C47
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O2 | sing | 1.52Å | 1.52Å | |
| O2 | C3 | sing | 1.43Å | 1.43Å | |
| C3 | O4 | doub | 1.26Å | 1.26Å | |
| C3 | C5 | sing | 1.48Å | 1.48Å | |
| C5 | C6 | sing | 1.51Å | 1.51Å | |
| C5 | C14 | sing | 1.46Å | 1.46Å | |
| C6 | C7 | sing | 1.48Å | 1.48Å | |
| C7 | C8 | sing | 1.44Å | 1.44Å | Aromatic |
| C7 | C12 | doub | 1.44Å | 1.44Å | Aromatic |
| C8 | C9 | doub | 1.52Å | 1.52Å | Aromatic |
| C9 | C10 | sing | 1.40Å | 1.40Å | Aromatic |
| C10 | C11 | doub | 1.41Å | 1.41Å | Aromatic |
| C11 | C12 | sing | 1.52Å | 1.52Å | Aromatic |
| C12 | N13 | sing | 1.51Å | 1.51Å | |
| N13 | C14 | sing | 1.41Å | 1.41Å | |
| N13 | C15 | sing | 1.41Å | 1.41Å | |
| C15 | O16 | doub | 1.24Å | 1.24Å | |
| C15 | C17 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.45Å | 1.45Å | |
| C18 | C19 | sing | 1.48Å | 1.48Å | |
| C18 | C20 | sing | 1.55Å | 1.55Å | |
| C18 | C21 | sing | 1.44Å | 1.44Å | |
| C21 | C22 | sing | 1.52Å | 1.52Å | |
| C22 | N23 | sing | 1.58Å | 1.58Å | |
| C22 | C24 | sing | 1.54Å | 1.54Å | |
| C24 | O25 | sing | 1.49Å | 1.49Å | |
| C24 | C26 | sing | 1.61Å | 1.61Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C27 | C28 | sing | 1.56Å | 1.56Å | |
| C27 | C29 | sing | 1.55Å | 1.55Å | |
| C29 | O30 | doub | 1.18Å | 1.18Å | |
| C29 | N31 | sing | 1.27Å | 1.27Å | |
| N31 | C32 | sing | 1.44Å | 1.44Å | |
| C32 | C33 | sing | 1.41Å | 1.41Å | |
| C33 | C34 | sing | 1.47Å | 1.47Å | |
| C34 | C35 | sing | 1.60Å | 1.60Å | |
| C1 | H1C1 | sing | 1.10Å | 1.10Å | |
| C1 | H1C2 | sing | 1.10Å | 1.10Å | |
| C1 | H1C3 | sing | 1.10Å | 1.10Å | |
| C5 | H5 | sing | 1.10Å | 1.10Å | |
| C6 | H6C1 | sing | 1.10Å | 1.10Å | |
| C6 | H6C2 | sing | 1.10Å | 1.10Å | |
| C14 | H141 | sing | 1.10Å | 1.10Å | |
| C14 | H142 | sing | 1.10Å | 1.10Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.10Å | 1.10Å | |
| C17 | H172 | sing | 1.10Å | 1.10Å | |
| C19 | H191 | sing | 1.10Å | 1.10Å | |
| C19 | H192 | sing | 1.10Å | 1.10Å | |
| C19 | H193 | sing | 1.10Å | 1.10Å | |
| C20 | H201 | sing | 1.10Å | 1.10Å | |
| C20 | H202 | sing | 1.10Å | 1.10Å | |
| C20 | H203 | sing | 1.10Å | 1.10Å | |
| C21 | H211 | sing | 1.10Å | 1.10Å | |
| C21 | H212 | sing | 1.10Å | 1.10Å | |
| C22 | H22 | sing | 1.10Å | 1.10Å | |
| N23 | H231 | sing | 1.00Å | 1.00Å | |
| N23 | H232 | sing | 1.00Å | 1.00Å | |
| C24 | H24 | sing | 1.10Å | 1.10Å | |
| O25 | H25 | sing | 0.95Å | 0.95Å | |
| C26 | H261 | sing | 1.10Å | 1.10Å | |
| C26 | H262 | sing | 1.10Å | 1.10Å | |
| C27 | H27 | sing | 1.10Å | 1.10Å | |
| C28 | H281 | sing | 1.10Å | 1.10Å | |
| C28 | H282 | sing | 1.10Å | 1.10Å | |
| C28 | H283 | sing | 1.10Å | 1.10Å | |
