A1A3C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C32 | O31 | sing | 1.43Å | 1.41Å | |
| O31 | C30 | sing | 1.36Å | 1.46Å | |
| O28 | C29 | sing | 1.43Å | 1.43Å | |
| O28 | C27 | sing | 1.36Å | 1.44Å | |
| C30 | C27 | doub | 1.39Å | 1.38Å | Aromatic |
| C30 | C33 | sing | 1.39Å | 1.36Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.40Å | Aromatic |
| O34 | C33 | sing | 1.36Å | 1.47Å | |
| O34 | C35 | sing | 1.43Å | 1.42Å | |
| C33 | C36 | doub | 1.38Å | 1.40Å | Aromatic |
| C26 | C25 | doub | 1.40Å | 1.40Å | Aromatic |
| C36 | C25 | sing | 1.40Å | 1.45Å | Aromatic |
| C25 | C24 | sing | 1.48Å | 1.53Å | |
| C21 | N20 | sing | 1.46Å | 1.48Å | |
| N20 | C19 | sing | 1.35Å | 1.46Å | |
| C24 | N37 | doub | 1.31Å | 1.39Å | Aromatic |
| C24 | N15 | sing | 1.37Å | 1.40Å | Aromatic |
| C16 | C23 | sing | 1.54Å | 1.56Å | |
| C16 | N15 | sing | 1.46Å | 1.48Å | |
| C16 | C17 | sing | 1.54Å | 1.56Å | |
| N37 | C13 | sing | 1.35Å | 1.45Å | Aromatic |
| C23 | C18 | sing | 1.54Å | 1.56Å | |
| N15 | C14 | sing | 1.38Å | 1.36Å | Aromatic |
| C19 | C18 | sing | 1.51Å | 1.50Å | |
| C19 | O22 | doub | 1.21Å | 1.27Å | |
| C18 | C17 | sing | 1.54Å | 1.55Å | |
| C13 | C14 | doub | 1.41Å | 1.36Å | Aromatic |
| C13 | C12 | sing | 1.40Å | 1.44Å | Aromatic |
| C14 | C38 | sing | 1.38Å | 1.46Å | Aromatic |
| C12 | C11 | doub | 1.36Å | 1.47Å | Aromatic |
| C38 | C10 | doub | 1.39Å | 1.41Å | Aromatic |
| C11 | C10 | sing | 1.40Å | 1.40Å | Aromatic |
| C10 | C02 | sing | 1.48Å | 1.57Å | |
| O01 | C02 | doub | 1.22Å | 1.26Å | |
| C02 | N03 | sing | 1.35Å | 1.45Å | |
| N03 | C04 | sing | 1.47Å | 1.46Å | |
| C04 | C05 | sing | 1.53Å | 1.59Å | |
| C05 | C06 | sing | 1.53Å | 1.58Å | |
| C06 | N07 | sing | 1.47Å | 1.52Å | |
| C08 | N07 | sing | 1.47Å | 1.53Å | |
| N07 | C09 | sing | 1.47Å | 1.49Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C35 | H353 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.08Å | 1.08Å | |
| C38 | H381 | sing | 1.08Å | 1.08Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C29 | H293 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H083 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C09 | H093 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | 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 | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C32 | H323 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| N03 | H031 | sing | 0.97Å | 1.00Å | |
