A1I08
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | O01 | doub | 1.22Å | 1.20Å | |
| C03 | C02 | sing | 1.41Å | 1.50Å | |
| C05 | N04 | doub | 1.30Å | 1.33Å | Aromatic |
| N06 | C05 | sing | 1.36Å | 1.33Å | Aromatic |
| C07 | N06 | sing | 1.47Å | 1.41Å | |
| C08 | C07 | sing | 1.54Å | 1.65Å | |
| O09 | C08 | sing | 1.43Å | 1.46Å | |
| C10 | C08 | sing | 1.54Å | 1.26Å | |
| C12 | O11 | sing | 1.35Å | 1.44Å | |
| C14 | N13 | sing | 1.47Å | 1.52Å | |
| C15 | C14 | sing | 1.53Å | 1.56Å | |
| C16 | C15 | sing | 1.53Å | 1.47Å | |
| C17 | C16 | sing | 1.53Å | 1.47Å | |
| C19 | N18 | sing | 1.35Å | 1.46Å | |
| C21 | C20 | sing | 1.53Å | 1.57Å | |
| C20 | C19 | sing | 1.51Å | 1.52Å | |
| O22 | C19 | doub | 1.21Å | 1.16Å | |
| N18 | C17 | sing | 1.46Å | 1.52Å | |
| C23 | C17 | sing | 1.53Å | 1.53Å | |
| N13 | C12 | sing | 1.35Å | 1.49Å | |
| O24 | C12 | doub | 1.21Å | 1.19Å | |
| O11 | C10 | sing | 1.45Å | 1.53Å | |
| C25 | C10 | sing | 1.54Å | 1.60Å | |
| O27 | C26 | sing | 1.43Å | 1.41Å | |
| P28 | O27 | sing | 1.61Å | 1.62Å | |
| P30 | O29 | sing | 1.61Å | 1.59Å | |
| O31 | P30 | sing | 1.61Å | 1.51Å | |
| O32 | P30 | doub | 1.48Å | 1.50Å | |
| O33 | P30 | sing | 1.61Å | 1.54Å | |
| O29 | P28 | sing | 1.61Å | 1.65Å | |
| O34 | P28 | sing | 1.61Å | 1.53Å | |
| O35 | P28 | doub | 1.48Å | 1.52Å | |
| C26 | C25 | sing | 1.53Å | 1.41Å | |
| O36 | C25 | sing | 1.44Å | 1.52Å | |
| N04 | C03 | sing | 1.36Å | 1.37Å | Aromatic |
| C37 | C03 | doub | 1.40Å | 1.36Å | Aromatic |
| N38 | C37 | sing | 1.34Å | 1.47Å | |
| C39 | N38 | doub | 1.31Å | 1.42Å | |
| N40 | C39 | sing | 1.37Å | 1.42Å | |
| N41 | C39 | sing | 1.36Å | 1.43Å | |
| C02 | N41 | sing | 1.35Å | 1.42Å | |
| N06 | C37 | sing | 1.37Å | 1.34Å | Aromatic |
| C07 | O36 | sing | 1.44Å | 1.31Å | |
| N13 | C23 | sing | 1.47Å | 1.49Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H213 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| N18 | H181 | sing | 0.97Å | 1.00Å | |
| N40 | H402 | sing | 0.97Å | 1.00Å | |
| N40 | H401 | sing | 0.97Å | 1.00Å | |
| N41 | H411 | sing | 0.97Å | 1.00Å | |
| O09 | H091 | sing | 0.97Å | 0.95Å | |
| O31 | H1 | sing | 0.97Å | 0.95Å | |
| O33 | H2 | sing | 0.97Å | 0.95Å | |
| O34 | H3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | C03 | 122.8° | 120.9° |
| O01 | C02 | N41 | 118.6° | 120.8° |
