STD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.46Å | 1.42Å | |
| C1 | C3 | sing | 1.41Å | 1.42Å | |
| C1 | C5 | doub | 1.40Å | 1.43Å | |
| C2 | N1 | sing | 1.34Å | 1.40Å | |
| C2 | O2 | doub | 1.22Å | 1.22Å | |
| N1 | C4 | sing | 1.46Å | 1.50Å | |
| N1 | C20 | sing | 1.47Å | 1.47Å | |
| C3 | O1 | doub | 1.21Å | 1.23Å | |
| C3 | C20 | sing | 1.51Å | 1.59Å | |
| C4 | O4 | sing | 1.43Å | 1.48Å | |
| C4 | C12 | sing | 1.53Å | 1.60Å | |
| C4 | H4 | sing | 1.09Å | 1.12Å | |
| C5 | C6 | sing | 1.41Å | 1.36Å | |
| C5 | O3 | sing | 1.35Å | 1.38Å | |
| C6 | C7 | doub | 1.36Å | 1.34Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C7 | C8 | sing | 1.42Å | 1.34Å | |
| C7 | H7 | sing | 1.08Å | 1.10Å | |
| C8 | C9 | doub | 1.34Å | 1.39Å | |
| C8 | C11 | sing | 1.51Å | 1.55Å | |
| C9 | C10 | sing | 1.51Å | 1.52Å | |
| C9 | H9 | sing | 1.08Å | 1.10Å | |
| C10 | C13 | sing | 1.53Å | 1.56Å | |
| C10 | C14 | sing | 1.53Å | 1.58Å | |
| C10 | H10 | sing | 1.09Å | 1.12Å | |
| C11 | H111 | sing | 1.09Å | 1.12Å | |
| C11 | H112 | sing | 1.09Å | 1.11Å | |
| C11 | H113 | sing | 1.09Å | 1.11Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O4 | C25 | sing | 1.43Å | 1.50Å | |
| C12 | C15 | sing | 1.53Å | 1.21Å | |
| C12 | H121 | sing | 1.09Å | 1.11Å | |
| C12 | H122 | sing | 1.09Å | 1.11Å | |
| C13 | C16 | sing | 1.53Å | 1.67Å | |
| C13 | O5 | sing | 1.43Å | 1.61Å | |
| C13 | H13 | sing | 1.09Å | 1.11Å | |
| C14 | H141 | sing | 1.09Å | 1.12Å | |
| C14 | H142 | sing | 1.09Å | 1.11Å | |
| C14 | H143 | sing | 1.09Å | 1.12Å | |
| C15 | C26 | sing | 1.53Å | 1.62Å | |
| C15 | H151 | sing | 1.09Å | 1.11Å | |
| C15 | H152 | sing | 1.09Å | 1.12Å | |
| C16 | C17 | sing | 1.54Å | 1.29Å | |
| C16 | C18 | sing | 1.53Å | 1.25Å | |
| C16 | H16 | sing | 1.09Å | 1.11Å | |
| O5 | C19 | sing | 1.41Å | 1.18Å | |
| C17 | O8 | sing | 1.42Å | 1.52Å | |
| C17 | C30 | sing | 1.50Å | 1.64Å | |
| C17 | H17 | sing | 1.09Å | 1.11Å | |
| C18 | H181 | sing | 1.09Å | 1.11Å | |
| C18 | H182 | sing | 1.09Å | 1.11Å | |
| C18 | H183 | sing | 1.09Å | 1.12Å | |
| C19 | O8 | sing | 1.42Å | 1.53Å | |
| C19 | C28 | sing | 1.52Å | 1.62Å | |
| C19 | C29 | sing | 1.53Å | 1.55Å | |
| C20 | C21 | sing | 1.53Å | 1.68Å | |
| C20 | H20 | sing | 1.09Å | 1.11Å | |
| C21 | C22 | sing | 1.51Å | 1.62Å | |
| C21 | C23 | sing | 1.53Å | 1.21Å | |
| C21 | H21 | sing | 1.09Å | 1.12Å | |
| C22 | N2 | sing | 1.35Å | 1.43Å | |
| C22 | O6 | doub | 1.21Å | 1.21Å | |
| C23 | H231 | sing | 1.09Å | 1.12Å | |
| C23 | H232 | sing | 1.09Å | 1.12Å | |
| C23 | H233 | sing | 1.09Å | 1.11Å | |
| N2 | C24 | sing | 1.47Å | 1.45Å | |
| N2 | HN2 | sing | 0.97Å | 1.02Å | |