| N20 | H201 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C32 | O31 | C30 | 111.4° | 117.0° |
| O31 | C32 | H323 | 109.5° | 109.4° |
| O31 | C32 | H322 | 109.5° | 109.5° |
| O31 | C32 | H321 | 109.4° | 109.5° |
| O31 | C30 | C27 | 120.3° | 120.0° |
| O31 | C30 | C33 | 119.9° | 119.9° |
| C29 | O28 | C27 | 116.4° | 117.0° |
| O28 | C29 | H291 | 109.5° | 109.5° |
| O28 | C29 | H292 | 109.4° | 109.5° |
| O28 | C29 | H293 | 109.4° | 109.5° |
| O28 | C27 | C30 | 120.9° | 119.9° |
| O28 | C27 | C26 | 117.0° | 120.0° |
| C27 | C30 | C33 | 119.9° | 120.1° |
| C30 | C27 | C26 | 122.1° | 120.1° |
| C30 | C33 | O34 | 119.6° | 120.0° |
| C30 | C33 | C36 | 121.1° | 120.0° |
| C27 | C26 | C25 | 119.1° | 119.9° |
| C27 | C26 | H261 | 120.4° | 120.0° |
| C33 | O34 | C35 | 116.8° | 117.0° |
| O34 | C33 | C36 | 119.3° | 120.0° |
| O34 | C35 | H351 | 109.5° | 109.5° |
| O34 | C35 | H352 | 109.4° | 109.5° |
| O34 | C35 | H353 | 109.5° | 109.5° |
| C33 | C36 | C25 | 119.1° | 120.0° |
| C33 | C36 | H361 | 120.5° | 120.0° |
| C26 | C25 | C36 | 118.6° | 119.9° |
| C26 | C25 | C24 | 119.3° | 120.0° |
| C25 | C26 | H261 | 120.4° | 120.0° |
| C36 | C25 | C24 | 121.9° | 120.1° |
| C25 | C36 | H361 | 120.4° | 120.0° |
| C25 | C24 | N37 | 126.2° | 125.1° |
| C25 | C24 | N15 | 126.0° | 125.1° |
| C21 | N20 | C19 | 125.9° | 120.0° |
| N20 | C21 | H213 | 109.5° | 109.4° |
| N20 | C21 | H211 | 109.5° | 109.5° |
| N20 | C21 | H212 | 109.5° | 109.5° |
| C21 | N20 | H201 | 117.1° | 120.0° |
| N20 | C19 | C18 | 128.6° | 120.0° |
| N20 | C19 | O22 | 112.8° | 120.0° |
| C19 | N20 | H201 | 117.0° | 120.0° |
| N37 | C24 | N15 | 107.7° | 109.8° |
| C24 | N37 | C13 | 105.3° | 109.8° |
| C24 | N15 | C16 | 122.1° | 126.5° |
| C24 | N15 | C14 | 109.9° | 107.0° |
| C23 | C16 | N15 | 116.1° | 113.6° |
| C23 | C16 | C17 | 88.3° | 87.1° |
| C16 | C23 | C18 | 90.5° | 87.1° |
| C23 | C16 | H161 | 112.0° | 113.6° |
| C16 | C23 | H232 | 114.0° | 113.7° |
| C16 | C23 | H231 | 114.0° | 113.6° |
| N15 | C16 | C17 | 113.3° | 113.6° |
| C16 | N15 | C14 | 128.0° | 126.5° |
| N15 | C16 | H161 | 113.1° | 112.9° |
| C16 | C17 | C18 | 91.0° | 87.1° |
| C17 | C16 | H161 | 111.8° | 113.7° |
| C16 | C17 | H172 | 113.9° | 113.6° |
| C16 | C17 | H171 | 113.9° | 113.6° |
| N37 | C13 | C14 | 108.7° | 107.2° |
| N37 | C13 | C12 | 130.0° | 133.1° |
