A1D5N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C31 | C32 | doub | 1.33Å | 1.45Å | Aromatic |
| C31 | C30 | sing | 1.39Å | 1.59Å | Aromatic |
| C32 | S01 | sing | 1.76Å | 1.55Å | Aromatic |
| C30 | C28 | doub | 1.33Å | 1.45Å | Aromatic |
| S01 | C28 | sing | 1.76Å | 1.54Å | Aromatic |
| C28 | C17 | sing | 1.51Å | 1.52Å | |
| C17 | C12 | sing | 1.51Å | 1.53Å | |
| C12 | N06 | doub | 1.30Å | 1.35Å | Aromatic |
| C12 | N05 | sing | 1.36Å | 1.36Å | Aromatic |
| N06 | C16 | sing | 1.36Å | 1.32Å | Aromatic |
| C22 | C09 | sing | 1.53Å | 1.52Å | |
| C27 | C15 | sing | 1.53Å | 1.53Å | |
| N05 | C08 | sing | 1.46Å | 1.45Å | |
| N05 | C11 | sing | 1.38Å | 1.32Å | Aromatic |
| C16 | C21 | doub | 1.39Å | 1.57Å | Aromatic |
| C16 | C11 | sing | 1.41Å | 1.38Å | Aromatic |
| C09 | C08 | sing | 1.53Å | 1.53Å | |
| C08 | C10 | sing | 1.53Å | 1.53Å | |
| C26 | C15 | sing | 1.53Å | 1.53Å | |
| C21 | C20 | sing | 1.39Å | 1.50Å | Aromatic |
| C11 | C18 | doub | 1.39Å | 1.56Å | Aromatic |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C20 | C25 | sing | 1.48Å | 1.52Å | |
| C20 | C24 | doub | 1.40Å | 1.48Å | Aromatic |
| C18 | C24 | sing | 1.36Å | 1.50Å | Aromatic |
| C10 | C23 | sing | 1.53Å | 1.53Å | |
| C25 | O02 | doub | 1.22Å | 1.18Å | |
| C25 | N07 | sing | 1.35Å | 1.45Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| N07 | C13 | sing | 1.47Å | 1.45Å | |
| C13 | C19 | sing | 1.53Å | 1.53Å | |
| C19 | C29 | sing | 1.51Å | 1.53Å | |
| O04 | C29 | doub | 1.21Å | 1.26Å | |
| C29 | O03 | sing | 1.34Å | 1.26Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H223 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H233 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C26 | H263 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H273 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| N07 | H071 | sing | 0.97Å | 1.00Å | |
| O03 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C32 | C31 | C30 | 108.4° | 114.9° |
| C31 | C32 | S01 | 107.7° | 109.6° |
| C32 | C31 | H311 | 125.8° | 122.6° |
| C31 | C32 | H321 | 126.2° | 125.2° |
| C31 | C30 | C28 | 108.2° | 114.9° |
| C31 | C30 | H301 | 125.9° | 122.6° |
| C30 | C31 | H311 | 125.8° | 122.5° |
| C32 | S01 | C28 | 107.8° | 91.0° |
| S01 | C32 | H321 | 126.1° | 125.2° |
| C30 | C28 | S01 | 107.9° | 109.6° |
| C30 | C28 | C17 | 126.6° | 125.2° |
| C28 | C30 | H301 | 125.9° | 122.5° |
| S01 | C28 | C17 | 125.5° | 125.2° |