| C24 | H241 | sing | 1.09Å | 1.11Å | |
| C24 | H242 | sing | 1.09Å | 1.11Å | |
| C24 | H243 | sing | 1.09Å | 1.12Å | |
| C25 | C26 | sing | 1.53Å | 1.62Å | |
| C25 | C27 | sing | 1.53Å | 1.57Å | |
| C25 | H25 | sing | 1.09Å | 1.12Å | |
| C26 | O7 | sing | 1.43Å | 1.47Å | |
| C26 | H26 | sing | 1.09Å | 1.12Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å | |
| C27 | H271 | sing | 1.09Å | 1.12Å | |
| C27 | H272 | sing | 1.09Å | 1.12Å | |
| C27 | H273 | sing | 1.09Å | 1.11Å | |
| C28 | C31 | sing | 1.53Å | 1.52Å | |
| C28 | C32 | sing | 1.49Å | 1.52Å | |
| C28 | O9 | sing | 1.43Å | 1.52Å | |
| C29 | H291 | sing | 1.09Å | 1.12Å | |
| C29 | H292 | sing | 1.09Å | 1.11Å | |
| C29 | H293 | sing | 1.09Å | 1.11Å | |
| C30 | C32 | doub | 1.31Å | 1.40Å | |
| C30 | H30 | sing | 1.08Å | 1.10Å | |
| C31 | O9 | sing | 1.43Å | 1.53Å | |
| C31 | H311 | sing | 1.09Å | 1.12Å | |
| C31 | H312 | sing | 1.09Å | 1.11Å | |
| C32 | H32 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C3 | 102.7° | 108.4° |
| C2 | C1 | C5 | 134.7° | 125.8° |
| C1 | C2 | N1 | 118.4° | 110.6° |
| C1 | C2 | O2 | 123.0° | 124.7° |
| C3 | C1 | C5 | 122.6° | 125.8° |
| C1 | C3 | O1 | 127.4° | 127.1° |
| C1 | C3 | C20 | 109.2° | 105.8° |
| C1 | C5 | C6 | 124.7° | 120.0° |
| C1 | C5 | O3 | 118.2° | 120.0° |
| N1 | C2 | O2 | 118.6° | 124.7° |
| C2 | N1 | C4 | 126.1° | 125.5° |
| C2 | N1 | C20 | 103.3° | 109.0° |
| C4 | N1 | C20 | 130.6° | 125.5° |
| N1 | C4 | O4 | 109.6° | 109.4° |
| N1 | C4 | C12 | 110.8° | 109.4° |
| N1 | C4 | H4 | 108.9° | 109.4° |
| N1 | C20 | C3 | 104.0° | 106.2° |
| N1 | C20 | C21 | 114.6° | 110.1° |
| N1 | C20 | H20 | 110.4° | 110.1° |
| O1 | C3 | C20 | 123.4° | 127.1° |
| C3 | C20 | C21 | 111.3° | 110.2° |
| C3 | C20 | H20 | 113.9° | 110.1° |
| O4 | C4 | C12 | 110.7° | 109.7° |
| O4 | C4 | H4 | 108.9° | 109.4° |
| C4 | O4 | C25 | 115.6° | 107.6° |
| C12 | C4 | H4 | 107.8° | 109.4° |
| C4 | C12 | C15 | 116.1° | 109.0° |
| C4 | C12 | H121 | 109.8° | 109.6° |
| C4 | C12 | H122 | 109.8° | 109.5° |
| C6 | C5 | O3 | 117.1° | 120.0° |
| C5 | C6 | C7 | 127.0° | 120.0° |
| C5 | C6 | H6 | 117.4° | 119.9° |
| C5 | O3 | HO3 | 118.2° | 106.8° |
| C7 | C6 | H6 | 115.5° | 120.0° |
| C6 | C7 | C8 | 125.3° | 120.0° |
| C6 | C7 | H7 | 117.2° | 120.0° |
| C8 | C7 | H7 | 117.5° | 120.0° |
| C7 | C8 | C9 | 115.3° | 120.0° |
| C7 | C8 | C11 | 121.0° | 120.0° |
| C9 | C8 | C11 | 123.6° | 120.0° |
| C8 | C9 | C10 | 131.1° | 120.0° |
| C8 | C9 | H9 | 109.2° | 120.0° |
| C8 | C11 | H111 | 121.0° | 109.4° |
| C8 | C11 | H112 | 108.1° | 109.5° |
| C8 | C11 | H113 | 108.1° | 109.5° |
| C10 | C9 | H9 | 119.7° | 120.0° |
| C9 | C10 | C13 | 113.6° | 109.5° |