| C23 | C18 | C19 | 115.4° | 113.7° |
| C23 | C18 | C17 | 88.5° | 87.1° |
| C23 | C18 | H181 | 111.4° | 113.7° |
| C18 | C23 | H232 | 114.0° | 113.6° |
| C18 | C23 | H231 | 114.0° | 113.6° |
| N15 | C14 | C13 | 108.4° | 106.2° |
| N15 | C14 | C38 | 128.8° | 133.8° |
| C18 | C19 | O22 | 118.7° | 120.1° |
| C19 | C18 | C17 | 115.4° | 113.6° |
| C19 | C18 | H181 | 112.3° | 112.9° |
| C18 | C17 | H172 | 113.9° | 113.6° |
| C18 | C17 | H171 | 113.8° | 113.7° |
| C17 | C18 | H181 | 111.7° | 113.6° |
| C14 | C13 | C12 | 121.3° | 119.7° |
| C13 | C14 | C38 | 122.8° | 120.0° |
| C13 | C12 | C11 | 115.9° | 120.1° |
| C13 | C12 | H121 | 122.1° | 120.0° |
| C14 | C38 | C10 | 117.1° | 119.6° |
| C14 | C38 | H381 | 121.5° | 120.2° |
| C12 | C11 | C10 | 122.3° | 120.5° |
| C12 | C11 | H111 | 118.8° | 119.7° |
| C11 | C12 | H121 | 122.0° | 120.0° |
| C38 | C10 | C11 | 120.6° | 120.2° |
| C38 | C10 | C02 | 112.1° | 119.9° |
| C10 | C38 | H381 | 121.5° | 120.2° |
| C11 | C10 | C02 | 127.3° | 119.9° |
| C10 | C11 | H111 | 118.9° | 119.8° |
| C10 | C02 | O01 | 116.0° | 120.0° |
| C10 | C02 | N03 | 134.0° | 120.0° |
| O01 | C02 | N03 | 110.0° | 120.0° |
| C02 | N03 | C04 | 130.7° | 120.0° |
| C02 | N03 | H031 | 114.7° | 120.0° |
| N03 | C04 | C05 | 108.4° | 109.5° |
| N03 | C04 | H041 | 109.7° | 109.4° |
| N03 | C04 | H042 | 109.7° | 109.5° |
| C04 | N03 | H031 | 114.6° | 120.0° |
| C04 | C05 | C06 | 112.8° | 109.5° |
| C05 | C04 | H041 | 109.7° | 109.4° |
| C05 | C04 | H042 | 109.7° | 109.5° |
| C04 | C05 | H052 | 108.6° | 109.5° |
| C04 | C05 | H051 | 108.6° | 109.5° |
| C05 | C06 | N07 | 113.8° | 109.5° |
| C06 | C05 | H052 | 108.6° | 109.4° |
| C06 | C05 | H051 | 108.7° | 109.5° |
| C05 | C06 | H062 | 108.4° | 109.4° |
| C05 | C06 | H061 | 108.4° | 109.5° |
| C06 | N07 | C08 | 110.2° | 111.0° |
| C06 | N07 | C09 | 109.4° | 111.0° |
| N07 | C06 | H062 | 108.4° | 109.5° |
| N07 | C06 | H061 | 108.4° | 109.5° |
| C08 | N07 | C09 | 108.7° | 111.0° |
| N07 | C08 | H081 | 109.5° | 109.5° |
| N07 | C08 | H083 | 109.5° | 109.4° |
| N07 | C08 | H082 | 109.5° | 109.5° |
| N07 | C09 | H093 | 109.5° | 109.5° |
| N07 | C09 | H092 | 109.5° | 109.5° |
| N07 | C09 | H091 | 109.4° | 109.5° |
| H351 | C35 | H352 | 109.5° | 109.4° |
| H351 | C35 | H353 | 109.5° | 109.5° |
| H352 | C35 | H353 | 109.5° | 109.5° |
| H291 | C29 | H292 | 109.5° | 109.5° |
| H291 | C29 | H293 | 109.5° | 109.5° |
