A1AIW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N34 | C33 | sing | 1.37Å | 1.44Å | |
| C33 | N32 | sing | 1.37Å | 1.46Å | |
| C33 | N35 | doub | 1.30Å | 1.25Å | |
| N32 | C31 | sing | 1.46Å | 1.44Å | |
| C31 | C30 | sing | 1.53Å | 1.52Å | |
| C30 | C29 | sing | 1.53Å | 1.53Å | |
| C29 | C28 | sing | 1.53Å | 1.53Å | |
| C28 | O27 | sing | 1.43Å | 1.40Å | |
| O27 | C26 | sing | 1.36Å | 1.41Å | |
| C26 | C36 | doub | 1.39Å | 1.40Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C36 | C37 | sing | 1.37Å | 1.39Å | Aromatic |
| C25 | C24 | doub | 1.39Å | 1.42Å | Aromatic |
| C37 | C38 | doub | 1.39Å | 1.41Å | Aromatic |
| C24 | C38 | sing | 1.41Å | 1.38Å | Aromatic |
| C24 | N15 | sing | 1.37Å | 1.35Å | Aromatic |
| C38 | C13 | sing | 1.47Å | 1.44Å | Aromatic |
| N15 | C16 | sing | 1.47Å | 1.45Å | |
| N15 | N14 | sing | 1.28Å | 1.33Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C23 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C17 | sing | 1.51Å | 1.52Å | |
| C22 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | F21 | sing | 1.35Å | 1.36Å | |
| C20 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | N14 | doub | 1.32Å | 1.31Å | Aromatic |
| C13 | C02 | sing | 1.47Å | 1.53Å | |
| O01 | C02 | doub | 1.22Å | 1.18Å | |
| C02 | N03 | sing | 1.35Å | 1.46Å | |
| N03 | C04 | sing | 1.46Å | 1.47Å | |
| C10 | C09 | sing | 1.53Å | 1.53Å | |
| O08 | C05 | doub | 1.21Å | 1.18Å | |
| C04 | C09 | sing | 1.53Å | 1.54Å | |
| C04 | C05 | sing | 1.51Å | 1.53Å | |
| C09 | C12 | sing | 1.53Å | 1.53Å | |
| C09 | C11 | sing | 1.53Å | 1.53Å | |
| C05 | O06 | sing | 1.34Å | 1.40Å | |
| C07 | O06 | sing | 1.45Å | 1.40Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H103 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C07 | H073 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H113 | sing | 1.09Å | 1.10Å | |
| C12 | H123 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.08Å | 1.08Å | |
| C37 | H371 | sing | 1.08Å | 1.08Å | |
| N03 | H031 | sing | 0.97Å | 1.00Å | |
| N32 | H321 | sing | 0.97Å | 1.00Å | |
| N34 | H342 | sing | 0.97Å | 1.00Å | |
| N35 | H351 | sing | 0.97Å | 1.00Å | |
| N34 | H341 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N34 | C33 | N32 | 118.8° | 120.0° |
| N34 | C33 | N35 | 116.7° | 120.0° |
| C33 | N34 | H342 | 120.0° | 120.0° |
| C33 | N34 | H341 | 120.0° | 120.0° |
| N32 | C33 | N35 | 124.5° | 120.0° |
| C33 | N32 | C31 | 121.9° | 120.0° |
| C33 | N32 | H321 | 119.1° | 120.0° |
| C33 | N35 | H351 | 112.0° | 120.0° |
| N32 | C31 | C30 | 113.9° | 109.4° |
| N32 | C31 | H311 | 108.4° | 109.5° |