| C9 | C10 | C14 | 107.9° | 109.4° |
| C9 | C10 | H10 | 109.2° | 109.5° |
| C13 | C10 | C14 | 113.4° | 109.5° |
| C13 | C10 | H10 | 103.1° | 109.5° |
| C10 | C13 | C16 | 120.8° | 109.6° |
| C10 | C13 | O5 | 104.4° | 109.5° |
| C10 | C13 | H13 | 106.2° | 109.6° |
| C14 | C10 | H10 | 109.4° | 109.4° |
| C10 | C14 | H141 | 107.9° | 109.4° |
| C10 | C14 | H142 | 112.8° | 109.5° |
| C10 | C14 | H143 | 112.8° | 109.5° |
| H111 | C11 | H112 | 108.0° | 109.5° |
| H111 | C11 | H113 | 108.0° | 109.5° |
| H112 | C11 | H113 | 101.8° | 109.4° |
| O4 | C25 | C26 | 110.1° | 109.7° |
| O4 | C25 | C27 | 107.9° | 109.4° |
| O4 | C25 | H25 | 111.5° | 109.5° |
| C15 | C12 | H121 | 109.8° | 109.5° |
| C15 | C12 | H122 | 109.8° | 109.5° |
| C12 | C15 | C26 | 115.9° | 108.6° |
| C12 | C15 | H151 | 109.9° | 109.6° |
| C12 | C15 | H152 | 109.9° | 109.6° |
| H121 | C12 | H122 | 100.4° | 109.7° |
| C16 | C13 | O5 | 111.7° | 108.9° |
| C16 | C13 | H13 | 97.9° | 109.6° |
| C13 | C16 | C17 | 111.1° | 107.2° |
| C13 | C16 | C18 | 109.8° | 109.3° |
| C13 | C16 | H16 | 110.2° | 110.9° |
| O5 | C13 | H13 | 116.3° | 109.6° |
| C13 | O5 | C19 | 122.9° | 109.2° |
| H141 | C14 | H142 | 112.8° | 109.5° |
| H141 | C14 | H143 | 112.8° | 109.5° |
| H142 | C14 | H143 | 97.7° | 109.5° |
| C26 | C15 | H151 | 109.9° | 109.6° |
| C26 | C15 | H152 | 109.9° | 109.6° |
| C15 | C26 | C25 | 108.5° | 109.0° |
| C15 | C26 | O7 | 107.6° | 109.5° |
| C15 | C26 | H26 | 112.4° | 109.5° |
| H151 | C15 | H152 | 100.3° | 109.8° |
| C17 | C16 | C18 | 115.0° | 109.8° |
| C17 | C16 | H16 | 104.4° | 109.8° |
| C16 | C17 | O8 | 110.8° | 108.3° |
| C16 | C17 | C30 | 119.3° | 109.1° |
| C16 | C17 | H17 | 100.2° | 108.9° |
| C18 | C16 | H16 | 106.0° | 109.8° |
| C16 | C18 | H181 | 109.8° | 109.4° |
| C16 | C18 | H182 | 112.1° | 109.4° |
| C16 | C18 | H183 | 112.1° | 109.4° |
| O5 | C19 | O8 | 109.1° | 113.5° |
| O5 | C19 | C28 | 112.7° | 112.6° |
| O5 | C19 | C29 | 108.0° | 107.0° |
| O8 | C17 | C30 | 105.3° | 111.5° |
| O8 | C17 | H17 | 115.5° | 109.4° |
| C17 | O8 | C19 | 112.9° | 109.1° |
| C30 | C17 | H17 | 106.2° | 109.5° |
| C17 | C30 | C32 | 122.8° | 121.5° |
| C17 | C30 | H30 | 126.9° | 119.2° |
| H181 | C18 | H182 | 112.2° | 109.5° |
| H181 | C18 | H183 | 112.1° | 109.6° |
| H182 | C18 | H183 | 98.3° | 109.5° |
| O8 | C19 | C28 | 109.2° | 109.6° |
| O8 | C19 | C29 | 105.1° | 106.9° |
| C28 | C19 | C29 | 112.5° | 106.8° |
| C19 | C28 | C31 | 119.0° | 117.4° |
| C19 | C28 | C32 | 116.7° | 115.8° |
| C19 | C28 | O9 | 119.0° | 117.9° |
| C19 | C29 | H291 | 108.0° | 109.4° |
| C19 | C29 | H292 | 112.7° | 109.5° |
| C19 | C29 | H293 | 112.8° | 109.5° |