| N31 | H31 | sing | 1.00Å | 1.00Å | |
| C32 | H321 | sing | 1.10Å | 1.10Å | |
| C32 | H322 | sing | 1.10Å | 1.10Å | |
| C33 | H331 | sing | 1.10Å | 1.10Å | |
| C33 | H332 | sing | 1.10Å | 1.10Å | |
| C34 | H341 | sing | 1.10Å | 1.10Å | |
| C34 | H342 | sing | 1.10Å | 1.10Å | |
| C35 | H351 | sing | 1.10Å | 1.10Å | |
| C35 | H352 | sing | 1.10Å | 1.10Å | |
| C35 | H353 | sing | 1.10Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O2 | C3 | 110.3° | 110.3° |
| O2 | C1 | H1C1 | 109.5° | 109.5° |
| O2 | C1 | H1C2 | 109.4° | 109.4° |
| O2 | C1 | H1C3 | 109.5° | 109.5° |
| O2 | C3 | O4 | 116.8° | 116.8° |
| O2 | C3 | C5 | 125.3° | 125.3° |
| O4 | C3 | C5 | 117.9° | 117.9° |
| C3 | C5 | C6 | 96.5° | 96.5° |
| C3 | C5 | C14 | 101.0° | 101.0° |
| C3 | C5 | H5 | 120.4° | 120.4° |
| C6 | C5 | C14 | 104.5° | 104.5° |
| C5 | C6 | C7 | 110.5° | 110.5° |
| C6 | C5 | H5 | 117.6° | 117.6° |
| C5 | C6 | H6C1 | 109.1° | 109.1° |
| C5 | C6 | H6C2 | 108.9° | 108.9° |
| C5 | C14 | N13 | 110.8° | 110.8° |
| C14 | C5 | H5 | 114.0° | 114.0° |
| C5 | C14 | H141 | 109.0° | 109.0° |
| C5 | C14 | H142 | 108.7° | 108.7° |
| C6 | C7 | C8 | 122.8° | 122.8° |
| C6 | C7 | C12 | 117.6° | 117.6° |
| C7 | C6 | H6C1 | 109.1° | 109.1° |
| C7 | C6 | H6C2 | 108.9° | 108.9° |
| C8 | C7 | C12 | 118.8° | 118.8° |
| C7 | C8 | C9 | 117.4° | 117.4° |
| C7 | C8 | H8 | 121.3° | 121.3° |
| C7 | C12 | C11 | 120.8° | 120.8° |
| C7 | C12 | N13 | 114.3° | 114.3° |
| C8 | C9 | C10 | 123.6° | 123.6° |
| C9 | C8 | H8 | 121.3° | 121.3° |
| C8 | C9 | H9 | 118.2° | 118.2° |
| C9 | C10 | C11 | 119.0° | 119.0° |
| C10 | C9 | H9 | 118.2° | 118.2° |
| C9 | C10 | H10 | 120.5° | 120.5° |
| C10 | C11 | C12 | 119.9° | 119.9° |
| C11 | C10 | H10 | 120.5° | 120.5° |
| C10 | C11 | H11 | 120.1° | 120.1° |
| C11 | C12 | N13 | 124.7° | 124.7° |
| C12 | C11 | H11 | 120.1° | 120.1° |
| C12 | N13 | C14 | 121.9° | 121.9° |
| C12 | N13 | C15 | 120.5° | 120.5° |
| C14 | N13 | C15 | 117.6° | 117.6° |
| N13 | C14 | H141 | 109.1° | 109.1° |
| N13 | C14 | H142 | 108.7° | 108.7° |
| N13 | C15 | O16 | 120.0° | 120.0° |
| N13 | C15 | C17 | 120.3° | 120.3° |
| O16 | C15 | C17 | 119.5° | 119.5° |
| C15 | C17 | C18 | 105.3° | 105.3° |
| C15 | C17 | H171 | 110.9° | 110.9° |
| C15 | C17 | H172 | 111.8° | 111.8° |
| C17 | C18 | C19 | 113.4° | 113.4° |
| C17 | C18 | C20 | 114.5° | 114.5° |
| C17 | C18 | C21 | 107.3° | 107.3° |
| C18 | C17 | H171 | 110.9° | 110.9° |
| C18 | C17 | H172 | 111.8° | 111.8° |
| C19 | C18 | C20 | 105.4° | 105.4° |
| C19 | C18 | C21 | 107.2° | 107.2° |
| C18 | C19 | H191 | 109.5° | 109.5° |
| C18 | C19 | H192 | 109.4° | 109.4° |
| C18 | C19 | H193 | 109.4° | 109.4° |
| C20 | C18 | C21 | 108.9° | 108.9° |