| C28 | C17 | C12 | 108.8° | 109.5° |
| C28 | C17 | H172 | 109.7° | 109.4° |
| C28 | C17 | H171 | 109.6° | 109.5° |
| C17 | C12 | N06 | 125.7° | 124.9° |
| C17 | C12 | N05 | 126.1° | 124.9° |
| C12 | C17 | H172 | 109.6° | 109.5° |
| C12 | C17 | H171 | 109.6° | 109.5° |
| N06 | C12 | N05 | 108.2° | 110.2° |
| C12 | N06 | C16 | 107.9° | 109.5° |
| C12 | N05 | C08 | 126.1° | 126.3° |
| C12 | N05 | C11 | 107.9° | 107.4° |
| N06 | C16 | C21 | 131.6° | 133.5° |
| N06 | C16 | C11 | 108.0° | 107.0° |
| C22 | C09 | C08 | 109.2° | 109.5° |
| C22 | C09 | H092 | 109.5° | 109.5° |
| C22 | C09 | H091 | 109.5° | 109.5° |
| C09 | C22 | H221 | 109.5° | 109.4° |
| C09 | C22 | H222 | 109.5° | 109.5° |
| C09 | C22 | H223 | 109.5° | 109.4° |
| C27 | C15 | C26 | 109.4° | 109.5° |
| C27 | C15 | C14 | 109.3° | 109.5° |
| C27 | C15 | H151 | 109.3° | 109.5° |
| C15 | C27 | H271 | 109.5° | 109.5° |
| C15 | C27 | H273 | 109.5° | 109.5° |
| C15 | C27 | H272 | 109.5° | 109.5° |
| C08 | N05 | C11 | 126.1° | 126.3° |
| N05 | C08 | C09 | 110.2° | 109.5° |
| N05 | C08 | C10 | 109.3° | 109.5° |
| N05 | C08 | H081 | 110.0° | 109.5° |
| N05 | C11 | C16 | 108.0° | 105.9° |
| N05 | C11 | C18 | 131.4° | 133.9° |
| C21 | C16 | C11 | 120.4° | 119.5° |
| C16 | C21 | C20 | 119.6° | 119.5° |
| C16 | C21 | H211 | 120.2° | 120.3° |
| C16 | C11 | C18 | 120.5° | 120.2° |
| C09 | C08 | C10 | 109.4° | 109.4° |
| C09 | C08 | H081 | 109.0° | 109.5° |
| C08 | C09 | H092 | 109.6° | 109.4° |
| C08 | C09 | H091 | 109.6° | 109.5° |
| C08 | C10 | C23 | 110.2° | 109.4° |
| C10 | C08 | H081 | 109.0° | 109.5° |
| C08 | C10 | H101 | 109.3° | 109.4° |
| C08 | C10 | H102 | 109.3° | 109.5° |
| C26 | C15 | C14 | 110.1° | 109.4° |
| C26 | C15 | H151 | 109.3° | 109.5° |
| C15 | C26 | H263 | 109.5° | 109.4° |
| C15 | C26 | H261 | 109.5° | 109.5° |
| C15 | C26 | H262 | 109.5° | 109.5° |
| C21 | C20 | C25 | 120.6° | 119.9° |
| C21 | C20 | C24 | 119.9° | 120.2° |
| C20 | C21 | H211 | 120.2° | 120.2° |
| C11 | C18 | C24 | 119.8° | 120.2° |
| C11 | C18 | H181 | 120.1° | 119.9° |
| C15 | C14 | C13 | 110.7° | 109.4° |
| C15 | C14 | H141 | 109.2° | 109.5° |
| C15 | C14 | H142 | 109.2° | 109.5° |
| C14 | C15 | H151 | 109.3° | 109.5° |
| C25 | C20 | C24 | 119.5° | 119.9° |
| C20 | C25 | O02 | 119.9° | 120.0° |
| C20 | C25 | N07 | 119.6° | 120.0° |
| C20 | C24 | C18 | 119.7° | 120.4° |
| C20 | C24 | H241 | 120.1° | 119.7° |
| C24 | C18 | H181 | 120.1° | 119.9° |