| N32 | C31 | H312 | 108.4° | 109.5° |
| C31 | N32 | H321 | 119.1° | 120.0° |
| C31 | C30 | C29 | 108.1° | 109.4° |
| C31 | C30 | H301 | 109.8° | 109.4° |
| C31 | C30 | H302 | 109.8° | 109.5° |
| C30 | C31 | H311 | 108.4° | 109.4° |
| C30 | C31 | H312 | 108.4° | 109.5° |
| C30 | C29 | C28 | 117.9° | 109.4° |
| C30 | C29 | H292 | 107.3° | 109.5° |
| C30 | C29 | H291 | 107.3° | 109.5° |
| C29 | C30 | H301 | 109.8° | 109.5° |
| C29 | C30 | H302 | 109.8° | 109.5° |
| C29 | C28 | O27 | 111.6° | 109.4° |
| C29 | C28 | H282 | 108.9° | 109.5° |
| C29 | C28 | H281 | 108.9° | 109.5° |
| C28 | C29 | H292 | 107.4° | 109.4° |
| C28 | C29 | H291 | 107.3° | 109.5° |
| C28 | O27 | C26 | 116.5° | 117.0° |
| O27 | C28 | H282 | 108.9° | 109.5° |
| O27 | C28 | H281 | 109.0° | 109.4° |
| O27 | C26 | C36 | 120.2° | 119.7° |
| O27 | C26 | C25 | 120.3° | 119.7° |
| C36 | C26 | C25 | 119.5° | 120.6° |
| C26 | C36 | C37 | 120.2° | 120.5° |
| C26 | C36 | H361 | 119.9° | 119.8° |
| C26 | C25 | C24 | 120.7° | 119.7° |
| C26 | C25 | H251 | 119.7° | 120.2° |
| C36 | C37 | C38 | 120.0° | 119.7° |
| C37 | C36 | H361 | 119.9° | 119.8° |
| C36 | C37 | H371 | 120.0° | 120.2° |
| C25 | C24 | C38 | 119.4° | 119.3° |
| C25 | C24 | N15 | 132.9° | 134.7° |
| C24 | C25 | H251 | 119.6° | 120.2° |
| C37 | C38 | C24 | 120.2° | 120.2° |
| C37 | C38 | C13 | 135.5° | 135.4° |
| C38 | C37 | H371 | 120.0° | 120.1° |
| C38 | C24 | N15 | 107.7° | 106.0° |
| C24 | C38 | C13 | 104.3° | 104.4° |
| C24 | N15 | C16 | 126.8° | 124.4° |
| C24 | N15 | N14 | 110.5° | 111.3° |
| C38 | C13 | N14 | 108.6° | 106.4° |
| C38 | C13 | C02 | 129.6° | 126.9° |
| C16 | N15 | N14 | 122.7° | 124.4° |
| N15 | C16 | C17 | 111.8° | 109.5° |
| N15 | C16 | H162 | 108.9° | 109.4° |
| N15 | C16 | H161 | 108.9° | 109.5° |
| N15 | N14 | C13 | 108.9° | 112.0° |
| C22 | C23 | C17 | 120.3° | 120.0° |
| C23 | C22 | C20 | 119.8° | 120.0° |
| C23 | C22 | H221 | 120.1° | 120.0° |
| C22 | C23 | H231 | 119.8° | 120.0° |
| C23 | C17 | C16 | 119.3° | 120.0° |
| C23 | C17 | C18 | 119.5° | 120.1° |
| C17 | C23 | H231 | 119.8° | 120.0° |
| C16 | C17 | C18 | 121.2° | 119.9° |
| C17 | C16 | H162 | 108.9° | 109.5° |
| C17 | C16 | H161 | 108.9° | 109.5° |
| C22 | C20 | F21 | 119.9° | 120.0° |
| C22 | C20 | C19 | 120.2° | 120.0° |
| C20 | C22 | H221 | 120.1° | 120.0° |
| C17 | C18 | C19 | 120.3° | 120.0° |
| C17 | C18 | H181 | 119.8° | 120.0° |
| F21 | C20 | C19 | 119.9° | 120.0° |
| C20 | C19 | C18 | 119.9° | 120.0° |
| C20 | C19 | H191 | 120.1° | 120.1° |
| C19 | C18 | H181 | 119.9° | 120.0° |