| C18 | C20 | H201 | 109.5° | 109.5° |
| C18 | C20 | H202 | 109.5° | 109.5° |
| C18 | C20 | H203 | 109.4° | 109.4° |
| C18 | C21 | C22 | 107.5° | 107.5° |
| C18 | C21 | H211 | 110.2° | 110.2° |
| C18 | C21 | H212 | 110.6° | 110.6° |
| C21 | C22 | N23 | 103.2° | 103.2° |
| C21 | C22 | C24 | 112.6° | 112.6° |
| C22 | C21 | H211 | 110.1° | 110.1° |
| C22 | C21 | H212 | 110.6° | 110.6° |
| C21 | C22 | H22 | 110.6° | 110.6° |
| N23 | C22 | C24 | 106.6° | 106.6° |
| N23 | C22 | H22 | 116.3° | 116.3° |
| C22 | N23 | H231 | 109.5° | 109.5° |
| C22 | N23 | H232 | 109.4° | 109.5° |
| C22 | C24 | O25 | 96.3° | 96.3° |
| C22 | C24 | C26 | 102.7° | 102.7° |
| C24 | C22 | H22 | 107.5° | 107.5° |
| C22 | C24 | H24 | 122.4° | 122.4° |
| O25 | C24 | C26 | 112.8° | 112.8° |
| O25 | C24 | H24 | 113.7° | 113.7° |
| C24 | O25 | H25 | 109.5° | 109.5° |
| C24 | C26 | C27 | 105.7° | 105.7° |
| C26 | C24 | H24 | 108.3° | 108.3° |
| C24 | C26 | H261 | 110.7° | 110.7° |
| C24 | C26 | H262 | 111.5° | 111.5° |
| C26 | C27 | C28 | 108.2° | 108.2° |
| C26 | C27 | C29 | 106.4° | 106.4° |
| C27 | C26 | H261 | 110.8° | 110.8° |
| C27 | C26 | H262 | 111.6° | 111.6° |
| C26 | C27 | H27 | 117.4° | 117.4° |
| C28 | C27 | C29 | 121.3° | 121.3° |
| C28 | C27 | H27 | 101.0° | 101.0° |
| C27 | C28 | H281 | 109.5° | 109.5° |
| C27 | C28 | H282 | 109.5° | 109.5° |
| C27 | C28 | H283 | 109.5° | 109.5° |
| C27 | C29 | O30 | 121.3° | 121.3° |
| C27 | C29 | N31 | 121.9° | 121.9° |
| C29 | C27 | H27 | 103.0° | 103.0° |
| O30 | C29 | N31 | 116.7° | 116.7° |
| C29 | N31 | C32 | 126.2° | 126.2° |
| C29 | N31 | H31 | 116.9° | 116.9° |
| N31 | C32 | C33 | 105.6° | 105.6° |
| C32 | N31 | H31 | 116.9° | 116.9° |
| N31 | C32 | H321 | 110.8° | 110.8° |
| N31 | C32 | H322 | 111.6° | 111.6° |
| C32 | C33 | C34 | 105.2° | 105.2° |
| C33 | C32 | H321 | 110.8° | 110.8° |
| C33 | C32 | H322 | 111.6° | 111.6° |
| C32 | C33 | H331 | 110.9° | 110.9° |
| C32 | C33 | H332 | 111.9° | 111.9° |
| C33 | C34 | C35 | 99.4° | 99.4° |
| C34 | C33 | H331 | 111.0° | 111.0° |
| C34 | C33 | H332 | 111.9° | 111.9° |
| C33 | C34 | H341 | 113.0° | 113.0° |
| C33 | C34 | H342 | 115.0° | 115.0° |
| C35 | C34 | H341 | 113.0° | 113.0° |
| C35 | C34 | H342 | 115.0° | 115.0° |
| C34 | C35 | H351 | 109.5° | 109.5° |
| C34 | C35 | H352 | 109.5° | 109.5° |
| C34 | C35 | H353 | 109.5° | 109.5° |
| H1C1 | C1 | H1C2 | 109.5° | 109.5° |
| H1C1 | C1 | H1C3 | 109.4° | 109.4° |
| H1C2 | C1 | H1C3 | 109.5° | 109.5° |
| H6C1 | C6 | H6C2 | 110.3° | 110.3° |
| H141 | C14 | H142 | 110.5° | 110.5° |
| H171 | C17 | H172 | 106.3° | 106.3° |
| H191 | C19 | H192 | 109.4° | 109.4° |
| H191 | C19 | H193 | 109.5° | 109.5° |