| C18 | C24 | H241 | 120.1° | 119.8° |
| C23 | C10 | H101 | 109.3° | 109.4° |
| C23 | C10 | H102 | 109.3° | 109.5° |
| C10 | C23 | H231 | 109.5° | 109.4° |
| C10 | C23 | H232 | 109.5° | 109.5° |
| C10 | C23 | H233 | 109.5° | 109.4° |
| O02 | C25 | N07 | 120.5° | 120.0° |
| C25 | N07 | C13 | 120.5° | 120.0° |
| C25 | N07 | H071 | 119.7° | 120.1° |
| C14 | C13 | N07 | 109.8° | 109.4° |
| C14 | C13 | C19 | 109.1° | 109.5° |
| C14 | C13 | H131 | 109.5° | 109.5° |
| C13 | C14 | H141 | 109.2° | 109.5° |
| C13 | C14 | H142 | 109.2° | 109.5° |
| N07 | C13 | C19 | 108.2° | 109.5° |
| N07 | C13 | H131 | 110.6° | 109.5° |
| C13 | N07 | H071 | 119.7° | 120.0° |
| C13 | C19 | C29 | 109.9° | 109.5° |
| C19 | C13 | H131 | 109.5° | 109.5° |
| C13 | C19 | H192 | 109.4° | 109.5° |
| C13 | C19 | H191 | 109.3° | 109.5° |
| C19 | C29 | O04 | 119.9° | 120.0° |
| C19 | C29 | O03 | 120.1° | 120.0° |
| C29 | C19 | H192 | 109.4° | 109.4° |
| C29 | C19 | H191 | 109.4° | 109.4° |
| O04 | C29 | O03 | 120.0° | 120.0° |
| C29 | O03 | H1 | 109.5° | 117.0° |
| H092 | C09 | H091 | 109.4° | 109.5° |
| H101 | C10 | H102 | 109.4° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H172 | C17 | H171 | 109.4° | 109.4° |
| H192 | C19 | H191 | 109.4° | 109.5° |
| H221 | C22 | H222 | 109.4° | 109.5° |
| H221 | C22 | H223 | 109.4° | 109.5° |
| H222 | C22 | H223 | 109.5° | 109.5° |
| H231 | C23 | H232 | 109.5° | 109.5° |
| H231 | C23 | H233 | 109.5° | 109.5° |
| H232 | C23 | H233 | 109.5° | 109.5° |
| H263 | C26 | H261 | 109.5° | 109.5° |
| H263 | C26 | H262 | 109.5° | 109.4° |
| H261 | C26 | H262 | 109.4° | 109.5° |
| H271 | C27 | H273 | 109.4° | 109.5° |
| H271 | C27 | H272 | 109.4° | 109.5° |
| H273 | C27 | H272 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C32 | C31 | C30 | H311 | 180.0° | 179.7° |
| C31 | C32 | S01 | H321 | 180.0° | 179.7° |
| C32 | C31 | C30 | C28 | 0.1° | 0.0° |
| C31 | C32 | S01 | C28 | 0.1° | 0.4° |
| C32 | C31 | C30 | H301 | 179.8° | 179.9° |
| C30 | C31 | C32 | S01 | 0.0° | 0.3° |
| C31 | C30 | C28 | H301 | 180.0° | 179.9° |
| C31 | C30 | C28 | S01 | 0.2° | 0.3° |
| C31 | C30 | C28 | C17 | 179.9° | 180.0° |
| C30 | C31 | C32 | H321 | 179.9° | 180.0° |
| C32 | S01 | C28 | C30 | 0.1° | 0.4° |
| C32 | S01 | C28 | C17 | 179.9° | 179.9° |
| S01 | C32 | C31 | H311 | 180.0° | 180.0° |
| C30 | C28 | S01 | C17 | 179.7° | 179.7° |
| C30 | C28 | C17 | C12 | 79.5° | 94.8° |