| C21 | C20 | H20 | 103.0° | 110.1° |
| C20 | C21 | C22 | 114.8° | 109.5° |
| C20 | C21 | C23 | 112.8° | 109.4° |
| C20 | C21 | H21 | 102.7° | 109.5° |
| C22 | C21 | C23 | 107.9° | 109.5° |
| C22 | C21 | H21 | 108.0° | 109.5° |
| C21 | C22 | N2 | 119.0° | 120.0° |
| C21 | C22 | O6 | 119.0° | 120.0° |
| C23 | C21 | H21 | 110.4° | 109.4° |
| C21 | C23 | H231 | 112.7° | 109.5° |
| C21 | C23 | H232 | 111.0° | 109.4° |
| C21 | C23 | H233 | 111.0° | 109.4° |
| N2 | C22 | O6 | 121.9° | 120.0° |
| C22 | N2 | C24 | 122.1° | 120.0° |
| C22 | N2 | HN2 | 118.2° | 120.0° |
| H231 | C23 | H232 | 111.0° | 109.5° |
| H231 | C23 | H233 | 111.0° | 109.5° |
| H232 | C23 | H233 | 99.4° | 109.5° |
| C24 | N2 | HN2 | 119.7° | 120.0° |
| N2 | C24 | H241 | 122.1° | 109.4° |
| N2 | C24 | H242 | 107.7° | 109.5° |
| N2 | C24 | H243 | 107.7° | 109.4° |
| H241 | C24 | H242 | 107.7° | 109.5° |
| H241 | C24 | H243 | 107.6° | 109.5° |
| H242 | C24 | H243 | 102.2° | 109.5° |
| C26 | C25 | C27 | 113.4° | 109.4° |
| C26 | C25 | H25 | 105.9° | 109.4° |
| C25 | C26 | O7 | 112.6° | 109.6° |
| C25 | C26 | H26 | 107.4° | 109.6° |
| C27 | C25 | H25 | 108.1° | 109.4° |
| C25 | C27 | H271 | 107.9° | 109.5° |
| C25 | C27 | H272 | 112.8° | 109.4° |
| C25 | C27 | H273 | 112.8° | 109.5° |
| O7 | C26 | H26 | 108.4° | 109.5° |
| C26 | O7 | HO7 | 107.6° | 106.8° |
| H271 | C27 | H272 | 112.8° | 109.4° |
| H271 | C27 | H273 | 112.9° | 109.5° |
| H272 | C27 | H273 | 97.7° | 109.5° |
| C31 | C28 | C32 | 116.4° | 117.7° |
| C31 | C28 | O9 | 60.3° | 57.8° |
| C28 | C31 | O9 | 60.1° | 57.5° |
| C28 | C31 | H311 | 135.0° | 117.8° |
| C28 | C31 | H312 | 135.0° | 117.8° |
| C32 | C28 | O9 | 113.5° | 118.0° |
| C28 | C32 | C30 | 120.7° | 118.9° |
| C28 | C32 | H32 | 123.8° | 120.7° |
| C28 | O9 | C31 | 59.6° | 64.7° |
| H291 | C29 | H292 | 112.7° | 109.5° |
| H291 | C29 | H293 | 112.7° | 109.4° |
| H292 | C29 | H293 | 97.7° | 109.5° |
| C32 | C30 | H30 | 110.3° | 119.3° |
| C30 | C32 | H32 | 115.5° | 120.5° |
| O9 | C31 | H311 | 134.9° | 117.8° |
| O9 | C31 | H312 | 134.9° | 117.7° |
| H311 | C31 | H312 | 70.6° | 115.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C3 | C5 | 179.7° | 179.9° |
| C1 | C2 | N1 | O2 | 179.2° | 180.0° |
| C1 | C2 | N1 | C4 | 164.8° | 180.0° |
| C1 | C2 | N1 | C20 | 15.4° | 0.0° |
| C2 | C1 | C3 | O1 | 179.1° | 180.0° |
| C2 | C1 | C3 | C20 | 2.8° | 0.1° |
| C2 | C1 | C5 | C6 | 1.9° | 0.1° |
| C2 | C1 | C5 | O3 | 178.1° | 180.0° |
| C3 | C1 | C2 | N1 | 7.9° | 0.1° |
| C3 | C1 | C2 | O2 | 172.9° | 180.0° |
| C1 | C3 | C20 | N1 | 11.4° | 0.1° |
| C1 | C3 | O1 | C20 | 177.9° | 179.9° |
| C3 | C1 | C5 | C6 | 177.6° | 180.0° |