| C02 | C03 | N04 | 133.8° | 134.1° |
| C02 | C03 | C37 | 120.0° | 118.6° |
| C03 | C02 | N41 | 118.5° | 118.3° |
| N04 | C05 | N06 | 108.8° | 109.8° |
| C05 | N04 | C03 | 108.4° | 109.4° |
| N04 | C05 | H051 | 125.6° | 125.1° |
| C05 | N06 | C07 | 126.8° | 126.2° |
| C05 | N06 | C37 | 108.6° | 107.5° |
| N06 | C05 | H051 | 125.6° | 125.1° |
| N06 | C07 | C08 | 115.4° | 110.4° |
| C07 | N06 | C37 | 124.3° | 126.2° |
| N06 | C07 | O36 | 107.1° | 110.4° |
| N06 | C07 | H071 | 109.9° | 110.3° |
| C07 | C08 | O09 | 102.8° | 110.5° |
| C07 | C08 | C10 | 103.9° | 104.1° |
| C08 | C07 | O36 | 105.9° | 104.8° |
| C08 | C07 | H071 | 107.0° | 110.5° |
| C07 | C08 | H081 | 108.4° | 110.5° |
| O09 | C08 | C10 | 115.3° | 110.5° |
| O09 | C08 | H081 | 110.9° | 110.5° |
| C08 | O09 | H091 | 109.5° | 114.1° |
| C08 | C10 | O11 | 109.4° | 110.5° |
| C08 | C10 | C25 | 105.8° | 104.1° |
| C08 | C10 | H101 | 116.4° | 110.5° |
| C10 | C08 | H081 | 114.4° | 110.5° |
| O11 | C12 | N13 | 118.2° | 120.0° |
| O11 | C12 | O24 | 121.8° | 120.0° |
| C12 | O11 | C10 | 117.1° | 117.0° |
| N13 | C14 | C15 | 115.4° | 108.8° |
| C14 | N13 | C12 | 113.8° | 120.7° |
| C14 | N13 | C23 | 111.6° | 118.7° |
| N13 | C14 | H141 | 108.0° | 109.6° |
| N13 | C14 | H142 | 108.0° | 109.6° |
| C14 | C15 | C16 | 114.7° | 109.3° |
| C14 | C15 | H151 | 108.1° | 109.5° |
| C14 | C15 | H152 | 108.1° | 109.5° |
| C15 | C14 | H141 | 108.0° | 109.6° |
| C15 | C14 | H142 | 107.9° | 109.6° |
| C15 | C16 | C17 | 105.7° | 109.6° |
| C16 | C15 | H151 | 108.1° | 109.5° |
| C16 | C15 | H152 | 108.1° | 109.5° |
| C15 | C16 | H161 | 110.4° | 109.5° |
| C15 | C16 | H162 | 110.4° | 109.4° |
| C16 | C17 | N18 | 117.3° | 109.5° |
| C16 | C17 | C23 | 107.6° | 109.3° |
| C16 | C17 | H171 | 104.4° | 109.5° |
| C17 | C16 | H161 | 110.4° | 109.5° |
| C17 | C16 | H162 | 110.4° | 109.5° |
| N18 | C19 | C20 | 119.4° | 120.0° |
| N18 | C19 | O22 | 120.5° | 120.0° |
| C19 | N18 | C17 | 126.2° | 120.0° |
| C19 | N18 | H181 | 116.9° | 120.0° |
| C21 | C20 | C19 | 113.9° | 109.5° |
| C21 | C20 | H201 | 108.4° | 109.5° |
| C21 | C20 | H202 | 108.4° | 109.5° |
| C20 | C21 | H212 | 109.5° | 109.4° |
| C20 | C21 | H213 | 109.4° | 109.5° |
| C20 | C21 | H211 | 109.5° | 109.5° |
| C20 | C19 | O22 | 120.0° | 120.0° |
| C19 | C20 | H201 | 108.3° | 109.4° |