| C30 | C28 | C17 | H172 | 160.6° | 25.2° |
| C30 | C28 | C17 | H171 | 40.4° | 145.1° |
| C28 | C30 | C31 | H311 | 179.9° | 179.7° |
| S01 | C28 | C17 | C12 | 100.2° | 85.6° |
| S01 | C28 | C17 | H172 | 19.7° | 154.4° |
| S01 | C28 | C17 | H171 | 139.9° | 34.5° |
| S01 | C28 | C30 | H301 | 179.8° | 179.8° |
| C28 | S01 | C32 | H321 | 180.0° | 179.9° |
| C28 | C17 | C12 | H172 | 119.9° | 120.0° |
| C28 | C17 | C12 | H171 | 119.9° | 120.1° |
| C28 | C17 | C12 | N06 | 80.1° | 74.8° |
| C28 | C17 | C12 | N05 | 100.1° | 105.3° |
| C28 | C17 | H172 | H171 | 120.3° | 120.0° |
| C17 | C28 | C30 | H301 | 0.1° | 0.1° |
| C17 | C12 | N06 | N05 | 179.8° | 179.9° |
| C17 | C12 | N06 | C16 | 179.8° | 180.0° |
| C17 | C12 | N05 | C08 | 0.2° | 0.0° |
| C17 | C12 | N05 | C11 | 179.8° | 179.9° |
| C12 | C17 | H172 | H171 | 120.3° | 120.0° |
| N06 | C12 | N05 | C08 | 179.6° | 180.0° |
| N06 | C12 | N05 | C11 | 0.0° | 0.2° |
| C12 | N06 | C16 | C21 | 179.8° | 179.8° |
| C12 | N06 | C16 | C11 | 0.1° | 0.1° |
| N06 | C12 | C17 | H172 | 159.9° | 45.2° |
| N06 | C12 | C17 | H171 | 39.7° | 165.2° |
| N05 | C12 | N06 | C16 | 0.0° | 0.1° |
| C12 | N05 | C08 | C11 | 179.5° | 179.8° |
| C12 | N05 | C11 | C16 | 0.0° | 0.2° |
| C12 | N05 | C08 | C09 | 122.5° | 57.1° |
| C12 | N05 | C08 | C10 | 117.3° | 62.8° |
| C12 | N05 | C11 | C18 | 180.0° | 180.0° |
| C12 | N05 | C08 | H081 | 2.4° | 177.1° |
| N05 | C12 | C17 | H172 | 19.8° | 134.7° |
| N05 | C12 | C17 | H171 | 140.0° | 14.7° |
| N06 | C16 | C11 | N05 | 0.1° | 0.2° |
| N06 | C16 | C21 | C11 | 179.9° | 179.9° |
| N06 | C16 | C21 | C20 | 180.0° | 180.0° |
| N06 | C16 | C11 | C18 | 180.0° | 180.0° |
| N06 | C16 | C21 | H211 | 0.0° | 0.1° |
| C22 | C09 | C08 | N05 | 151.0° | 173.4° |
| C22 | C09 | C08 | H092 | 120.0° | 120.0° |
| C22 | C09 | C08 | H091 | 119.9° | 120.0° |
| C22 | C09 | C08 | C10 | 88.8° | 66.7° |
| C22 | C09 | C08 | H081 | 30.3° | 53.4° |
| C22 | C09 | H092 | H091 | 120.1° | 120.0° |
| C09 | C22 | H221 | H222 | 120.0° | 120.0° |
| C09 | C22 | H221 | H223 | 120.0° | 119.9° |
| C09 | C22 | H222 | H223 | 120.0° | 120.0° |
| C27 | C15 | C26 | C14 | 120.1° | 120.0° |
| C27 | C15 | C26 | H151 | 119.7° | 120.0° |
| C27 | C15 | C14 | H151 | 119.6° | 120.0° |
| C27 | C15 | C14 | C13 | 164.4° | 174.9° |
| C27 | C15 | C14 | H141 | 44.2° | 65.1° |
| C27 | C15 | C14 | H142 | 75.4° | 54.9° |
| C27 | C15 | C26 | H263 | 180.0° | 63.2° |
| C27 | C15 | C26 | H261 | 60.0° | 176.7° |