| C18 | C19 | H191 | 120.0° | 120.0° |
| N14 | C13 | C02 | 121.9° | 126.8° |
| C13 | C02 | O01 | 120.3° | 120.0° |
| C13 | C02 | N03 | 113.6° | 120.0° |
| O01 | C02 | N03 | 126.1° | 120.0° |
| C02 | N03 | C04 | 131.3° | 120.0° |
| C02 | N03 | H031 | 114.3° | 120.0° |
| N03 | C04 | C09 | 118.5° | 109.5° |
| N03 | C04 | C05 | 106.6° | 109.5° |
| N03 | C04 | H041 | 106.7° | 109.5° |
| C04 | N03 | H031 | 114.3° | 120.0° |
| C10 | C09 | C04 | 113.2° | 109.5° |
| C10 | C09 | C12 | 114.4° | 109.4° |
| C10 | C09 | C11 | 109.0° | 109.5° |
| C09 | C10 | H101 | 109.5° | 109.5° |
| C09 | C10 | H103 | 109.4° | 109.5° |
| C09 | C10 | H102 | 109.4° | 109.5° |
| O08 | C05 | C04 | 121.2° | 120.0° |
| O08 | C05 | O06 | 119.0° | 120.0° |
| C09 | C04 | C05 | 112.2° | 109.5° |
| C04 | C09 | C12 | 107.2° | 109.5° |
| C04 | C09 | C11 | 108.5° | 109.5° |
| C09 | C04 | H041 | 106.0° | 109.5° |
| C04 | C05 | O06 | 119.9° | 120.0° |
| C05 | C04 | H041 | 106.0° | 109.5° |
| C12 | C09 | C11 | 104.0° | 109.5° |
| C09 | C12 | H123 | 109.5° | 109.5° |
| C09 | C12 | H121 | 109.5° | 109.4° |
| C09 | C12 | H122 | 109.5° | 109.5° |
| C09 | C11 | H112 | 109.5° | 109.5° |
| C09 | C11 | H111 | 109.5° | 109.5° |
| C09 | C11 | H113 | 109.5° | 109.5° |
| C05 | O06 | C07 | 115.5° | 117.0° |
| O06 | C07 | H072 | 109.5° | 109.5° |
| O06 | C07 | H071 | 109.4° | 109.5° |
| O06 | C07 | H073 | 109.5° | 109.4° |
| H101 | C10 | H103 | 109.5° | 109.5° |
| H101 | C10 | H102 | 109.5° | 109.4° |
| H103 | C10 | H102 | 109.5° | 109.5° |
| H282 | C28 | H281 | 109.5° | 109.5° |
| H072 | C07 | H071 | 109.5° | 109.5° |
| H072 | C07 | H073 | 109.5° | 109.4° |
| H071 | C07 | H073 | 109.5° | 109.4° |
| H112 | C11 | H111 | 109.5° | 109.4° |
| H112 | C11 | H113 | 109.5° | 109.4° |
| H111 | C11 | H113 | 109.5° | 109.5° |
| H123 | C12 | H121 | 109.5° | 109.5° |
| H123 | C12 | H122 | 109.4° | 109.5° |
| H121 | C12 | H122 | 109.5° | 109.4° |
| H162 | C16 | H161 | 109.5° | 109.4° |
| H292 | C29 | H291 | 109.5° | 109.5° |
| H301 | C30 | H302 | 109.5° | 109.5° |
| H311 | C31 | H312 | 109.5° | 109.5° |
| H342 | N34 | H341 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N34 | C33 | N32 | N35 | 179.7° | 180.0° |
| N34 | C33 | N32 | C31 | 179.9° | 180.0° |
| N34 | C33 | N32 | H321 | 0.1° | 0.0° |
| C33 | N34 | H342 | H341 | 180.0° | 180.0° |
| N34 | C33 | N35 | H351 | 179.7° | 180.0° |
| C33 | N32 | C31 | H321 | 180.0° | 180.0° |
| C33 | N32 | C31 | C30 | 178.2° | 180.0° |
| C33 | N32 | C31 | H311 | 57.5° | 60.0° |
| C33 | N32 | C31 | H312 | 61.2° | 60.0° |
| N32 | C33 | N34 | H342 | 179.8° | 0.0° |