| H192 | C19 | H193 | 109.5° | 109.5° |
| H201 | C20 | H202 | 109.4° | 109.4° |
| H201 | C20 | H203 | 109.4° | 109.4° |
| H202 | C20 | H203 | 109.5° | 109.5° |
| H211 | C21 | H212 | 107.9° | 107.9° |
| H231 | N23 | H232 | 109.5° | 109.5° |
| H261 | C26 | H262 | 106.6° | 106.6° |
| H281 | C28 | H282 | 109.5° | 109.5° |
| H281 | C28 | H283 | 109.4° | 109.4° |
| H282 | C28 | H283 | 109.5° | 109.5° |
| H321 | C32 | H322 | 106.6° | 106.6° |
| H331 | C33 | H332 | 106.2° | 106.2° |
| H341 | C34 | H342 | 102.0° | 102.0° |
| H351 | C35 | H352 | 109.5° | 109.5° |
| H351 | C35 | H353 | 109.4° | 109.4° |
| H352 | C35 | H353 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | O2 | C3 | O4 | 10.5° | 10.5° |
| C1 | O2 | C3 | C5 | 167.0° | 167.0° |
| O2 | C1 | H1C1 | H1C2 | 120.0° | 120.0° |
| O2 | C1 | H1C1 | H1C3 | 120.0° | 120.0° |
| O2 | C1 | H1C2 | H1C3 | 120.0° | 120.0° |
| O2 | C3 | O4 | C5 | 177.7° | 177.7° |
| O2 | C3 | C5 | C6 | 120.0° | 120.0° |
| O2 | C3 | C5 | C14 | 133.8° | 133.8° |
| C3 | O2 | C1 | H1C1 | 131.7° | 131.7° |
| C3 | O2 | C1 | H1C2 | 108.3° | 108.3° |
| C3 | O2 | C1 | H1C3 | 11.7° | 11.7° |
| O2 | C3 | C5 | H5 | 7.4° | 7.4° |
| O4 | C3 | C5 | C6 | 62.5° | 62.5° |
| O4 | C3 | C5 | C14 | 43.7° | 43.7° |
| O4 | C3 | C5 | H5 | 170.1° | 170.1° |
| C3 | C5 | C6 | C14 | 103.2° | 103.2° |
| C3 | C5 | C6 | H5 | 129.4° | 129.4° |
| C3 | C5 | C14 | H5 | 130.6° | 130.6° |
| C3 | C5 | C6 | C7 | 172.1° | 172.1° |
| C3 | C5 | C14 | N13 | 162.8° | 162.8° |
| C3 | C5 | C6 | H6C1 | 52.1° | 52.1° |
| C3 | C5 | C6 | H6C2 | 68.4° | 68.4° |
| C3 | C5 | C14 | H141 | 77.2° | 77.2° |
| C3 | C5 | C14 | H142 | 43.3° | 43.3° |
| C6 | C5 | C14 | H5 | 129.6° | 129.6° |
| C5 | C6 | C7 | H6C1 | 120.0° | 120.0° |
| C5 | C6 | C7 | H6C2 | 119.6° | 119.6° |
| C5 | C6 | C7 | C8 | 136.7° | 136.7° |
| C5 | C6 | C7 | C12 | 33.0° | 33.0° |
| C6 | C5 | C14 | N13 | 63.0° | 63.0° |
| C5 | C6 | H6C1 | H6C2 | 119.6° | 119.6° |
| C6 | C5 | C14 | H141 | 177.0° | 177.0° |
| C6 | C5 | C14 | H142 | 56.5° | 56.5° |
| C14 | C5 | C6 | C7 | 68.9° | 68.9° |
| C5 | C14 | N13 | C12 | 24.2° | 24.2° |
| C5 | C14 | N13 | H141 | 120.0° | 120.0° |
| C5 | C14 | N13 | H142 | 119.4° | 119.4° |
| C5 | C14 | N13 | C15 | 158.4° | 158.4° |
| C14 | C5 | C6 | H6C1 | 51.1° | 51.1° |
| C14 | C5 | C6 | H6C2 | 171.6° | 171.6° |
| C5 | C14 | H141 | H142 | 119.5° | 119.5° |
| C6 | C7 | C8 | C12 | 169.6° | 169.6° |
| C6 | C7 | C8 | C9 | 177.7° | 177.7° |
| C6 | C7 | C12 | C11 | 178.4° | 178.4° |
| C6 | C7 | C12 | N13 | 7.0° | 7.0° |
| C7 | C6 | C5 | H5 | 58.6° | 58.6° |
| C7 | C6 | H6C1 | H6C2 | 119.5° | 119.5° |
| C6 | C7 | C8 | H8 | 2.3° | 2.3° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 3.8° | 3.8° |