| C3 | C1 | C5 | O3 | 2.4° | 0.1° |
| C1 | C3 | C20 | C21 | 112.5° | 119.1° |
| C1 | C3 | C20 | H20 | 131.7° | 119.3° |
| C5 | C1 | C2 | N1 | 172.4° | 180.0° |
| C5 | C1 | C2 | O2 | 6.8° | 0.1° |
| C5 | C1 | C3 | O1 | 1.3° | 0.1° |
| C5 | C1 | C3 | C20 | 176.9° | 180.0° |
| C1 | C5 | C6 | O3 | 180.0° | 179.9° |
| C1 | C5 | C6 | C7 | 118.1° | 174.4° |
| C1 | C5 | C6 | H6 | 62.0° | 5.6° |
| C1 | C5 | O3 | HO3 | 180.0° | 175.1° |
| C2 | N1 | C4 | C20 | 179.8° | 180.0° |
| C2 | N1 | C20 | C3 | 14.7° | 0.0° |
| C2 | N1 | C4 | O4 | 150.8° | 178.5° |
| C2 | N1 | C4 | C12 | 86.7° | 58.3° |
| C2 | N1 | C4 | H4 | 31.7° | 61.5° |
| C2 | N1 | C20 | C21 | 106.9° | 119.2° |
| C2 | N1 | C20 | H20 | 137.3° | 119.3° |
| O2 | C2 | N1 | C4 | 14.5° | 0.0° |
| O2 | C2 | N1 | C20 | 165.4° | 180.0° |
| C4 | N1 | C20 | C3 | 165.4° | 180.0° |
| N1 | C4 | O4 | C12 | 122.5° | 120.0° |
| N1 | C4 | O4 | H4 | 119.1° | 119.9° |
| N1 | C4 | C12 | H4 | 119.1° | 119.9° |
| N1 | C4 | O4 | C25 | 170.3° | 172.3° |
| N1 | C4 | C12 | C15 | 174.4° | 178.6° |
| N1 | C4 | C12 | H121 | 49.1° | 61.5° |
| N1 | C4 | C12 | H122 | 60.4° | 58.8° |
| C4 | N1 | C20 | C21 | 72.9° | 60.8° |
| C4 | N1 | C20 | H20 | 42.9° | 60.7° |
| N1 | C20 | C3 | O1 | 170.3° | 180.0° |
| N1 | C20 | C3 | C21 | 123.9° | 119.2° |
| N1 | C20 | C3 | H20 | 120.2° | 119.2° |
| C20 | N1 | C4 | O4 | 29.0° | 1.5° |
| C20 | N1 | C4 | C12 | 93.5° | 121.7° |
| C20 | N1 | C4 | H4 | 148.1° | 118.5° |
| N1 | C20 | C21 | H20 | 120.0° | 121.5° |
| N1 | C20 | C21 | C22 | 68.5° | 60.3° |
| N1 | C20 | C21 | C23 | 167.3° | 179.8° |
| N1 | C20 | C21 | H21 | 48.5° | 59.8° |
| O1 | C3 | C20 | C21 | 65.8° | 60.9° |
| O1 | C3 | C20 | H20 | 50.1° | 60.8° |
| C3 | C20 | C21 | H20 | 122.4° | 121.7° |
| C3 | C20 | C21 | C22 | 49.1° | 56.6° |
| C3 | C20 | C21 | C23 | 75.1° | 63.4° |
| C3 | C20 | C21 | H21 | 166.1° | 176.6° |
| O4 | C4 | C12 | H4 | 119.1° | 120.1° |
| O4 | C4 | C12 | C15 | 52.5° | 61.3° |
| O4 | C4 | C12 | H121 | 72.7° | 58.5° |
| O4 | C4 | C12 | H122 | 177.8° | 178.9° |
| C4 | O4 | C25 | C26 | 49.1° | 67.7° |
| C4 | O4 | C25 | C27 | 173.3° | 172.3° |
| C4 | O4 | C25 | H25 | 68.1° | 52.4° |
| C12 | C4 | O4 | C25 | 47.8° | 67.7° |
| C4 | C12 | C15 | H121 | 125.3° | 119.9° |
| C4 | C12 | C15 | H122 | 125.2° | 119.8° |
| C4 | C12 | H121 | H122 | 115.6° | 120.3° |
| C4 | C12 | C15 | C26 | 55.8° | 53.7° |
| C4 | C12 | C15 | H151 | 178.9° | 173.5° |
| C4 | C12 | C15 | H152 | 69.5° | 66.0° |
| H4 | C4 | O4 | C25 | 70.6° | 52.3° |
| H4 | C4 | C12 | C15 | 66.5° | 58.7° |
| H4 | C4 | C12 | H121 | 168.2° | 178.6° |
| H4 | C4 | C12 | H122 | 58.7° | 61.0° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 178.6° | 174.0° |