| H292 | C29 | H293 | 109.5° | 109.5° |
| H041 | C04 | H042 | 109.5° | 109.5° |
| H052 | C05 | H051 | 109.5° | 109.5° |
| H062 | C06 | H061 | 109.5° | 109.5° |
| H081 | C08 | H083 | 109.5° | 109.5° |
| H081 | C08 | H082 | 109.4° | 109.5° |
| H083 | C08 | H082 | 109.5° | 109.4° |
| H093 | C09 | H092 | 109.5° | 109.5° |
| H093 | C09 | H091 | 109.5° | 109.5° |
| H092 | C09 | H091 | 109.4° | 109.4° |
| H172 | C17 | H171 | 109.5° | 112.9° |
| H213 | C21 | H211 | 109.5° | 109.5° |
| H213 | C21 | H212 | 109.4° | 109.5° |
| H211 | C21 | H212 | 109.5° | 109.5° |
| H232 | C23 | H231 | 109.5° | 112.9° |
| H323 | C32 | H322 | 109.5° | 109.5° |
| H323 | C32 | H321 | 109.4° | 109.4° |
| H322 | C32 | H321 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C32 | O31 | C30 | C27 | 73.9° | 90.0° |
| C32 | O31 | C30 | C33 | 105.1° | 90.8° |
| O31 | C32 | H323 | H322 | 120.0° | 120.0° |
| O31 | C32 | H323 | H321 | 120.0° | 120.0° |
| O31 | C32 | H322 | H321 | 120.0° | 120.0° |
| O31 | C30 | C27 | O28 | 0.2° | 0.5° |
| O31 | C30 | C27 | C33 | 179.0° | 179.2° |
| O31 | C30 | C27 | C26 | 179.8° | 180.0° |
| O31 | C30 | C33 | O34 | 1.0° | 0.8° |
| O31 | C30 | C33 | C36 | 179.9° | 179.7° |
| C30 | O31 | C32 | H323 | 180.0° | 180.0° |
| C30 | O31 | C32 | H322 | 60.0° | 60.0° |
| C30 | O31 | C32 | H321 | 60.0° | 60.1° |
| C29 | O28 | C27 | C30 | 170.3° | 77.3° |
| C29 | O28 | C27 | C26 | 9.7° | 103.2° |
| O28 | C29 | H291 | H292 | 120.0° | 120.0° |
| O28 | C29 | H291 | H293 | 120.0° | 120.0° |
| O28 | C29 | H292 | H293 | 120.0° | 120.0° |
| O28 | C27 | C30 | C26 | 180.0° | 179.5° |
| O28 | C27 | C30 | C33 | 178.8° | 179.7° |
| O28 | C27 | C26 | C25 | 178.4° | 179.9° |
| C27 | O28 | C29 | H291 | 180.0° | 174.7° |
| C27 | O28 | C29 | H292 | 60.0° | 65.3° |
| C27 | O28 | C29 | H293 | 60.0° | 54.7° |
| O28 | C27 | C26 | H261 | 1.6° | 0.0° |
| C27 | C30 | C33 | O34 | 180.0° | 180.0° |
| C27 | C30 | C33 | C36 | 0.9° | 0.5° |
| C30 | C27 | C26 | C25 | 1.6° | 0.5° |
| C30 | C27 | C26 | H261 | 178.4° | 179.5° |
| C33 | C30 | C27 | C26 | 1.2° | 0.7° |
| C30 | C33 | O34 | C36 | 179.1° | 179.5° |
| C30 | C33 | O34 | C35 | 168.4° | 180.0° |
| C30 | C33 | C36 | C25 | 1.1° | 0.0° |
| C30 | C33 | C36 | H361 | 179.0° | 179.7° |
| C27 | C26 | C25 | H261 | 180.0° | 180.0° |
| C27 | C26 | C25 | C36 | 1.7° | 0.0° |
| C27 | C26 | C25 | C24 | 178.2° | 180.0° |
| O34 | C33 | C36 | C25 | 179.9° | 179.5° |