| C8 | C7 | C12 | C11 | 8.2° | 8.2° |
| C8 | C7 | C12 | N13 | 177.2° | 177.2° |
| C8 | C7 | C6 | H6C1 | 103.3° | 103.3° |
| C8 | C7 | C6 | H6C2 | 17.2° | 17.2° |
| C7 | C8 | C9 | H9 | 176.2° | 176.2° |
| C12 | C7 | C8 | C9 | 8.1° | 8.1° |
| C7 | C12 | C11 | C10 | 3.8° | 3.8° |
| C7 | C12 | C11 | N13 | 174.0° | 174.0° |
| C7 | C12 | N13 | C14 | 12.8° | 12.8° |
| C7 | C12 | N13 | C15 | 164.5° | 164.5° |
| C12 | C7 | C6 | H6C1 | 87.0° | 87.0° |
| C12 | C7 | C6 | H6C2 | 152.6° | 152.6° |
| C12 | C7 | C8 | H8 | 171.9° | 171.9° |
| C7 | C12 | C11 | H11 | 176.2° | 176.2° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.6° | 0.6° |
| C8 | C9 | C10 | H10 | 179.4° | 179.4° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 0.7° | 0.7° |
| C10 | C9 | C8 | H8 | 176.1° | 176.1° |
| C9 | C10 | C11 | H11 | 179.3° | 179.3° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | N13 | 177.8° | 177.8° |
| C11 | C10 | C9 | H9 | 179.4° | 179.4° |
| C11 | C12 | N13 | C14 | 172.9° | 172.9° |
| C11 | C12 | N13 | C15 | 9.8° | 9.8° |
| C12 | C11 | C10 | H10 | 179.3° | 179.3° |
| C12 | N13 | C14 | C15 | 177.4° | 177.4° |
| C12 | N13 | C15 | O16 | 2.0° | 2.0° |
| C12 | N13 | C15 | C17 | 173.7° | 173.7° |
| C12 | N13 | C14 | H141 | 144.2° | 144.2° |
| C12 | N13 | C14 | H142 | 95.2° | 95.2° |
| N13 | C12 | C11 | H11 | 2.2° | 2.2° |
| C14 | N13 | C15 | O16 | 175.5° | 175.5° |
| C14 | N13 | C15 | C17 | 8.9° | 8.9° |
| N13 | C14 | C5 | H5 | 66.7° | 66.7° |
| N13 | C14 | H141 | H142 | 119.5° | 119.5° |
| N13 | C15 | O16 | C17 | 175.7° | 175.7° |
| N13 | C15 | C17 | C18 | 125.0° | 125.0° |
| C15 | N13 | C14 | H141 | 38.4° | 38.4° |
| C15 | N13 | C14 | H142 | 82.1° | 82.1° |
| N13 | C15 | C17 | H171 | 5.0° | 5.0° |
| N13 | C15 | C17 | H172 | 113.4° | 113.4° |
| O16 | C15 | C17 | C18 | 50.7° | 50.7° |
| O16 | C15 | C17 | H171 | 170.7° | 170.7° |
| O16 | C15 | C17 | H172 | 70.9° | 70.9° |
| C15 | C17 | C18 | H171 | 120.0° | 120.0° |
| C15 | C17 | C18 | H172 | 121.6° | 121.6° |
| C15 | C17 | C18 | C19 | 52.6° | 52.6° |
| C15 | C17 | C18 | C20 | 68.3° | 68.3° |
| C15 | C17 | C18 | C21 | 170.8° | 170.8° |
| C15 | C17 | H171 | H172 | 121.7° | 121.7° |
| C17 | C18 | C19 | C20 | 125.9° | 125.9° |
| C17 | C18 | C19 | C21 | 118.2° | 118.2° |
| C17 | C18 | C20 | C21 | 120.0° | 120.0° |
| C17 | C18 | C21 | C22 | 58.2° | 58.2° |
| C18 | C17 | H171 | H172 | 121.7° | 121.7° |
| C17 | C18 | C19 | H191 | 155.8° | 155.8° |
| C17 | C18 | C19 | H192 | 84.2° | 84.2° |
| C17 | C18 | C19 | H193 | 35.8° | 35.8° |
| C17 | C18 | C20 | H201 | 23.6° | 23.6° |
| C17 | C18 | C20 | H202 | 143.6° | 143.6° |
| C17 | C18 | C20 | H203 | 96.4° | 96.4° |