| C27 | C15 | C26 | H262 | 60.0° | 56.6° |
| C15 | C27 | H271 | H273 | 120.0° | 120.0° |
| C15 | C27 | H271 | H272 | 120.0° | 120.0° |
| C15 | C27 | H273 | H272 | 120.0° | 120.0° |
| C08 | N05 | C11 | C16 | 179.6° | 179.9° |
| N05 | C08 | C09 | C10 | 120.2° | 120.0° |
| N05 | C08 | C09 | H081 | 120.8° | 120.0° |
| N05 | C08 | C10 | H081 | 120.2° | 120.0° |
| C08 | N05 | C11 | C18 | 0.4° | 0.2° |
| N05 | C08 | C10 | C23 | 51.9° | 67.9° |
| N05 | C08 | C09 | H092 | 31.0° | 53.4° |
| N05 | C08 | C09 | H091 | 89.0° | 66.6° |
| N05 | C08 | C10 | H101 | 68.2° | 172.2° |
| N05 | C08 | C10 | H102 | 172.1° | 52.2° |
| N05 | C11 | C16 | C21 | 179.8° | 179.7° |
| N05 | C11 | C16 | C18 | 180.0° | 179.8° |
| C11 | N05 | C08 | C09 | 58.0° | 122.7° |
| C11 | N05 | C08 | C10 | 62.2° | 117.4° |
| N05 | C11 | C18 | C24 | 179.9° | 179.7° |
| C11 | N05 | C08 | H081 | 178.1° | 2.7° |
| N05 | C11 | C18 | H181 | 0.1° | 0.3° |
| C16 | C21 | C20 | H211 | 180.0° | 179.9° |
| C21 | C16 | C11 | C18 | 0.1° | 0.1° |
| C16 | C21 | C20 | C25 | 179.8° | 180.0° |
| C16 | C21 | C20 | C24 | 0.0° | 0.0° |
| C11 | C16 | C21 | C20 | 0.1° | 0.1° |
| C16 | C11 | C18 | C24 | 0.0° | 0.0° |
| C16 | C11 | C18 | H181 | 180.0° | 180.0° |
| C11 | C16 | C21 | H211 | 179.9° | 180.0° |
| C09 | C08 | C10 | H081 | 119.0° | 120.0° |
| C09 | C08 | C10 | C23 | 172.6° | 172.2° |
| C08 | C09 | H092 | H091 | 120.1° | 120.0° |
| C09 | C08 | C10 | H101 | 52.5° | 52.2° |
| C09 | C08 | C10 | H102 | 67.2° | 67.8° |
| C08 | C09 | C22 | H221 | 180.0° | 65.9° |
| C08 | C09 | C22 | H222 | 60.0° | 54.1° |
| C08 | C09 | C22 | H223 | 60.0° | 174.2° |
| C08 | C10 | C23 | H101 | 120.1° | 119.9° |
| C08 | C10 | C23 | H102 | 120.1° | 120.0° |
| C10 | C08 | C09 | H092 | 151.2° | 173.4° |
| C10 | C08 | C09 | H091 | 31.1° | 53.4° |
| C08 | C10 | H101 | H102 | 119.7° | 120.0° |
| C08 | C10 | C23 | H231 | 180.0° | 55.4° |
| C08 | C10 | C23 | H232 | 60.0° | 64.5° |
| C08 | C10 | C23 | H233 | 60.0° | 175.4° |
| C26 | C15 | C14 | H151 | 120.1° | 120.0° |
| C26 | C15 | C14 | C13 | 44.2° | 65.1° |
| C26 | C15 | C14 | H141 | 76.0° | 54.9° |
| C26 | C15 | C14 | H142 | 164.4° | 174.9° |
| C15 | C26 | H263 | H261 | 120.0° | 120.0° |
| C15 | C26 | H263 | H262 | 120.0° | 119.9° |
| C15 | C26 | H261 | H262 | 120.0° | 120.0° |
| C26 | C15 | C27 | H271 | 180.0° | 180.0° |
| C26 | C15 | C27 | H273 | 60.0° | 60.0° |
| C26 | C15 | C27 | H272 | 60.0° | 60.0° |