| C33 | O34 | C35 | H351 | 180.0° | 60.0° |
| C33 | O34 | C35 | H352 | 60.0° | 179.9° |
| C33 | O34 | C35 | H353 | 60.0° | 60.0° |
| O34 | C33 | C36 | H361 | 0.1° | 0.2° |
| C35 | O34 | C33 | C36 | 12.5° | 0.5° |
| O34 | C35 | H351 | H352 | 120.0° | 120.0° |
| O34 | C35 | H351 | H353 | 120.0° | 120.0° |
| O34 | C35 | H352 | H353 | 120.0° | 120.0° |
| C33 | C36 | C25 | C26 | 1.4° | 0.2° |
| C33 | C36 | C25 | H361 | 180.0° | 179.7° |
| C33 | C36 | C25 | C24 | 177.8° | 179.7° |
| C26 | C25 | C36 | C24 | 176.4° | 179.9° |
| C26 | C25 | C24 | N37 | 44.8° | 105.0° |
| C26 | C25 | C24 | N15 | 131.3° | 76.0° |
| C26 | C25 | C36 | H361 | 178.6° | 179.9° |
| C36 | C25 | C24 | N37 | 138.8° | 74.9° |
| C36 | C25 | C24 | N15 | 45.1° | 104.1° |
| C36 | C25 | C26 | H261 | 178.3° | 180.0° |
| C25 | C24 | N37 | N15 | 176.7° | 179.1° |
| C25 | C24 | N15 | C16 | 2.5° | 0.4° |
| C25 | C24 | N37 | C13 | 178.1° | 180.0° |
| C25 | C24 | N15 | C14 | 178.1° | 179.6° |
| C24 | C25 | C36 | H361 | 2.2° | 0.0° |
| C24 | C25 | C26 | H261 | 1.8° | 0.1° |
| C21 | N20 | C19 | H201 | 180.0° | 180.0° |
| C21 | N20 | C19 | C18 | 1.0° | 180.0° |
| C21 | N20 | C19 | O22 | 178.7° | 0.0° |
| N20 | C21 | H213 | H211 | 120.0° | 120.0° |
| N20 | C21 | H213 | H212 | 120.0° | 120.0° |
| N20 | C21 | H211 | H212 | 120.0° | 120.0° |
| N20 | C19 | C18 | C23 | 56.9° | 82.5° |
| N20 | C19 | C18 | O22 | 179.8° | 180.0° |
| N20 | C19 | C18 | C17 | 44.3° | 180.0° |
| N20 | C19 | C18 | H181 | 173.9° | 48.8° |
| C19 | N20 | C21 | H213 | 180.0° | 60.0° |
| C19 | N20 | C21 | H211 | 60.0° | 60.0° |
| C19 | N20 | C21 | H212 | 60.0° | 180.0° |
| N37 | C24 | N15 | C16 | 179.2° | 179.5° |
| N37 | C24 | N15 | C14 | 1.4° | 0.5° |
| C24 | N37 | C13 | C14 | 1.1° | 0.9° |
| C24 | N37 | C13 | C12 | 179.6° | 179.7° |
| C24 | N15 | C16 | C23 | 136.9° | 60.9° |
| C24 | N15 | C16 | C14 | 179.3° | 180.0° |
| C24 | N15 | C16 | C17 | 123.1° | 36.7° |
| N15 | C24 | N37 | C13 | 1.5° | 0.9° |
| C24 | N15 | C14 | C13 | 0.7° | 0.0° |
| C24 | N15 | C14 | C38 | 179.2° | 179.4° |
| C24 | N15 | C16 | H161 | 5.4° | 168.0° |
| C23 | C16 | N15 | C17 | 100.0° | 97.5° |
| C23 | C16 | N15 | H161 | 131.4° | 131.2° |
| C23 | C16 | C17 | H161 | 113.0° | 114.5° |
| C16 | C23 | C18 | H232 | 116.7° | 114.6° |
| C16 | C23 | C18 | H231 | 116.7° | 114.6° |
| C23 | C16 | N15 | C14 | 43.9° | 119.2° |
| C16 | C23 | C18 | C19 | 107.7° | 89.1° |