| C5 | C6 | C7 | H7 | 1.4° | 6.0° |
| C6 | C5 | O3 | HO3 | 0.0° | 4.8° |
| O3 | C5 | C6 | C7 | 61.9° | 5.5° |
| O3 | C5 | C6 | H6 | 118.0° | 174.5° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 110.7° | 180.0° |
| C6 | C7 | C8 | C11 | 67.7° | 0.1° |
| H6 | C6 | C7 | C8 | 1.3° | 6.0° |
| H6 | C6 | C7 | H7 | 178.7° | 174.0° |
| C7 | C8 | C9 | C11 | 178.4° | 179.9° |
| C7 | C8 | C9 | C10 | 179.9° | 171.9° |
| C7 | C8 | C9 | H9 | 0.2° | 8.0° |
| C7 | C8 | C11 | H111 | 180.0° | 180.0° |
| C7 | C8 | C11 | H112 | 54.8° | 60.0° |
| C7 | C8 | C11 | H113 | 54.8° | 59.9° |
| H7 | C7 | C8 | C9 | 69.3° | 0.1° |
| H7 | C7 | C8 | C11 | 112.3° | 180.0° |
| C8 | C9 | C10 | H9 | 180.0° | 179.9° |
| C8 | C9 | C10 | C13 | 66.6° | 129.1° |
| C8 | C9 | C10 | C14 | 166.7° | 110.9° |
| C8 | C9 | C10 | H10 | 47.9° | 9.1° |
| C9 | C8 | C11 | H111 | 1.7° | 0.1° |
| C9 | C8 | C11 | H112 | 123.5° | 120.1° |
| C9 | C8 | C11 | H113 | 127.0° | 120.0° |
| C11 | C8 | C9 | C10 | 1.8° | 8.2° |
| C11 | C8 | C9 | H9 | 178.2° | 171.9° |
| C8 | C11 | H111 | H112 | 125.3° | 120.0° |
| C8 | C11 | H111 | H113 | 125.3° | 120.1° |
| C8 | C11 | H112 | H113 | 113.8° | 120.0° |
| C9 | C10 | C13 | C14 | 123.7° | 120.0° |
| C9 | C10 | C13 | H10 | 118.1° | 120.1° |
| C9 | C10 | C14 | H10 | 118.7° | 120.0° |
| C9 | C10 | C13 | C16 | 95.3° | 63.4° |
| C9 | C10 | C13 | O5 | 138.0° | 56.1° |
| C9 | C10 | C13 | H13 | 14.5° | 176.4° |
| C9 | C10 | C14 | H141 | 180.0° | 175.2° |
| C9 | C10 | C14 | H142 | 54.8° | 55.1° |
| C9 | C10 | C14 | H143 | 54.7° | 64.9° |
| H9 | C9 | C10 | C13 | 113.3° | 50.8° |
| H9 | C9 | C10 | C14 | 13.3° | 69.2° |
| H9 | C9 | C10 | H10 | 132.1° | 170.8° |
| C13 | C10 | C14 | H10 | 114.5° | 120.0° |
| C10 | C13 | C16 | O5 | 123.3° | 119.8° |
| C10 | C13 | C16 | H13 | 114.2° | 120.3° |
| C10 | C13 | O5 | H13 | 116.6° | 120.2° |
| C13 | C10 | C14 | H141 | 53.3° | 64.8° |
| C13 | C10 | C14 | H142 | 178.5° | 175.2° |
| C13 | C10 | C14 | H143 | 72.0° | 55.2° |
| C10 | C13 | C16 | C17 | 152.3° | 178.2° |
| C10 | C13 | C16 | C18 | 79.4° | 62.8° |
| C10 | C13 | C16 | H16 | 37.0° | 58.3° |
| C10 | C13 | O5 | C19 | 158.3° | 178.9° |
| C14 | C10 | C13 | C16 | 28.4° | 176.7° |
| C14 | C10 | C13 | O5 | 98.3° | 63.9° |
| C14 | C10 | C13 | H13 | 138.2° | 56.4° |
| C10 | C14 | H141 | H142 | 125.2° | 120.0° |
| C10 | C14 | H141 | H143 | 125.2° | 120.0° |
| C10 | C14 | H142 | H143 | 118.7° | 120.0° |
| H10 | C10 | C13 | C16 | 146.6° | 56.7° |
| H10 | C10 | C13 | O5 | 19.9° | 176.2° |
| H10 | C10 | C13 | H13 | 103.6° | 63.6° |
| H10 | C10 | C14 | H141 | 61.3° | 55.1° |