| C19 | C20 | H202 | 108.3° | 109.5° |
| N18 | C17 | C23 | 118.1° | 109.5° |
| N18 | C17 | H171 | 103.8° | 109.5° |
| C17 | N18 | H181 | 116.9° | 120.0° |
| C17 | C23 | N13 | 105.9° | 108.8° |
| C23 | C17 | H171 | 103.7° | 109.5° |
| C17 | C23 | H231 | 110.4° | 109.6° |
| C17 | C23 | H232 | 110.4° | 109.6° |
| N13 | C12 | O24 | 120.0° | 120.0° |
| C12 | N13 | C23 | 109.1° | 120.6° |
| O11 | C10 | C25 | 102.1° | 110.6° |
| O11 | C10 | H101 | 111.5° | 110.4° |
| C10 | C25 | C26 | 117.3° | 110.4° |
| C10 | C25 | O36 | 101.2° | 104.8° |
| C25 | C10 | H101 | 110.5° | 110.5° |
| C10 | C25 | H251 | 106.9° | 110.4° |
| C26 | O27 | P28 | 116.6° | 123.0° |
| O27 | C26 | C25 | 111.3° | 109.5° |
| O27 | C26 | H261 | 109.0° | 109.5° |
| O27 | C26 | H262 | 109.0° | 109.5° |
| O27 | P28 | O29 | 104.4° | 109.5° |
| O27 | P28 | O34 | 105.9° | 109.5° |
| O27 | P28 | O35 | 118.1° | 109.5° |
| O29 | P30 | O31 | 105.8° | 109.5° |
| O29 | P30 | O32 | 104.6° | 109.5° |
| O29 | P30 | O33 | 107.5° | 109.5° |
| P30 | O29 | P28 | 128.2° | 134.0° |
| O31 | P30 | O32 | 114.1° | 109.5° |
| O31 | P30 | O33 | 112.1° | 109.4° |
| P30 | O31 | H1 | 109.5° | 114.0° |
| O32 | P30 | O33 | 111.9° | 109.5° |
| P30 | O33 | H2 | 109.5° | 114.0° |
| O29 | P28 | O34 | 106.6° | 109.5° |
| O29 | P28 | O35 | 106.0° | 109.5° |
| O34 | P28 | O35 | 114.8° | 109.5° |
| P28 | O34 | H3 | 109.5° | 114.0° |
| C26 | C25 | O36 | 113.6° | 110.3° |
| C25 | C26 | H261 | 109.0° | 109.4° |
| C25 | C26 | H262 | 109.0° | 109.5° |
| C26 | C25 | H251 | 109.3° | 110.3° |
| C25 | O36 | C07 | 109.2° | 105.3° |
| O36 | C25 | H251 | 107.8° | 110.4° |
| N04 | C03 | C37 | 106.2° | 107.2° |
| C03 | C37 | N38 | 121.5° | 119.7° |
| C03 | C37 | N06 | 108.1° | 106.1° |
| C37 | N38 | C39 | 118.5° | 121.2° |
| N38 | C37 | N06 | 130.3° | 134.3° |
| N38 | C39 | N40 | 121.0° | 119.1° |
| N38 | C39 | N41 | 121.1° | 121.9° |
| N40 | C39 | N41 | 117.9° | 119.0° |
| C39 | N40 | H402 | 120.0° | 120.0° |
| C39 | N40 | H401 | 120.0° | 120.0° |
| C39 | N41 | C02 | 120.2° | 120.3° |
| C39 | N41 | H411 | 119.8° | 119.8° |
| C02 | N41 | H411 | 119.9° | 119.8° |
| O36 | C07 | H071 | 111.4° | 110.4° |
| N13 | C23 | H231 | 110.4° | 109.6° |
| N13 | C23 | H232 | 110.4° | 109.7° |
| H151 | C15 | H152 | 109.5° | 109.5° |
| H201 | C20 | H202 | 109.5° | 109.5° |
