10 | 179.8° | 179.7° |
| C19 | C12 | N13 | C14 | 0.2° | 0.0° |
| C12 | C19 | N18 | C16 | 0.1° | 0.1° |
| C12 | C19 | C20 | H20 | 179.7° | 180.0° |
| C19 | C12 | C11 | H11 | 180.0° | 180.0° |
| C12 | N13 | C14 | C16 | 0.2° | 0.1° |
| N13 | C12 | C19 | N18 | 0.0° | 0.0° |
| N13 | C12 | C11 | H11 | 0.1° | 0.1° |
| C14 | C16 | N18 | C19 | 0.1° | 0.0° |
| C16 | C14 | C15 | H153 | 179.9° | 90.0° |
| C16 | C14 | C15 | H152 | 60.1° | 150.0° |
| C16 | C14 | C15 | H151 | 59.9° | 30.0° |
| C14 | C16 | C17 | H173 | 179.9° | 90.0° |
| C14 | C16 | C17 | H171 | 60.1° | 150.0° |
| C14 | C16 | C17 | H172 | 59.9° | 29.9° |
| N13 | C14 | C16 | N18 | 0.0° | 0.0° |
| N13 | C14 | C15 | H153 | 0.0° | 89.9° |
| N13 | C14 | C15 | H152 | 120.0° | 30.1° |
| N13 | C14 | C15 | H151 | 120.0° | 150.0° |
| N18 | C16 | C17 | H173 | 0.0° | 90.1° |
| N18 | C16 | C17 | H171 | 120.0° | 30.0° |
| N18 | C16 | C17 | H172 | 120.0° | 150.0° |
| N18 | C19 | C20 | H20 | 0.2° | 0.1° |
| C29 | C30 | C31 | C32 | 0.2° | 170.7° |
| C29 | C30 | C31 | C34 | 179.8° | 9.1° |
| C30 | C31 | C32 | C34 | 180.0° | 179.7° |
| C30 | C31 | C32 | C33 | 179.9° | 180.0° |
| C30 | C31 | C34 | C35 | 179.9° | 180.0° |
| C31 | C30 | C29 | C28 | 5.0° | 50.0° |
| C30 | C31 | C32 | H32 | 0.1° | 0.0° |
| C30 | C31 | C34 | H34 | 0.1° | 0.1° |
| C31 | C32 | C33 | H32 | 180.0° | 179.9° |
| C31 | C32 | C33 | C36 | 0.0° | 0.0° |
| C32 | C31 | C34 | C35 | 0.1° | 0.3° |
| C31 | C32 | C33 | H33 | 180.0° | 180.0° |
| C32 | C31 | C34 | H34 | 179.9° | 179.7° |
| C34 | C31 | C32 | C33 | 0.0° | 0.3° |
| C31 | C34 | C35 | H34 | 180.0° | 179.9° |
| C31 | C34 | C35 | C36 | 0.1° | 0.0° |
| C31 | C34 | C35 | N40 | 179.9° | 180.0° |
| C34 | C31 | C32 | H32 | 179.9° | 179.8° |
| C32 | C33 | C36 | H33 | 180.0° | 180.0° |
| C32 | C33 | C36 | C35 | 0.1° | 0.3° |
| C32 | C33 | C36 | N37 | 179.9° | 180.0° |
| C33 | C36 | C35 | C34 | 0.0° | 0.3° |
| C33 | C36 | C35 | N37 | 179.9° | 179.8° |
| C33 | C36 | C35 | N40 | 180.0° | 179.7° |
| C33 | C36 | N37 | C38 | 180.0° | 180.0° |
| C36 | C33 | C32 | H32 | 180.0° | 180.0° |
| C34 | C35 | C36 | N40 | 180.0° | 180.0° |
| C34 | C35 | C36 | N37 | 179.9° | 180.0° |
| C34 | C35 | N40 | C39 | 179.9° | 180.0° |
| C35 | C36 | N37 | C38 | 0.1° | 0.3° |
| C36 | C35 | N40 | C39 | 0.1° | 0.1° |
| C35 | C36 | C33 | H33 | 179.9° | 179.7° |
| C36 | C35 | C34 | H34 | 179.9° | 180.0° |
| N40 | C35 | C36 | N37 | 0.1° | 0.0° |
| C35 | N40 | C39 | C38 | 0.0° | 0.4° |
| N40 | C35 | C34 | H34 | 0.1° | 0.1° |
| C35 | N40 | C39 | H39 | 180.0° | 179.7° |
| C36 | N37 | C38 | C39 | 0.0° | 0.6° |
| N37 | C36 | C33 | H33 | 0.1° | 0.1° |
| C36 | N37 | C38 | H38 | 180.0° | 179.9° |
| C39 | C38 | N37 | H38 | 180.0° | 179.3° |
| C38 | C39 | N40 | H39 | 180.0° | 179.3° |
| N37 | C38 | C39 | N40 | 0.0° | 0.7° |
| N37 | C38 | C39 | H39 | 180.0° | 180.0° |
| N40 | C39 | C38 | H38 | 180.0° | 180.0° |
| C29 | C28 | C25 | H25 | 1.0° | 0.0° |
| C29 | C28 | C27 | H27 | 0.6° | 0.0° |
| H10 | C10 | C11 | H11 | 0.2° | 0.2° |
| H153 | C15 | H152 | H151 | 120.0° | 120.1° |
| H173 | C17 | H171 | H172 | 120.0° | 120.0° |
| H222 | C22 | C06 | H06 | 38.1° | 65.0° |
| H221 | C22 | C06 | H06 | 158.9° | 175.0° |
| H24 | C24 | C25 | H25 | 0.5° | 0.2° |
| H26 | C26 | C27 | H27 | 0.3° | 0.0° |
| H041 | C04 | C05 | H051 | 59.5° | 180.0° |
| H041 | C04 | C05 | H053 | 60.5° | 60.0° |
| H041 | C04 | C05 | H052 | 179.5° | 60.0° |
| H041 | C04 | N03 | HN03 | 15.9° | 119.9° |
| H042 | C04 | C05 | H051 | 59.6° | 60.0° |
| H042 | C04 | C05 | H053 | 179.6° | 60.0° |
| H042 | C04 | C05 | H052 | 60.5° | NaN° |
| H042 | C04 | N03 | HN03 | 135.0° | 120.1° |
| H051 | C05 | H053 | H052 | 120.0° | 120.0° |
| H06 | C06 | N07 | HN07 | 168.4° | 144.9° |
| H32 | C32 | C33 | H33 | 0.0° | 0.1° |
| H38 | C38 | C39 | H39 | 0.0° | 0.7° |