| C17 | C18 | C21 | H211 | 178.2° | 178.2° |
| C17 | C18 | C21 | H212 | 62.6° | 62.6° |
| C19 | C18 | C20 | C21 | 114.7° | 114.7° |
| C19 | C18 | C21 | C22 | 179.7° | 179.7° |
| C19 | C18 | C17 | H171 | 67.4° | 67.4° |
| C19 | C18 | C17 | H172 | 174.2° | 174.2° |
| C18 | C19 | H191 | H192 | 120.0° | 120.0° |
| C18 | C19 | H191 | H193 | 120.0° | 120.0° |
| C18 | C19 | H192 | H193 | 120.0° | 120.0° |
| C19 | C18 | C20 | H201 | 101.7° | 101.7° |
| C19 | C18 | C20 | H202 | 18.3° | 18.3° |
| C19 | C18 | C20 | H203 | 138.3° | 138.3° |
| C19 | C18 | C21 | H211 | 59.7° | 59.7° |
| C19 | C18 | C21 | H212 | 59.5° | 59.5° |
| C20 | C18 | C21 | C22 | 66.2° | 66.2° |
| C20 | C18 | C17 | H171 | 171.7° | 171.7° |
| C20 | C18 | C17 | H172 | 53.2° | 53.2° |
| C20 | C18 | C19 | H191 | 78.2° | 78.2° |
| C20 | C18 | C19 | H192 | 41.8° | 41.8° |
| C20 | C18 | C19 | H193 | 161.7° | 161.7° |
| C18 | C20 | H201 | H202 | 120.0° | 120.0° |
| C18 | C20 | H201 | H203 | 120.0° | 120.0° |
| C18 | C20 | H202 | H203 | 120.0° | 120.0° |
| C20 | C18 | C21 | H211 | 53.8° | 53.8° |
| C20 | C18 | C21 | H212 | 173.0° | 173.0° |
| C18 | C21 | C22 | H211 | 120.0° | 120.0° |
| C18 | C21 | C22 | H212 | 120.8° | 120.8° |
| C18 | C21 | C22 | N23 | 103.5° | 103.5° |
| C18 | C21 | C22 | C24 | 141.9° | 141.9° |
| C21 | C18 | C17 | H171 | 50.8° | 50.8° |
| C21 | C18 | C17 | H172 | 67.6° | 67.6° |
| C21 | C18 | C19 | H191 | 37.6° | 37.6° |
| C21 | C18 | C19 | H192 | 157.6° | 157.6° |
| C21 | C18 | C19 | H193 | 82.4° | 82.4° |
| C21 | C18 | C20 | H201 | 143.6° | 143.6° |
| C21 | C18 | C20 | H202 | 96.4° | 96.4° |
| C21 | C18 | C20 | H203 | 23.6° | 23.6° |
| C18 | C21 | H211 | H212 | 120.9° | 120.8° |
| C18 | C21 | C22 | H22 | 21.6° | 21.6° |
| C21 | C22 | N23 | C24 | 118.8° | 118.8° |
| C21 | C22 | N23 | H22 | 121.4° | 121.4° |
| C21 | C22 | C24 | H22 | 122.1° | 122.1° |
| C21 | C22 | C24 | O25 | 78.3° | 78.3° |
| C21 | C22 | C24 | C26 | 166.6° | 166.6° |
| C22 | C21 | H211 | H212 | 120.8° | 120.8° |
| C21 | C22 | N23 | H231 | 70.1° | 70.1° |
| C21 | C22 | N23 | H232 | 49.9° | 49.9° |
| C21 | C22 | C24 | H24 | 45.0° | 45.0° |
| N23 | C22 | C24 | H22 | 125.4° | 125.4° |
| N23 | C22 | C24 | O25 | 34.2° | 34.2° |
| N23 | C22 | C24 | C26 | 80.9° | 80.9° |
| N23 | C22 | C21 | H211 | 136.5° | 136.5° |
| N23 | C22 | C21 | H212 | 17.3° | 17.3° |
| C22 | N23 | H231 | H232 | 120.0° | 120.0° |
| N23 | C22 | C24 | H24 | 157.5° | 157.5° |
| C22 | C24 | O25 | C26 | 106.6° | 106.6° |
| C22 | C24 | O25 | H24 | 129.6° | 129.6° |
| C22 | C24 | C26 | H24 | 130.8° | 130.8° |
| C22 | C24 | C26 | C27 | 174.6° | 174.6° |
| C24 | C22 | C21 | H211 | 21.9° | 21.9° |
| C24 | C22 | C21 | H212 | 97.2° | 97.3° |