| H212 | C21 | H213 | 109.5° | 109.5° |
| H212 | C21 | H211 | 109.5° | 109.5° |
| H213 | C21 | H211 | 109.5° | 109.4° |
| H261 | C26 | H262 | 109.5° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.7° |
| H161 | C16 | H162 | 109.5° | 109.4° |
| H231 | C23 | H232 | 109.5° | 109.6° |
| H402 | N40 | H401 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | C03 | N41 | 179.2° | 179.6° |
| O01 | C02 | C03 | N04 | 1.6° | 0.1° |
| O01 | C02 | C03 | C37 | 178.3° | 179.9° |
| O01 | C02 | N41 | C39 | 179.1° | 179.7° |
| O01 | C02 | N41 | H411 | 0.9° | 0.1° |
| C02 | C03 | N04 | C05 | 177.3° | 180.0° |
| C02 | C03 | N04 | C37 | 177.1° | 180.0° |
| C02 | C03 | C37 | N38 | 1.7° | 0.1° |
| C03 | C02 | N41 | C39 | 1.7° | 0.7° |
| C02 | C03 | C37 | N06 | 179.2° | 180.0° |
| C03 | C02 | N41 | H411 | 178.3° | 179.8° |
| N04 | C05 | N06 | H051 | 180.0° | 179.9° |
| N04 | C05 | N06 | C07 | 175.5° | 180.0° |
| C05 | N04 | C03 | C37 | 0.3° | 0.1° |
| N04 | C05 | N06 | C37 | 2.2° | 0.0° |
| C05 | N06 | C07 | C37 | 172.3° | 180.0° |
| C05 | N06 | C07 | C08 | 58.0° | 91.8° |
| N06 | C05 | N04 | C03 | 1.2° | 0.1° |
| C05 | N06 | C37 | C03 | 2.4° | 0.0° |
| C05 | N06 | C37 | N38 | 178.7° | 179.9° |
| C05 | N06 | C07 | O36 | 59.7° | 23.5° |
| C05 | N06 | C07 | H071 | 179.1° | 145.8° |
| N06 | C07 | C08 | O36 | 118.4° | 118.8° |
| N06 | C07 | C08 | H071 | 122.7° | 122.3° |
| N06 | C07 | C08 | O09 | 88.5° | 98.5° |
| N06 | C07 | C08 | C10 | 150.9° | 142.8° |
| N06 | C07 | O36 | C25 | 134.3° | 159.3° |
| C07 | N06 | C37 | C03 | 175.9° | 180.0° |
| C07 | N06 | C37 | N38 | 5.1° | 0.1° |
| N06 | C07 | O36 | H071 | 120.3° | 122.2° |
| C07 | N06 | C05 | H051 | 4.5° | 0.1° |
| N06 | C07 | C08 | H081 | 29.0° | 24.2° |
| C07 | C08 | O09 | C10 | 112.3° | 114.6° |
| C07 | C08 | O09 | H081 | 115.7° | 122.7° |
| C07 | C08 | C10 | H081 | 118.0° | 118.7° |
| C07 | C08 | C10 | O11 | 72.3° | 118.8° |
| C07 | C08 | C10 | C25 | 37.0° | 0.0° |
| C08 | C07 | O36 | C25 | 10.6° | 40.5° |
| C08 | C07 | N06 | C37 | 129.6° | 88.1° |
| C08 | C07 | O36 | H071 | 116.0° | 119.0° |
| C07 | C08 | C10 | H101 | 160.2° | 118.6° |
| C07 | C08 | O09 | H091 | 180.0° | 65.3° |
| O09 | C08 | C10 | H081 | 130.3° | 122.7° |
| O09 | C08 | C10 | O11 | 39.4° | 0.1° |
| O09 | C08 | C10 | C25 | 148.7° | 118.7° |
| O09 | C08 | C07 | O36 | 153.1° | 142.7° |