| C21 | C20 | C25 | C24 | 179.9° | 180.0° |
| C21 | C20 | C24 | C18 | 0.0° | 0.0° |
| C21 | C20 | C25 | O02 | 39.7° | 0.0° |
| C21 | C20 | C25 | N07 | 141.1° | 180.0° |
| C21 | C20 | C24 | H241 | 180.0° | 179.9° |
| C11 | C18 | C24 | C20 | 0.0° | 0.0° |
| C11 | C18 | C24 | H181 | 180.0° | 180.0° |
| C11 | C18 | C24 | H241 | 180.0° | 179.9° |
| C15 | C14 | C13 | H141 | 120.2° | 120.0° |
| C15 | C14 | C13 | H142 | 120.2° | 120.0° |
| C15 | C14 | C13 | N07 | 61.4° | 175.8° |
| C15 | C14 | C13 | C19 | 179.9° | 64.3° |
| C15 | C14 | C13 | H131 | 60.2° | 55.8° |
| C15 | C14 | H141 | H142 | 119.4° | 120.0° |
| C14 | C15 | C26 | H263 | 59.8° | 176.8° |
| C14 | C15 | C26 | H261 | 179.9° | 56.8° |
| C14 | C15 | C26 | H262 | 60.2° | 63.3° |
| C14 | C15 | C27 | H271 | 59.4° | 60.0° |
| C14 | C15 | C27 | H273 | 60.6° | 180.0° |
| C14 | C15 | C27 | H272 | 179.3° | 60.0° |
| C25 | C20 | C24 | C18 | 179.9° | 180.0° |
| C20 | C25 | O02 | N07 | 179.1° | 179.9° |
| C20 | C25 | N07 | C13 | 179.3° | 175.5° |
| C25 | C20 | C21 | H211 | 0.2° | 0.1° |
| C25 | C20 | C24 | H241 | 0.1° | 0.1° |
| C20 | C25 | N07 | H071 | 0.7° | 4.4° |
| C20 | C24 | C18 | H241 | 180.0° | 179.9° |
| C24 | C20 | C25 | O02 | 140.2° | 180.0° |
| C24 | C20 | C25 | N07 | 39.0° | 0.1° |
| C20 | C24 | C18 | H181 | 180.0° | 180.0° |
| C24 | C20 | C21 | H211 | 179.9° | 179.9° |
| C23 | C10 | C08 | H081 | 68.3° | 52.2° |
| C23 | C10 | H101 | H102 | 119.7° | 120.0° |
| C10 | C23 | H231 | H232 | 120.0° | 120.0° |
| C10 | C23 | H231 | H233 | 120.0° | 119.9° |
| C10 | C23 | H232 | H233 | 120.0° | 120.0° |
| O02 | C25 | N07 | C13 | 0.2° | 4.6° |
| O02 | C25 | N07 | H071 | 179.8° | 175.5° |
| C25 | N07 | C13 | C14 | 137.7° | 86.7° |
| C25 | N07 | C13 | H071 | 180.0° | 179.9° |
| C25 | N07 | C13 | C19 | 103.2° | 153.3° |
| C25 | N07 | C13 | H131 | 16.7° | 33.3° |
| C14 | C13 | N07 | C19 | 119.0° | 120.0° |
| C14 | C13 | N07 | H131 | 121.0° | 120.0° |
| C14 | C13 | C19 | H131 | 119.9° | 120.0° |
| C14 | C13 | C19 | C29 | 70.4° | 175.0° |
| C13 | C14 | H141 | H142 | 119.4° | 120.0° |
| C13 | C14 | C15 | H151 | 76.0° | 54.9° |
| C14 | C13 | C19 | H192 | 49.7° | 55.0° |
| C14 | C13 | C19 | H191 | 169.5° | 65.0° |
| C14 | C13 | N07 | H071 | 42.3° | 93.3° |
| N07 | C13 | C19 | H131 | 120.6° | 120.0° |
| N07 | C13 | C19 | C29 | 170.1° | 65.0° |
| N07 | C13 | C14 | H141 | 178.4° | 55.8° |
| N07 | C13 | C14 | H142 | 58.8° | 64.3° |
| N07 | C13 | C19 | H192 | 69.8° | 175.0° |