| N32 | C33 | N35 | H351 | 0.0° | 0.0° |
| N32 | C33 | N34 | H341 | 0.3° | 180.0° |
| N35 | C33 | N32 | C31 | 0.4° | 0.0° |
| N35 | C33 | N32 | H321 | 179.6° | 180.0° |
| N35 | C33 | N34 | H342 | 0.0° | 180.0° |
| N35 | C33 | N34 | H341 | 180.0° | 0.0° |
| N32 | C31 | C30 | H311 | 120.6° | 120.0° |
| N32 | C31 | C30 | H312 | 120.7° | 120.0° |
| N32 | C31 | C30 | C29 | 172.9° | 180.0° |
| N32 | C31 | C30 | H301 | 67.3° | 60.0° |
| N32 | C31 | C30 | H302 | 53.1° | 60.0° |
| N32 | C31 | H311 | H312 | 118.0° | 120.0° |
| C31 | C30 | C29 | H301 | 119.8° | 119.9° |
| C31 | C30 | C29 | H302 | 119.8° | 120.0° |
| C31 | C30 | C29 | C28 | 93.0° | 180.0° |
| C31 | C30 | C29 | H292 | 28.2° | 60.1° |
| C31 | C30 | C29 | H291 | 145.8° | 60.0° |
| C31 | C30 | H301 | H302 | 120.6° | 120.0° |
| C30 | C31 | H311 | H312 | 118.0° | 120.0° |
| C30 | C31 | N32 | H321 | 1.8° | 0.0° |
| C30 | C29 | C28 | H292 | 121.2° | 120.0° |
| C30 | C29 | C28 | H291 | 121.2° | 120.0° |
| C30 | C29 | C28 | O27 | 9.5° | 180.0° |
| C30 | C29 | C28 | H282 | 129.8° | 60.0° |
| C30 | C29 | C28 | H281 | 110.8° | 60.1° |
| C30 | C29 | H292 | H291 | 116.2° | 120.1° |
| C29 | C30 | H301 | H302 | 120.7° | 120.0° |
| C29 | C30 | C31 | H311 | 52.3° | 60.0° |
| C29 | C30 | C31 | H312 | 66.4° | 60.0° |
| C29 | C28 | O27 | H282 | 120.3° | 120.1° |
| C29 | C28 | O27 | H281 | 120.3° | 120.0° |
| C29 | C28 | O27 | C26 | 173.5° | 180.0° |
| C29 | C28 | H282 | H281 | 119.0° | 120.1° |
| C28 | C29 | H292 | H291 | 116.2° | 120.0° |
| C28 | C29 | C30 | H301 | 147.2° | 60.1° |
| C28 | C29 | C30 | H302 | 26.8° | 60.0° |
| C28 | O27 | C26 | C36 | 125.7° | 0.1° |
| C28 | O27 | C26 | C25 | 54.8° | 180.0° |
| O27 | C28 | H282 | H281 | 119.1° | 119.9° |
| O27 | C28 | C29 | H292 | 111.7° | 60.1° |
| O27 | C28 | C29 | H291 | 130.7° | 59.9° |
| O27 | C26 | C36 | C25 | 179.5° | 180.0° |
| O27 | C26 | C36 | C37 | 179.9° | 180.0° |
| O27 | C26 | C25 | C24 | 179.9° | 179.9° |
| C26 | O27 | C28 | H282 | 66.2° | 59.9° |
| C26 | O27 | C28 | H281 | 53.2° | 60.0° |
| O27 | C26 | C25 | H251 | 0.1° | 0.0° |
| O27 | C26 | C36 | H361 | 0.1° | 0.1° |
| C26 | C36 | C37 | H361 | 180.0° | 179.9° |
| C36 | C26 | C25 | C24 | 0.4° | 0.0° |
| C26 | C36 | C37 | C38 | 0.3° | 0.0° |
| C36 | C26 | C25 | H251 | 179.6° | 180.0° |
| C26 | C36 | C37 | H371 | 179.7° | 180.0° |
| C25 | C26 | C36 | C37 | 0.3° | 0.0° |
| C26 | C25 | C24 | H251 | 180.0° | 180.0° |
| C26 | C25 | C24 | C38 | 0.4° | 0.1° |
| C26 | C25 | C24 | N15 | 180.0° | 179.7° |
| C25 | C26 | C36 | H361 | 179.6° | 179.9° |
| C36 | C37 | C38 | H371 | 180.0° | 180.0° |