| O09 | C08 | C10 | H101 | 88.1° | 122.7° |
| O09 | C08 | C07 | H071 | 34.1° | 23.8° |
| C08 | C10 | O11 | C12 | 109.8° | 91.5° |
| C08 | C10 | O11 | C25 | 111.7° | 114.7° |
| C08 | C10 | O11 | H101 | 130.2° | 122.6° |
| C08 | C10 | C25 | H101 | 126.9° | 118.7° |
| C08 | C10 | C25 | C26 | 92.5° | 142.8° |
| C08 | C10 | C25 | O36 | 31.7° | 24.0° |
| C10 | C08 | C07 | O36 | 32.6° | 24.0° |
| C10 | C08 | C07 | H071 | 86.4° | 94.9° |
| C08 | C10 | C25 | H251 | 144.4° | 94.9° |
| C10 | C08 | O09 | H091 | 67.7° | 180.0° |
| O11 | C12 | N13 | C14 | 163.0° | 0.1° |
| O11 | C12 | N13 | O24 | 177.9° | 179.9° |
| C12 | O11 | C10 | C25 | 138.5° | 153.8° |
| O11 | C12 | N13 | C23 | 37.6° | 180.0° |
| C12 | O11 | C10 | H101 | 20.4° | 31.2° |
| N13 | C14 | C15 | H141 | 120.9° | 119.7° |
| N13 | C14 | C15 | H142 | 120.9° | 119.8° |
| N13 | C14 | C15 | C16 | 40.3° | 54.6° |
| C14 | N13 | C23 | C17 | 22.1° | 53.6° |
| C14 | N13 | C12 | C23 | 125.4° | 180.0° |
| C14 | N13 | C12 | O24 | 15.0° | 180.0° |
| N13 | C14 | C15 | H151 | 80.5° | 174.6° |
| N13 | C14 | C15 | H152 | 161.1° | 65.3° |
| N13 | C14 | H141 | H142 | 117.3° | 120.4° |
| C14 | N13 | C23 | H231 | 97.4° | 66.1° |
| C14 | N13 | C23 | H232 | 141.5° | 173.5° |
| C14 | C15 | C16 | H151 | 120.8° | 119.9° |
| C14 | C15 | C16 | H152 | 120.8° | 119.9° |
| C14 | C15 | C16 | C17 | 10.3° | 61.4° |
| C15 | C14 | N13 | C12 | 155.7° | 126.4° |
| C15 | C14 | N13 | C23 | 31.6° | 53.6° |
| C14 | C15 | H151 | H152 | 117.6° | 120.1° |
| C15 | C14 | H141 | H142 | 117.3° | 120.4° |
| C14 | C15 | C16 | H161 | 109.1° | 58.7° |
| C14 | C15 | C16 | H162 | 129.8° | 178.6° |
| C15 | C16 | C17 | H161 | 119.4° | 120.1° |
| C15 | C16 | C17 | H162 | 119.4° | 120.0° |
| C15 | C16 | C17 | N18 | 154.7° | 178.6° |
| C15 | C16 | C17 | C23 | 69.3° | 61.4° |
| C16 | C15 | H151 | H152 | 117.6° | 120.1° |
| C15 | C16 | C17 | H171 | 40.5° | 58.5° |
| C16 | C15 | C14 | H141 | 161.2° | 174.4° |
| C16 | C15 | C14 | H142 | 80.6° | 65.2° |
| C15 | C16 | H161 | H162 | 121.7° | 119.9° |
| C16 | C17 | N18 | C19 | 146.0° | 155.0° |
| C16 | C17 | N18 | C23 | 131.4° | 119.9° |
| C16 | C17 | N18 | H171 | 114.5° | 120.1° |
| C16 | C17 | C23 | H171 | 110.2° | 119.9° |
| C16 | C17 | C23 | N13 | 78.1° | 54.6° |
| C17 | C16 | C15 | H151 | 131.1° | 178.7° |
| C17 | C16 | C15 | H152 | 110.4° | 58.5° |