| C23 | C16 | C17 | C18 | 9.8° | 25.4° |
| C23 | C16 | C17 | H172 | 106.9° | 89.1° |
| C23 | C16 | C17 | H171 | 126.6° | 140.0° |
| C16 | C23 | C18 | H181 | 122.6° | 140.0° |
| C16 | C23 | H232 | H231 | 129.0° | 131.3° |
| N15 | C16 | C17 | H161 | 129.2° | 130.9° |
| N15 | C16 | C23 | C18 | 124.9° | 140.0° |
| N15 | C16 | C17 | C18 | 127.6° | 140.0° |
| C16 | N15 | C14 | C13 | 180.0° | 180.0° |
| C16 | N15 | C14 | C38 | 0.2° | 0.7° |
| N15 | C16 | C17 | H172 | 10.9° | 25.5° |
| N15 | C16 | C17 | H171 | 115.6° | 105.4° |
| N15 | C16 | C23 | H232 | 118.5° | 105.4° |
| N15 | C16 | C23 | H231 | 8.2° | 25.5° |
| C17 | C16 | N15 | C14 | 56.2° | 143.3° |
| C16 | C17 | C18 | C19 | 107.8° | 89.2° |
| C16 | C17 | C18 | H172 | 116.8° | 114.5° |
| C16 | C17 | C18 | H171 | 116.8° | 114.6° |
| C16 | C17 | H172 | H171 | 128.8° | 131.3° |
| C16 | C17 | C18 | H181 | 122.3° | 140.0° |
| C17 | C16 | C23 | H232 | 126.4° | 140.0° |
| C17 | C16 | C23 | H231 | 107.0° | 89.1° |
| N37 | C13 | C14 | N15 | 0.2° | 0.6° |
| N37 | C13 | C14 | C12 | 179.4° | 179.5° |
| N37 | C13 | C14 | C38 | 179.9° | 180.0° |
| N37 | C13 | C12 | C11 | 179.9° | 179.5° |
| N37 | C13 | C12 | H121 | 0.1° | 0.4° |
| C23 | C18 | C19 | C17 | 101.2° | 97.5° |
| C23 | C18 | C19 | H181 | 129.2° | 131.4° |
| C23 | C18 | C19 | O22 | 122.9° | 97.5° |
| C23 | C18 | C17 | H181 | 112.5° | 114.6° |
| C18 | C23 | C16 | H161 | 103.2° | 89.2° |
| C23 | C18 | C17 | H172 | 107.0° | 89.1° |
| C23 | C18 | C17 | H171 | 126.6° | 140.0° |
| C18 | C23 | H232 | H231 | 129.0° | 131.1° |
| N15 | C14 | C13 | C38 | 179.9° | 179.4° |
| N15 | C14 | C13 | C12 | 179.6° | 180.0° |
| N15 | C14 | C38 | C10 | 179.4° | 179.8° |
| N15 | C14 | C38 | H381 | 0.6° | 0.5° |
| C14 | N15 | C16 | H161 | 175.3° | 12.0° |
| C19 | C18 | C17 | H181 | 129.9° | 130.8° |
| C19 | C18 | C17 | H172 | 135.4° | 156.3° |
| C19 | C18 | C17 | H171 | 9.0° | 25.4° |
| C19 | C18 | C23 | H232 | 8.9° | 25.5° |
| C19 | C18 | C23 | H231 | 135.6° | 156.3° |
| C18 | C19 | N20 | H201 | 179.0° | 0.0° |
| O22 | C19 | C18 | C17 | 135.9° | 0.0° |
| O22 | C19 | C18 | H181 | 6.3° | 131.1° |
| O22 | C19 | N20 | H201 | 1.2° | 180.0° |
| C18 | C17 | C16 | H161 | 103.2° | 89.1° |
| C18 | C17 | H172 | H171 | 128.7° | 131.3° |
| C17 | C18 | C23 | H232 | 126.5° | 140.0° |
| C17 | C18 | C23 | H231 | 106.9° | 89.2° |
| C14 | C13 | C12 | C11 | 0.6° | 0.2° |