| C36 | C37 | C38 | C24 | 0.3° | 0.0° |
| C36 | C37 | C38 | C13 | 179.7° | 180.0° |
| C25 | C24 | C38 | C37 | 0.4° | 0.0° |
| C25 | C24 | C38 | N15 | 179.7° | 179.8° |
| C25 | C24 | C38 | C13 | 179.6° | 180.0° |
| C25 | C24 | N15 | C16 | 0.1° | 0.3° |
| C25 | C24 | N15 | N14 | 179.6° | 179.9° |
| C37 | C38 | C24 | C13 | 180.0° | 180.0° |
| C37 | C38 | C24 | N15 | 180.0° | 179.8° |
| C37 | C38 | C13 | N14 | 180.0° | 180.0° |
| C37 | C38 | C13 | C02 | 0.1° | 0.3° |
| C38 | C37 | C36 | H361 | 179.7° | 179.9° |
| C38 | C24 | N15 | C16 | 179.5° | 179.9° |
| C38 | C24 | N15 | N14 | 0.0° | 0.4° |
| C24 | C38 | C13 | N14 | 0.0° | 0.0° |
| C24 | C38 | C13 | C02 | 179.9° | 179.8° |
| C38 | C24 | C25 | H251 | 179.6° | 180.0° |
| C24 | C38 | C37 | H371 | 179.7° | 180.0° |
| N15 | C24 | C38 | C13 | 0.0° | 0.2° |
| C24 | N15 | C16 | N14 | 179.5° | 179.5° |
| C24 | N15 | C16 | C17 | 95.4° | 90.0° |
| C24 | N15 | N14 | C13 | 0.0° | 0.4° |
| C24 | N15 | C16 | H162 | 144.3° | 30.1° |
| C24 | N15 | C16 | H161 | 25.0° | 150.0° |
| N15 | C24 | C25 | H251 | 0.0° | 0.3° |
| C38 | C13 | N14 | N15 | 0.0° | 0.2° |
| C38 | C13 | N14 | C02 | 179.9° | 179.7° |
| C38 | C13 | C02 | O01 | 37.9° | 0.3° |
| C38 | C13 | C02 | N03 | 143.3° | 179.7° |
| C13 | C38 | C37 | H371 | 0.3° | 0.1° |
| N15 | C16 | C17 | C23 | 162.6° | 90.2° |
| N15 | C16 | C17 | H162 | 120.3° | 120.0° |
| N15 | C16 | C17 | H161 | 120.3° | 120.0° |
| N15 | C16 | C17 | C18 | 17.3° | 90.0° |
| C16 | N15 | N14 | C13 | 179.5° | 180.0° |
| N15 | C16 | H162 | H161 | 118.9° | 119.9° |
| N14 | N15 | C16 | C17 | 85.1° | 89.5° |
| N15 | N14 | C13 | C02 | 179.9° | 180.0° |
| N14 | N15 | C16 | H162 | 35.2° | 150.4° |
| N14 | N15 | C16 | H161 | 154.5° | 30.5° |
| C22 | C23 | C17 | H231 | 180.0° | 179.4° |
| C22 | C23 | C17 | C16 | 179.5° | 179.7° |
| C23 | C22 | C20 | H221 | 180.0° | 179.8° |
| C22 | C23 | C17 | C18 | 0.3° | 0.0° |
| C23 | C22 | C20 | F21 | 179.8° | 179.8° |
| C23 | C22 | C20 | C19 | 0.1° | 0.7° |
| C23 | C17 | C16 | C18 | 179.8° | 179.8° |
| C17 | C23 | C22 | C20 | 0.1° | 0.5° |
| C23 | C17 | C18 | C19 | 0.2° | 0.2° |
| C17 | C23 | C22 | H221 | 179.9° | 179.7° |
| C23 | C17 | C16 | H162 | 77.1° | 29.8° |
| C23 | C17 | C16 | H161 | 42.2° | 149.8° |
| C23 | C17 | C18 | H181 | 179.8° | 179.8° |
| C16 | C17 | C18 | C19 | 179.6° | 180.0° |
| C17 | C16 | H162 | H161 | 118.9° | 120.0° |
| C16 | C17 | C18 | H181 | 0.4° | 0.1° |
| C16 | C17 | C23 | H231 | 0.5° | 0.3° |
| C22 | C20 | F21 | C19 | 179.7° | 179.5° |
| C22 | C20 | C19 | C18 | 0.2° | 0.4° |
| C22 | C20 | C19 | H191 | 179.8° | 179.5° |