| C17 | C16 | H161 | H162 | 121.8° | 120.0° |
| C16 | C17 | C23 | H231 | 41.3° | 65.2° |
| C16 | C17 | C23 | H232 | 162.4° | 174.5° |
| C16 | C17 | N18 | H181 | 33.9° | 25.0° |
| N18 | C19 | C20 | C21 | 117.6° | 180.0° |
| N18 | C19 | C20 | O22 | 176.3° | 179.9° |
| C19 | N18 | C17 | H181 | 180.0° | 179.9° |
| C19 | N18 | C17 | C23 | 14.7° | 85.1° |
| C19 | N18 | C17 | H171 | 99.5° | 35.0° |
| N18 | C19 | C20 | H201 | 3.1° | 60.0° |
| N18 | C19 | C20 | H202 | 121.8° | 60.1° |
| C21 | C20 | C19 | H201 | 120.7° | 120.0° |
| C21 | C20 | C19 | H202 | 120.7° | 120.0° |
| C21 | C20 | C19 | O22 | 66.1° | 0.0° |
| C21 | C20 | H201 | H202 | 118.0° | 120.0° |
| C20 | C21 | H212 | H213 | 120.0° | 120.0° |
| C20 | C21 | H212 | H211 | 120.0° | 120.0° |
| C20 | C21 | H213 | H211 | 120.0° | 120.0° |
| C20 | C19 | N18 | C17 | 178.6° | 180.0° |
| C19 | C20 | H201 | H202 | 117.9° | 120.0° |
| C19 | C20 | C21 | H212 | 180.0° | 180.0° |
| C19 | C20 | C21 | H213 | 60.0° | 60.0° |
| C19 | C20 | C21 | H211 | 60.0° | 60.0° |
| C20 | C19 | N18 | H181 | 1.4° | 0.1° |
| O22 | C19 | N18 | C17 | 5.1° | 0.0° |
| O22 | C19 | C20 | H201 | 173.2° | 120.0° |
| O22 | C19 | C20 | H202 | 54.5° | 120.0° |
| O22 | C19 | N18 | H181 | 174.9° | 180.0° |
| N18 | C17 | C23 | H171 | 114.2° | 120.1° |
| N18 | C17 | C23 | N13 | 146.3° | 174.6° |
| N18 | C17 | C16 | H161 | 85.9° | 61.3° |
| N18 | C17 | C16 | H162 | 35.3° | 58.6° |
| N18 | C17 | C23 | H231 | 94.3° | 54.9° |
| N18 | C17 | C23 | H232 | 26.8° | 65.4° |
| C17 | C23 | N13 | C12 | 104.5° | 126.4° |
| C17 | C23 | N13 | H231 | 119.4° | 119.7° |
| C17 | C23 | N13 | H232 | 119.4° | 119.9° |
| C23 | C17 | C16 | H161 | 50.2° | 58.7° |
| C23 | C17 | C16 | H162 | 171.4° | 178.6° |
| C17 | C23 | H231 | H232 | 121.7° | 120.3° |
| C23 | C17 | N18 | H181 | 165.3° | 94.8° |
| N13 | C12 | O11 | C10 | 172.5° | 179.9° |
| C12 | N13 | C14 | H141 | 83.5° | 6.7° |
| C12 | N13 | C14 | H142 | 34.8° | 113.8° |
| C12 | N13 | C23 | H231 | 136.0° | 113.8° |
| C12 | N13 | C23 | H232 | 14.9° | 6.6° |
| O24 | C12 | O11 | C10 | 5.4° | 0.0° |
| O24 | C12 | N13 | C23 | 140.3° | 0.0° |
| O11 | C10 | C25 | H101 | 118.8° | 122.6° |
| O11 | C10 | C25 | C26 | 153.1° | 98.5° |
| O11 | C10 | C25 | O36 | 82.7° | 142.7° |
| O11 | C10 | C08 | H081 | 169.7° | 122.6° |
| O11 | C10 | C25 | H251 | 30.0° | 23.8° |