| H10 | C10 | C14 | H142 | 64.0° | 64.9° |
| H10 | C10 | C14 | H143 | 173.5° | 175.1° |
| H111 | C11 | H112 | H113 | 113.7° | 120.0° |
| O4 | C25 | C26 | C15 | 45.8° | 61.3° |
| O4 | C25 | C26 | C27 | 121.0° | 120.0° |
| O4 | C25 | C26 | H25 | 120.7° | 120.1° |
| O4 | C25 | C27 | H25 | 120.7° | 119.9° |
| O4 | C25 | C26 | O7 | 73.2° | 58.6° |
| O4 | C25 | C26 | H26 | 167.5° | 178.9° |
| O4 | C25 | C27 | H271 | 180.0° | 179.7° |
| O4 | C25 | C27 | H272 | 54.7° | 59.8° |
| O4 | C25 | C27 | H273 | 54.7° | 60.2° |
| C15 | C12 | H121 | H122 | 115.6° | 120.2° |
| C12 | C15 | C26 | H151 | 125.3° | 119.8° |
| C12 | C15 | C26 | H152 | 125.3° | 119.7° |
| C12 | C15 | H151 | H152 | 115.7° | 120.5° |
| C12 | C15 | C26 | C25 | 53.2° | 53.7° |
| C12 | C15 | C26 | O7 | 68.8° | 66.3° |
| C12 | C15 | C26 | H26 | 171.9° | 173.6° |
| H121 | C12 | C15 | C26 | 69.5° | 66.2° |
| H121 | C12 | C15 | H151 | 55.8° | 53.6° |
| H121 | C12 | C15 | H152 | 165.3° | 174.1° |
| H122 | C12 | C15 | C26 | 179.0° | 173.5° |
| H122 | C12 | C15 | H151 | 53.7° | 66.7° |
| H122 | C12 | C15 | H152 | 55.8° | 53.8° |
| C16 | C13 | O5 | H13 | 111.2° | 119.9° |
| C13 | C16 | C17 | C18 | 125.5° | 118.6° |
| C13 | C16 | C17 | H16 | 118.8° | 120.5° |
| C13 | C16 | C18 | H16 | 119.0° | 121.8° |
| C16 | C13 | O5 | C19 | 26.1° | 59.1° |
| C13 | C16 | C17 | O8 | 49.6° | 58.8° |
| C13 | C16 | C17 | C30 | 72.8° | 62.8° |
| C13 | C16 | C17 | H17 | 172.0° | 177.8° |
| C13 | C16 | C18 | H181 | 180.0° | 171.5° |
| C13 | C16 | C18 | H182 | 54.7° | 68.6° |
| C13 | C16 | C18 | H183 | 54.8° | 51.4° |
| O5 | C13 | C16 | C17 | 28.9° | 58.4° |
| O5 | C13 | C16 | C18 | 157.3° | 177.3° |
| O5 | C13 | C16 | H16 | 86.3° | 61.5° |
| C13 | O5 | C19 | O8 | 40.5° | 62.2° |
| C13 | O5 | C19 | C28 | 80.9° | 63.1° |
| C13 | O5 | C19 | C29 | 154.2° | 179.8° |
| H13 | C13 | C16 | C17 | 93.5° | 61.5° |
| H13 | C13 | C16 | C18 | 34.8° | 57.4° |
| H13 | C13 | C16 | H16 | 151.2° | 178.6° |
| H13 | C13 | O5 | C19 | 85.1° | 60.8° |
| H141 | C14 | H142 | H143 | 118.8° | 120.0° |
| C26 | C15 | H151 | H152 | 115.7° | 120.4° |
| C15 | C26 | C25 | O7 | 119.0° | 119.9° |
| C15 | C26 | C25 | H26 | 121.7° | 119.9° |
| C15 | C26 | C25 | C27 | 166.8° | 178.7° |
| C15 | C26 | C25 | H25 | 74.9° | 58.8° |
| C15 | C26 | O7 | H26 | 121.8° | 120.1° |
| C15 | C26 | O7 | HO7 | 180.0° | 60.0° |
| H151 | C15 | C26 | C25 | 178.6° | 173.5° |
| H151 | C15 | C26 | O7 | 56.5° | 53.5° |
| H151 | C15 | C26 | H26 | 62.8° | 66.6° |
| H152 | C15 | C26 | C25 | 72.0° | 66.0° |
| H152 | C15 | C26 | O7 | 165.9° | 174.0° |
| H152 | C15 | C26 | H26 | 46.6° | 53.9° |
| C17 | C16 | C18 | H16 | 114.8° | 120.9° |