| C20 | C22 | C23 | H231 | 179.9° | 179.9° |
| C17 | C18 | C19 | C20 | 0.1° | 0.0° |
| C17 | C18 | C19 | H181 | 180.0° | 179.9° |
| C18 | C17 | C16 | H162 | 103.1° | 150.0° |
| C18 | C17 | C16 | H161 | 137.6° | 30.0° |
| C17 | C18 | C19 | H191 | 179.9° | 180.0° |
| C18 | C17 | C23 | H231 | 179.7° | 179.5° |
| F21 | C20 | C19 | C18 | 179.9° | 180.0° |
| F21 | C20 | C22 | H221 | 0.1° | 0.0° |
| F21 | C20 | C19 | H191 | 0.1° | 0.0° |
| C20 | C19 | C18 | H191 | 180.0° | 179.9° |
| C19 | C20 | C22 | H221 | 179.8° | 179.5° |
| C20 | C19 | C18 | H181 | 179.9° | 180.0° |
| N14 | C13 | C02 | O01 | 142.0° | 180.0° |
| N14 | C13 | C02 | N03 | 36.8° | 0.0° |
| C13 | C02 | O01 | N03 | 178.7° | 180.0° |
| C13 | C02 | N03 | C04 | 178.1° | 180.0° |
| C13 | C02 | N03 | H031 | 1.9° | 0.0° |
| O01 | C02 | N03 | C04 | 0.6° | 0.0° |
| O01 | C02 | N03 | H031 | 179.4° | 180.0° |
| C02 | N03 | C04 | H031 | 180.0° | 180.0° |
| C02 | N03 | C04 | C09 | 7.1° | 85.0° |
| C02 | N03 | C04 | C05 | 134.7° | 155.0° |
| C02 | N03 | C04 | H041 | 112.3° | 35.0° |
| N03 | C04 | C09 | C10 | 55.2° | 180.0° |
| N03 | C04 | C05 | O08 | 77.8° | 0.0° |
| N03 | C04 | C09 | C05 | 124.9° | 120.0° |
| N03 | C04 | C09 | H041 | 119.8° | 120.0° |
| N03 | C04 | C05 | H041 | 113.5° | 120.0° |
| N03 | C04 | C09 | C12 | 71.9° | 60.0° |
| N03 | C04 | C09 | C11 | 176.3° | 60.0° |
| N03 | C04 | C05 | O06 | 102.5° | 180.0° |
| C10 | C09 | C04 | C12 | 127.1° | 120.0° |
| C10 | C09 | C04 | C11 | 121.1° | 120.0° |
| C10 | C09 | C04 | C05 | 69.7° | 60.0° |
| C10 | C09 | C12 | C11 | 118.8° | 120.0° |
| C09 | C10 | H101 | H103 | 120.0° | 120.0° |
| C09 | C10 | H101 | H102 | 120.0° | 120.0° |
| C09 | C10 | H103 | H102 | 120.0° | 120.0° |
| C10 | C09 | C04 | H041 | 175.0° | 60.0° |
| C10 | C09 | C11 | H112 | 180.0° | 60.0° |
| C10 | C09 | C11 | H111 | 60.0° | 180.0° |
| C10 | C09 | C11 | H113 | 60.0° | 60.0° |
| C10 | C09 | C12 | H123 | 180.0° | 60.0° |
| C10 | C09 | C12 | H121 | 60.0° | 180.0° |
| C10 | C09 | C12 | H122 | 60.0° | 60.0° |
| O08 | C05 | C04 | C09 | 53.5° | 120.0° |
| O08 | C05 | C04 | O06 | 179.8° | 180.0° |
| O08 | C05 | O06 | C07 | 107.8° | 0.0° |
| O08 | C05 | C04 | H041 | 168.7° | 120.0° |
| C09 | C04 | C05 | H041 | 115.2° | 120.0° |
| C04 | C09 | C12 | C11 | 114.8° | 120.0° |
| C09 | C04 | C05 | O06 | 126.2° | 60.0° |
| C04 | C09 | C10 | H101 | 180.0° | 60.0° |
| C04 | C09 | C10 | H103 | 60.0° | 180.0° |
| C04 | C09 | C10 | H102 | 60.0° | 60.0° |
| C04 | C09 | C11 | H112 | 56.3° | 180.0° |
| C04 | C09 | C11 | H111 | 176.3° | 60.0° |