| C10 | C25 | C26 | O27 | 49.2° | 175.0° |
| C10 | C25 | C26 | O36 | 117.7° | 115.4° |
| C10 | C25 | C26 | H251 | 121.9° | 122.3° |
| C10 | C25 | O36 | H251 | 112.0° | 118.9° |
| C10 | C25 | O36 | C07 | 9.2° | 40.5° |
| C10 | C25 | C26 | H261 | 71.1° | 55.0° |
| C10 | C25 | C26 | H262 | 169.5° | 64.9° |
| C25 | C10 | C08 | H081 | 80.9° | 118.7° |
| C26 | O27 | P28 | O29 | 53.4° | 175.0° |
| C26 | O27 | P28 | O34 | 165.7° | 65.0° |
| C26 | O27 | P28 | O35 | 64.0° | 55.0° |
| O27 | C26 | C25 | H261 | 120.3° | 120.0° |
| O27 | C26 | C25 | H262 | 120.3° | 120.1° |
| O27 | C26 | C25 | O36 | 68.5° | 69.6° |
| O27 | C26 | H261 | H262 | 119.1° | 120.1° |
| O27 | C26 | C25 | H251 | 171.1° | 52.7° |
| O27 | P28 | O29 | P30 | 171.2° | 165.0° |
| O27 | P28 | O29 | O34 | 111.8° | 120.0° |
| O27 | P28 | O29 | O35 | 125.5° | 120.0° |
| O27 | P28 | O34 | O35 | 132.2° | 120.0° |
| P28 | O27 | C26 | C25 | 162.2° | 180.0° |
| P28 | O27 | C26 | H261 | 41.9° | 60.1° |
| P28 | O27 | C26 | H262 | 77.5° | 60.0° |
| O27 | P28 | O34 | H3 | 132.2° | 60.0° |
| O29 | P30 | O31 | O32 | 114.5° | 120.0° |
| O29 | P30 | O31 | O33 | 116.9° | 120.0° |
| O29 | P30 | O32 | O33 | 116.1° | 120.0° |
| P30 | O29 | P28 | O34 | 77.0° | 75.0° |
| P30 | O29 | P28 | O35 | 45.7° | 45.0° |
| O29 | P30 | O31 | H1 | 114.5° | 180.0° |
| O29 | P30 | O33 | H2 | 114.4° | 60.0° |
| O31 | P30 | O32 | O33 | 128.7° | 120.0° |
| O31 | P30 | O29 | P28 | 22.6° | 160.0° |
| O31 | P30 | O33 | H2 | 129.8° | 60.1° |
| O32 | P30 | O29 | P28 | 143.5° | 40.1° |
| O32 | P30 | O31 | H1 | 0.0° | 60.0° |
| O32 | P30 | O33 | H2 | 0.0° | 180.0° |
| O33 | P30 | O29 | P28 | 97.3° | 80.0° |
| O33 | P30 | O31 | H1 | 128.7° | 60.0° |
| O29 | P28 | O34 | O35 | 117.0° | 120.0° |
| O29 | P28 | O34 | H3 | 117.0° | 60.0° |
| O35 | P28 | O34 | H3 | 0.0° | 180.0° |
| C26 | C25 | O36 | H251 | 121.3° | 122.3° |
| C26 | C25 | O36 | C07 | 117.5° | 159.3° |
| C26 | C25 | C10 | H101 | 34.3° | 24.1° |
| C25 | C26 | H261 | H262 | 119.2° | 120.0° |
| O36 | C25 | C10 | H101 | 158.5° | 94.7° |
| O36 | C25 | C26 | H261 | 171.2° | 170.4° |
| O36 | C25 | C26 | H262 | 51.8° | 50.4° |
| C25 | O36 | C07 | H071 | 105.4° | 78.4° |
| N04 | C03 | C37 | N38 | 179.3° | 180.0° |
| N04 | C03 | C02 | N41 | 179.2° | 179.7° |
| N04 | C03 | C37 | N06 | 1.6° | 0.0° |