| C24 | C22 | N23 | H231 | 48.8° | 48.7° |
| C24 | C22 | N23 | H232 | 168.8° | 168.8° |
| C22 | C24 | O25 | H25 | 110.0° | 110.0° |
| C22 | C24 | C26 | H261 | 54.6° | 54.6° |
| C22 | C24 | C26 | H262 | 63.9° | 63.9° |
| O25 | C24 | C26 | H24 | 126.7° | 126.7° |
| O25 | C24 | C26 | C27 | 72.2° | 72.2° |
| O25 | C24 | C22 | H22 | 159.5° | 159.5° |
| O25 | C24 | C26 | H261 | 47.8° | 47.8° |
| O25 | C24 | C26 | H262 | 166.4° | 166.4° |
| C24 | C26 | C27 | H261 | 120.0° | 120.0° |
| C24 | C26 | C27 | H262 | 121.4° | 121.4° |
| C24 | C26 | C27 | C28 | 157.0° | 157.0° |
| C24 | C26 | C27 | C29 | 71.1° | 71.1° |
| C26 | C24 | C22 | H22 | 44.4° | 44.4° |
| C26 | C24 | O25 | H25 | 143.4° | 143.4° |
| C24 | C26 | H261 | H262 | 121.5° | 121.5° |
| C24 | C26 | C27 | H27 | 43.6° | 43.6° |
| C26 | C27 | C28 | C29 | 123.3° | 123.3° |
| C26 | C27 | C28 | H27 | 124.0° | 124.0° |
| C26 | C27 | C29 | H27 | 124.1° | 124.1° |
| C26 | C27 | C29 | O30 | 12.4° | 12.4° |
| C26 | C27 | C29 | N31 | 164.4° | 164.4° |
| C27 | C26 | C24 | H24 | 54.6° | 54.6° |
| C27 | C26 | H261 | H262 | 121.5° | 121.5° |
| C26 | C27 | C28 | H281 | 133.5° | 133.5° |
| C26 | C27 | C28 | H282 | 13.5° | 13.5° |
| C26 | C27 | C28 | H283 | 106.5° | 106.5° |
| C28 | C27 | C29 | H27 | 111.7° | 111.7° |
| C28 | C27 | C29 | O30 | 111.7° | 111.7° |
| C28 | C27 | C29 | N31 | 71.5° | 71.5° |
| C28 | C27 | C26 | H261 | 37.0° | 37.0° |
| C28 | C27 | C26 | H262 | 81.6° | 81.6° |
| C27 | C28 | H281 | H282 | 120.0° | 120.0° |
| C27 | C28 | H281 | H283 | 120.0° | 120.0° |
| C27 | C28 | H282 | H283 | 120.0° | 120.0° |
| C27 | C29 | O30 | N31 | 177.0° | 177.0° |
| C27 | C29 | N31 | C32 | 165.8° | 165.8° |
| C29 | C27 | C26 | H261 | 168.9° | 168.9° |
| C29 | C27 | C26 | H262 | 50.3° | 50.3° |
| C29 | C27 | C28 | H281 | 103.2° | 103.2° |
| C29 | C27 | C28 | H282 | 136.8° | 136.8° |
| C29 | C27 | C28 | H283 | 16.8° | 16.8° |
| C27 | C29 | N31 | H31 | 14.2° | 14.2° |
| O30 | C29 | N31 | C32 | 11.1° | 11.1° |
| O30 | C29 | C27 | H27 | 136.6° | 136.6° |
| O30 | C29 | N31 | H31 | 168.9° | 168.9° |
| C29 | N31 | C32 | H31 | 180.0° | 180.0° |
| C29 | N31 | C32 | C33 | 50.8° | 50.8° |
| N31 | C29 | C27 | H27 | 40.3° | 40.3° |
| C29 | N31 | C32 | H321 | 170.8° | 170.8° |
| C29 | N31 | C32 | H322 | 70.6° | 70.6° |
| N31 | C32 | C33 | H321 | 120.0° | 120.0° |
| N31 | C32 | C33 | H322 | 121.5° | 121.5° |
| N31 | C32 | C33 | C34 | 146.9° | 146.9° |
| N31 | C32 | H321 | H322 | 121.6° | 121.6° |
| N31 | C32 | C33 | H331 | 93.0° | 93.0° |
| N31 | C32 | C33 | H332 | 25.3° | 25.3° |
| C32 | C33 | C34 | H331 | 120.0° | 120.0° |
| C32 | C33 | C34 | H332 | 121.6° | 121.6° |
| C32 | C33 | C34 | C35 | 69.1° | 69.1° |