| C13 | C14 | C38 | C10 | 0.4° | 0.5° |
| C13 | C14 | C38 | H381 | 179.6° | 179.8° |
| C14 | C13 | C12 | H121 | 179.4° | 179.7° |
| C12 | C13 | C14 | C38 | 0.5° | 0.5° |
| C13 | C12 | C11 | H121 | 180.0° | 179.9° |
| C13 | C12 | C11 | C10 | 0.1° | 0.1° |
| C13 | C12 | C11 | H111 | 179.9° | 180.0° |
| C14 | C38 | C10 | H381 | 180.0° | 179.7° |
| C14 | C38 | C10 | C11 | 1.2° | 0.2° |
| C14 | C38 | C10 | C02 | 179.2° | 179.7° |
| C12 | C11 | C10 | C38 | 1.0° | 0.1° |
| C12 | C11 | C10 | H111 | 180.0° | 179.9° |
| C12 | C11 | C10 | C02 | 178.8° | 180.0° |
| C38 | C10 | C11 | C02 | 177.7° | 179.9° |
| C38 | C10 | C02 | O01 | 3.8° | 0.0° |
| C38 | C10 | C02 | N03 | 173.7° | 180.0° |
| C38 | C10 | C11 | H111 | 178.9° | 180.0° |
| C11 | C10 | C02 | O01 | 178.4° | 179.9° |
| C11 | C10 | C02 | N03 | 4.2° | 0.1° |
| C11 | C10 | C38 | H381 | 178.8° | 179.9° |
| C10 | C11 | C12 | H121 | 179.9° | 180.0° |
| C10 | C02 | O01 | N03 | 178.1° | 180.0° |
| C10 | C02 | N03 | C04 | 3.3° | 179.9° |
| C02 | C10 | C38 | H381 | 0.8° | 0.0° |
| C02 | C10 | C11 | H111 | 1.2° | 0.1° |
| C10 | C02 | N03 | H031 | 176.7° | 0.0° |
| O01 | C02 | N03 | C04 | 179.1° | 0.0° |
| O01 | C02 | N03 | H031 | 0.9° | 180.0° |
| C02 | N03 | C04 | H031 | 180.0° | 179.9° |
| C02 | N03 | C04 | C05 | 134.1° | 180.0° |
| C02 | N03 | C04 | H041 | 106.1° | 60.0° |
| C02 | N03 | C04 | H042 | 14.3° | 60.0° |
| N03 | C04 | C05 | H041 | 119.8° | 119.9° |
| N03 | C04 | C05 | H042 | 119.9° | 120.1° |
| N03 | C04 | C05 | C06 | 41.8° | 180.0° |
| N03 | C04 | H041 | H042 | 120.5° | 120.0° |
| N03 | C04 | C05 | H052 | 78.7° | 60.0° |
| N03 | C04 | C05 | H051 | 162.3° | 60.0° |
| C04 | C05 | C06 | H052 | 120.5° | 120.0° |
| C04 | C05 | C06 | H051 | 120.5° | 120.0° |
| C04 | C05 | C06 | N07 | 95.7° | 180.0° |
| C05 | C04 | H041 | H042 | 120.5° | 120.0° |
| C04 | C05 | H052 | H051 | 118.5° | 120.0° |
| C04 | C05 | C06 | H062 | 143.7° | 60.0° |
| C04 | C05 | C06 | H061 | 25.0° | 60.0° |
| C05 | C04 | N03 | H031 | 45.9° | 0.1° |
| C05 | C06 | N07 | H062 | 120.6° | 120.0° |
| C05 | C06 | N07 | H061 | 120.6° | 120.0° |
| C05 | C06 | N07 | C08 | 145.0° | 170.0° |
| C05 | C06 | N07 | C09 | 95.6° | 66.1° |
| C06 | C05 | C04 | H041 | 161.6° | 60.0° |
| C06 | C05 | C04 | H042 | 78.1° | 60.0° |
| C06 | C05 | H052 | H051 | 118.5° | 120.0° |
| C05 | C06 | H062 | H061 | 118.0° | 120.0° |
| C06 | N07 | C08 | C09 | 119.9° | 123.9° |