| C04 | C09 | C11 | H113 | 63.7° | 60.0° |
| C04 | C09 | C12 | H123 | 53.7° | 60.0° |
| C04 | C09 | C12 | H121 | 66.4° | 60.0° |
| C04 | C09 | C12 | H122 | 173.6° | 180.0° |
| C09 | C04 | N03 | H031 | 172.9° | 95.0° |
| C05 | C04 | C09 | C12 | 163.2° | 180.0° |
| C05 | C04 | C09 | C11 | 51.4° | 60.0° |
| C04 | C05 | O06 | C07 | 72.4° | 180.0° |
| C05 | C04 | N03 | H031 | 45.3° | 25.0° |
| C12 | C09 | C10 | H101 | 56.8° | 60.0° |
| C12 | C09 | C10 | H103 | 63.2° | 60.0° |
| C12 | C09 | C10 | H102 | 176.8° | 180.0° |
| C12 | C09 | C04 | H041 | 47.9° | 60.0° |
| C12 | C09 | C11 | H112 | 57.6° | 60.0° |
| C12 | C09 | C11 | H111 | 62.4° | 60.0° |
| C12 | C09 | C11 | H113 | 177.6° | 180.0° |
| C09 | C12 | H123 | H121 | 120.0° | 120.0° |
| C09 | C12 | H123 | H122 | 120.0° | 120.1° |
| C09 | C12 | H121 | H122 | 120.0° | 120.0° |
| C11 | C09 | C10 | H101 | 59.1° | 180.0° |
| C11 | C09 | C10 | H103 | 179.1° | 60.0° |
| C11 | C09 | C10 | H102 | 60.9° | 60.0° |
| C11 | C09 | C04 | H041 | 63.8° | 180.0° |
| C09 | C11 | H112 | H111 | 120.0° | 120.0° |
| C09 | C11 | H112 | H113 | 120.0° | 120.0° |
| C09 | C11 | H111 | H113 | 120.0° | 120.1° |
| C11 | C09 | C12 | H123 | 61.2° | 180.0° |
| C11 | C09 | C12 | H121 | 178.8° | 60.0° |
| C11 | C09 | C12 | H122 | 58.8° | 59.9° |
| O06 | C05 | C04 | H041 | 11.0° | 60.0° |
| C05 | O06 | C07 | H072 | 180.0° | 180.0° |
| C05 | O06 | C07 | H071 | 60.0° | 59.9° |
| C05 | O06 | C07 | H073 | 60.0° | 60.0° |
| O06 | C07 | H072 | H071 | 120.0° | 120.1° |
| O06 | C07 | H072 | H073 | 120.0° | 120.0° |
| O06 | C07 | H071 | H073 | 120.0° | 120.0° |
| H101 | C10 | H103 | H102 | 120.0° | 120.0° |
| H221 | C22 | C23 | H231 | 0.1° | 0.3° |
| H282 | C28 | C29 | H292 | 8.6° | 60.0° |
| H282 | C28 | C29 | H291 | 109.0° | 180.0° |
| H281 | C28 | C29 | H292 | 127.9° | 180.0° |
| H281 | C28 | C29 | H291 | 10.3° | 60.0° |
| H041 | C04 | N03 | H031 | 67.7° | 145.0° |
| H072 | C07 | H071 | H073 | 120.0° | 120.0° |
| H112 | C11 | H111 | H113 | 120.0° | 119.9° |
| H123 | C12 | H121 | H122 | 119.9° | 120.0° |
| H181 | C18 | C19 | H191 | 0.1° | 0.1° |
| H292 | C29 | C30 | H301 | 91.5° | 180.0° |
| H292 | C29 | C30 | H302 | 148.0° | 60.0° |
| H291 | C29 | C30 | H301 | 26.1° | 59.9° |
| H291 | C29 | C30 | H302 | 94.4° | 180.0° |
| H301 | C30 | C31 | H311 | 172.1° | 180.0° |
| H301 | C30 | C31 | H312 | 53.3° | 60.0° |
| H302 | C30 | C31 | H311 | 67.5° | 60.0° |
| H302 | C30 | C31 | H312 | 173.8° | 180.0° |
| H311 | C31 | N32 | H321 | 122.4° | 120.0° |
| H312 | C31 | N32 | H321 | 118.8° | 120.0° |
| H361 | C36 | C37 | H371 | 0.3° | 0.0° |