| C33 | C32 | N31 | H31 | 129.2° | 129.2° |
| C33 | C32 | H321 | H322 | 121.6° | 121.6° |
| C32 | C33 | H331 | H332 | 121.7° | 121.7° |
| C32 | C33 | C34 | H341 | 170.9° | 170.9° |
| C32 | C33 | C34 | H342 | 54.3° | 54.3° |
| C33 | C34 | C35 | H341 | 120.0° | 120.0° |
| C33 | C34 | C35 | H342 | 123.4° | 123.4° |
| C34 | C33 | C32 | H321 | 26.9° | 26.9° |
| C34 | C33 | C32 | H322 | 91.6° | 91.6° |
| C34 | C33 | H331 | H332 | 121.8° | 121.8° |
| C33 | C34 | H341 | H342 | 124.0° | 124.0° |
| C33 | C34 | C35 | H351 | 22.9° | 22.9° |
| C33 | C34 | C35 | H352 | 143.0° | 143.0° |
| C33 | C34 | C35 | H353 | 97.0° | 97.0° |
| C35 | C34 | C33 | H331 | 50.9° | 50.9° |
| C35 | C34 | C33 | H332 | 169.3° | 169.3° |
| C35 | C34 | H341 | H342 | 124.0° | 124.0° |
| C34 | C35 | H351 | H352 | 120.0° | 120.0° |
| C34 | C35 | H351 | H353 | 120.0° | 120.0° |
| C34 | C35 | H352 | H353 | 120.0° | 120.0° |
| H1C1 | C1 | H1C2 | H1C3 | 120.0° | 120.0° |
| H5 | C5 | C6 | H6C1 | 178.6° | 178.6° |
| H5 | C5 | C6 | H6C2 | 61.0° | 61.0° |
| H5 | C5 | C14 | H141 | 53.3° | 53.3° |
| H5 | C5 | C14 | H142 | 173.9° | 173.9° |
| H8 | C8 | C9 | H9 | 3.9° | 3.9° |
| H9 | C9 | C10 | H10 | 0.6° | 0.6° |
| H10 | C10 | C11 | H11 | 0.7° | 0.7° |
| H191 | C19 | H192 | H193 | 120.0° | 120.0° |
| H201 | C20 | H202 | H203 | 120.0° | 120.0° |
| H211 | C21 | C22 | H22 | 98.4° | 98.4° |
| H212 | C21 | C22 | H22 | 142.4° | 142.4° |
| H22 | C22 | N23 | H231 | 168.6° | 168.5° |
| H22 | C22 | N23 | H232 | 71.4° | 71.4° |
| H22 | C22 | C24 | H24 | 77.1° | 77.1° |
| H24 | C24 | O25 | H25 | 19.7° | 19.7° |
| H24 | C24 | C26 | H261 | 174.6° | 174.6° |
| H24 | C24 | C26 | H262 | 66.9° | 66.9° |
| H261 | C26 | C27 | H27 | 76.4° | 76.4° |
| H262 | C26 | C27 | H27 | 165.0° | 165.0° |
| H27 | C27 | C28 | H281 | 9.5° | 9.5° |
| H27 | C27 | C28 | H282 | 110.5° | 110.5° |
| H27 | C27 | C28 | H283 | 129.5° | 129.5° |
| H281 | C28 | H282 | H283 | 120.0° | 120.0° |
| H31 | N31 | C32 | H321 | 9.2° | 9.2° |
| H31 | N31 | C32 | H322 | 109.4° | 109.4° |
| H321 | C32 | C33 | H331 | 147.0° | 147.0° |
| H321 | C32 | C33 | H332 | 94.7° | 94.7° |
| H322 | C32 | C33 | H331 | 28.4° | 28.4° |
| H322 | C32 | C33 | H332 | 146.7° | 146.7° |
| H331 | C33 | C34 | H341 | 69.1° | 69.1° |
| H331 | C33 | C34 | H342 | 174.3° | 174.3° |
| H332 | C33 | C34 | H341 | 49.2° | 49.2° |
| H332 | C33 | C34 | H342 | 67.3° | 67.3° |
| H341 | C34 | C35 | H351 | 97.1° | 97.1° |
| H341 | C34 | C35 | H352 | 22.9° | 22.9° |
| H341 | C34 | C35 | H353 | 142.9° | 142.9° |
| H342 | C34 | C35 | H351 | 146.4° | 146.4° |
| H342 | C34 | C35 | H352 | 93.6° | 93.6° |
| H342 | C34 | C35 | H353 | 26.4° | 26.4° |
| H351 | C35 | H352 | H353 | 120.0° | 120.0° |