| C03 | N04 | C05 | H051 | 178.8° | 179.9° |
| C03 | C37 | N38 | N06 | 178.9° | 179.9° |
| C03 | C37 | N38 | C39 | 0.2° | 0.0° |
| C37 | C03 | C02 | N41 | 2.5° | 0.3° |
| C37 | N38 | C39 | N40 | 178.9° | 179.9° |
| C37 | N38 | C39 | N41 | 0.7° | 0.4° |
| N38 | C39 | N40 | N41 | 179.6° | 179.6° |
| N38 | C39 | N41 | C02 | 0.1° | 0.7° |
| C39 | N38 | C37 | N06 | 179.1° | 179.9° |
| N38 | C39 | N40 | H402 | 0.0° | 0.1° |
| N38 | C39 | N40 | H401 | 180.0° | 180.0° |
| N38 | C39 | N41 | H411 | 179.9° | 179.7° |
| N40 | C39 | N41 | C02 | 179.7° | 179.7° |
| C39 | N40 | H402 | H401 | 180.0° | 180.0° |
| N40 | C39 | N41 | H411 | 0.3° | 0.1° |
| C39 | N41 | C02 | H411 | 180.0° | 179.6° |
| N41 | C39 | N40 | H402 | 179.6° | 179.6° |
| N41 | C39 | N40 | H401 | 0.4° | 0.4° |
| C37 | N06 | C07 | O36 | 112.7° | 156.5° |
| C37 | N06 | C05 | H051 | 177.8° | 179.9° |
| C37 | N06 | C07 | H071 | 8.6° | 34.2° |
| O36 | C07 | C08 | H081 | 89.4° | 94.7° |
| C07 | O36 | C25 | H251 | 121.2° | 78.4° |
| N13 | C23 | C17 | H171 | 32.1° | 65.3° |
| C23 | N13 | C14 | H141 | 152.5° | 173.4° |
| C23 | N13 | C14 | H142 | 89.2° | 66.2° |
| N13 | C23 | H231 | H232 | 121.7° | 120.5° |
| H101 | C10 | C08 | H081 | 42.2° | 0.0° |
| H101 | C10 | C25 | H251 | 88.8° | 146.4° |
| H151 | C15 | C14 | H141 | 40.4° | 65.7° |
| H151 | C15 | C14 | H142 | 158.7° | 54.7° |
| H151 | C15 | C16 | H161 | 11.7° | 61.2° |
| H151 | C15 | C16 | H162 | 109.5° | 58.7° |
| H152 | C15 | C14 | H141 | 78.0° | 54.4° |
| H152 | C15 | C14 | H142 | 40.2° | 174.8° |
| H152 | C15 | C16 | H161 | 130.1° | 178.6° |
| H152 | C15 | C16 | H162 | 9.0° | 61.5° |
| H171 | C17 | C16 | H161 | 160.0° | 178.6° |
| H171 | C17 | C16 | H162 | 78.9° | 61.5° |
| H171 | C17 | C23 | H231 | 151.5° | 174.9° |
| H171 | C17 | C23 | H232 | 87.4° | 54.6° |
| H171 | C17 | N18 | H181 | 80.6° | 145.1° |
| H201 | C20 | C21 | H212 | 59.4° | 60.0° |
| H201 | C20 | C21 | H213 | 60.6° | 60.0° |
| H201 | C20 | C21 | H211 | 179.4° | 179.9° |
| H202 | C20 | C21 | H212 | 59.3° | 60.0° |
| H202 | C20 | C21 | H213 | 179.4° | 180.0° |
| H202 | C20 | C21 | H211 | 60.7° | 60.0° |
| H212 | C21 | H213 | H211 | 120.0° | 120.0° |
| H261 | C26 | C25 | H251 | 50.8° | 67.3° |
| H262 | C26 | C25 | H251 | 68.7° | 172.8° |
| H071 | C07 | C08 | H081 | 151.6° | 146.5° |
| H081 | C08 | O09 | H091 | 64.3° | 57.3° |