| N07 | C13 | C19 | H191 | 50.0° | 55.0° |
| C13 | C19 | C29 | H192 | 120.1° | 120.0° |
| C13 | C19 | C29 | H191 | 120.1° | 120.0° |
| C13 | C19 | C29 | O04 | 57.4° | 0.0° |
| C13 | C19 | C29 | O03 | 122.6° | 180.0° |
| C19 | C13 | C14 | H141 | 59.9° | 175.7° |
| C19 | C13 | C14 | H142 | 59.7° | 55.7° |
| C13 | C19 | H192 | H191 | 119.8° | 120.1° |
| C19 | C13 | N07 | H071 | 76.8° | 26.6° |
| C19 | C29 | O04 | O03 | 180.0° | 180.0° |
| C29 | C19 | C13 | H131 | 49.5° | 55.0° |
| C29 | C19 | H192 | H191 | 119.8° | 119.9° |
| C19 | C29 | O03 | H1 | 180.0° | 180.0° |
| O04 | C29 | C19 | H192 | 177.5° | 120.1° |
| O04 | C29 | C19 | H191 | 62.7° | 120.0° |
| O04 | C29 | O03 | H1 | 0.0° | 0.0° |
| O03 | C29 | C19 | H192 | 2.5° | 60.0° |
| O03 | C29 | C19 | H191 | 117.3° | 60.0° |
| H081 | C08 | C09 | H092 | 89.7° | 66.6° |
| H081 | C08 | C09 | H091 | 150.2° | 173.4° |
| H081 | C08 | C10 | H101 | 171.5° | 67.8° |
| H081 | C08 | C10 | H102 | 51.8° | 172.2° |
| H092 | C09 | C22 | H221 | 60.0° | 174.2° |
| H092 | C09 | C22 | H222 | 60.0° | 65.8° |
| H092 | C09 | C22 | H223 | 180.0° | 54.2° |
| H091 | C09 | C22 | H221 | 60.0° | 54.2° |
| H091 | C09 | C22 | H222 | 180.0° | 174.2° |
| H091 | C09 | C22 | H223 | 60.0° | 65.8° |
| H101 | C10 | C23 | H231 | 59.9° | 175.4° |
| H101 | C10 | C23 | H232 | 179.9° | 55.4° |
| H101 | C10 | C23 | H233 | 60.1° | 64.6° |
| H102 | C10 | C23 | H231 | 59.9° | 64.6° |
| H102 | C10 | C23 | H232 | 60.1° | 175.4° |
| H102 | C10 | C23 | H233 | 179.9° | 55.4° |
| H131 | C13 | C14 | H141 | 60.0° | 64.2° |
| H131 | C13 | C14 | H142 | 179.6° | 175.7° |
| H131 | C13 | C19 | H192 | 169.5° | 65.0° |
| H131 | C13 | C19 | H191 | 70.6° | 175.0° |
| H131 | C13 | N07 | H071 | 163.3° | 146.6° |
| H141 | C14 | C15 | H151 | 163.8° | 174.9° |
| H142 | C14 | C15 | H151 | 44.2° | 65.1° |
| H151 | C15 | C26 | H263 | 60.3° | 56.8° |
| H151 | C15 | C26 | H261 | 59.7° | 63.2° |
| H151 | C15 | C26 | H262 | 179.7° | 176.7° |
| H151 | C15 | C27 | H271 | 60.3° | 60.0° |
| H151 | C15 | C27 | H273 | 179.7° | 60.0° |
| H151 | C15 | C27 | H272 | 59.7° | 180.0° |
| H181 | C18 | C24 | H241 | 0.0° | 0.1° |
| H221 | C22 | H222 | H223 | 119.9° | 120.0° |
| H231 | C23 | H232 | H233 | 120.0° | 120.1° |
| H263 | C26 | H261 | H262 | 120.0° | 120.0° |
| H271 | C27 | H273 | H272 | 119.9° | 120.0° |
| H301 | C30 | C31 | H311 | 0.1° | 0.2° |
| H311 | C31 | C32 | H321 | 0.0° | 0.3° |