| N07 | C06 | C05 | H052 | 24.8° | 60.0° |
| N07 | C06 | C05 | H051 | 143.9° | 60.0° |
| N07 | C06 | H062 | H061 | 118.0° | 120.0° |
| C06 | N07 | C08 | H081 | 180.0° | 60.0° |
| C06 | N07 | C08 | H083 | 60.0° | 180.0° |
| C06 | N07 | C08 | H082 | 60.0° | 60.1° |
| C06 | N07 | C09 | H093 | 180.0° | 60.0° |
| C06 | N07 | C09 | H092 | 60.0° | 180.0° |
| C06 | N07 | C09 | H091 | 60.0° | 60.0° |
| C08 | N07 | C06 | H062 | 94.4° | 50.0° |
| C08 | N07 | C06 | H061 | 24.4° | 70.0° |
| N07 | C08 | H081 | H083 | 120.0° | 120.0° |
| N07 | C08 | H081 | H082 | 120.0° | 120.0° |
| N07 | C08 | H083 | H082 | 120.0° | 119.9° |
| C08 | N07 | C09 | H093 | 59.6° | 176.1° |
| C08 | N07 | C09 | H092 | 179.6° | 56.1° |
| C08 | N07 | C09 | H091 | 60.4° | 63.9° |
| C09 | N07 | C06 | H062 | 25.1° | 174.0° |
| C09 | N07 | C06 | H061 | 143.8° | 53.9° |
| C09 | N07 | C08 | H081 | 60.1° | 63.9° |
| C09 | N07 | C08 | H083 | 59.9° | 56.1° |
| C09 | N07 | C08 | H082 | 179.9° | 176.0° |
| N07 | C09 | H093 | H092 | 120.0° | 120.0° |
| N07 | C09 | H093 | H091 | 120.0° | 120.0° |
| N07 | C09 | H092 | H091 | 120.0° | 120.0° |
| H351 | C35 | H352 | H353 | 120.0° | 120.0° |
| H291 | C29 | H292 | H293 | 120.0° | 120.0° |
| H041 | C04 | C05 | H052 | 41.1° | 60.0° |
| H041 | C04 | C05 | H051 | 77.9° | 180.0° |
| H041 | C04 | N03 | H031 | 73.9° | 120.0° |
| H042 | C04 | C05 | H052 | 161.4° | 180.0° |
| H042 | C04 | C05 | H051 | 42.4° | 60.0° |
| H042 | C04 | N03 | H031 | 165.7° | 120.0° |
| H052 | C05 | C06 | H062 | 95.8° | 180.0° |
| H052 | C05 | C06 | H061 | 145.5° | 60.0° |
| H051 | C05 | C06 | H062 | 23.2° | 60.0° |
| H051 | C05 | C06 | H061 | 95.5° | NaN° |
| H081 | C08 | H083 | H082 | 120.0° | 120.0° |
| H093 | C09 | H092 | H091 | 120.0° | 120.0° |
| H111 | C11 | C12 | H121 | 0.1° | 0.1° |
| H161 | C16 | C17 | H172 | 140.0° | 156.4° |
| H161 | C16 | C17 | H171 | 13.6° | 25.5° |
| H161 | C16 | C23 | H232 | 13.5° | 25.4° |
| H161 | C16 | C23 | H231 | 140.1° | 156.3° |
| H172 | C17 | C18 | H181 | 5.5° | 25.5° |
| H171 | C17 | C18 | H181 | 120.9° | 105.4° |
| H181 | C18 | C23 | H232 | 120.7° | 105.4° |
| H181 | C18 | C23 | H231 | 5.9° | 25.4° |
| H213 | C21 | H211 | H212 | 119.9° | 120.0° |
| H213 | C21 | N20 | H201 | 0.0° | 120.0° |
| H211 | C21 | N20 | H201 | 120.0° | 120.0° |
| H212 | C21 | N20 | H201 | 120.0° | 0.0° |
| H323 | C32 | H322 | H321 | 120.0° | 120.0° |