| C16 | C17 | O8 | C30 | 130.2° | 120.1° |
| C16 | C17 | O8 | H17 | 113.0° | 118.6° |
| C16 | C17 | C30 | H17 | 111.9° | 119.1° |
| C17 | C16 | C18 | H181 | 53.8° | 54.1° |
| C17 | C16 | C18 | H182 | 179.1° | 174.1° |
| C17 | C16 | C18 | H183 | 71.4° | 65.9° |
| C16 | C17 | O8 | C19 | 69.1° | 60.1° |
| C16 | C17 | C30 | C32 | 95.6° | 91.3° |
| C16 | C17 | C30 | H30 | 84.4° | 88.7° |
| C18 | C16 | C17 | O8 | 175.1° | 177.4° |
| C18 | C16 | C17 | C30 | 52.7° | 55.9° |
| C18 | C16 | C17 | H17 | 62.5° | 63.6° |
| C16 | C18 | H181 | H182 | 125.3° | 120.0° |
| C16 | C18 | H181 | H183 | 125.2° | 120.0° |
| C16 | C18 | H182 | H183 | 118.0° | 119.9° |
| H16 | C16 | C17 | O8 | 69.2° | 61.7° |
| H16 | C16 | C17 | C30 | 168.4° | 176.7° |
| H16 | C16 | C17 | H17 | 53.2° | 57.2° |
| H16 | C16 | C18 | H181 | 61.0° | 66.7° |
| H16 | C16 | C18 | H182 | 64.3° | 53.3° |
| H16 | C16 | C18 | H183 | 173.8° | 173.2° |
| O5 | C19 | O8 | C17 | 60.8° | 63.0° |
| O5 | C19 | O8 | C28 | 123.6° | 126.9° |
| O5 | C19 | O8 | C29 | 115.6° | 117.7° |
| O5 | C19 | C28 | C29 | 122.4° | 117.2° |
| O5 | C19 | C28 | C31 | 55.0° | 55.5° |
| O5 | C19 | C28 | C32 | 92.8° | 90.7° |
| O5 | C19 | C28 | O9 | 125.2° | 121.6° |
| O5 | C19 | C29 | H291 | 180.0° | 60.0° |
| O5 | C19 | C29 | H292 | 54.8° | 180.0° |
| O5 | C19 | C29 | H293 | 54.7° | 59.9° |
| O8 | C17 | C30 | H17 | 123.0° | 121.2° |
| C17 | O8 | C19 | C28 | 62.7° | 64.0° |
| C17 | O8 | C19 | C29 | 176.4° | 179.3° |
| O8 | C17 | C30 | C32 | 29.5° | 28.3° |
| O8 | C17 | C30 | H30 | 150.5° | 151.6° |
| C30 | C17 | O8 | C19 | 61.2° | 60.0° |
| C17 | C30 | C32 | C28 | 0.0° | 1.5° |
| C17 | C30 | C32 | H30 | 180.0° | 180.0° |
| C17 | C30 | C32 | H32 | 179.9° | 178.8° |
| H17 | C17 | O8 | C19 | 178.0° | 178.7° |
| H17 | C17 | C30 | C32 | 152.4° | 149.6° |
| H17 | C17 | C30 | H30 | 27.6° | 30.4° |
| H181 | C18 | H182 | H183 | 118.0° | 120.1° |
| O8 | C19 | C28 | C29 | 116.2° | 115.4° |
| O8 | C19 | C28 | C31 | 176.4° | 177.0° |
| O8 | C19 | C28 | C32 | 28.6° | 36.8° |
| O8 | C19 | C28 | O9 | 113.4° | 110.9° |
| O8 | C19 | C29 | H291 | 63.7° | 61.9° |
| O8 | C19 | C29 | H292 | 171.1° | 58.1° |
| O8 | C19 | C29 | H293 | 61.6° | 178.1° |
| C19 | C28 | C31 | C32 | 147.9° | 145.5° |
| C19 | C28 | C31 | O9 | 108.8° | 107.3° |
| C19 | C28 | C32 | O9 | 144.1° | 147.7° |
| C28 | C19 | C29 | H291 | 55.0° | 179.2° |
| C28 | C19 | C29 | H292 | 70.3° | 59.1° |
| C28 | C19 | C29 | H293 | 179.8° | 60.9° |
| C19 | C28 | C32 | C30 | 0.7° | 5.8° |
| C19 | C28 | C31 | H311 | 126.0° | 145.9° |
| C19 | C28 | C31 | H312 | 16.4° | 0.5° |
| C19 | C28 | C32 | H32 | 179.2° | 174.5° |
| C29 | C19 | C28 | C31 | 67.4° | 61.6° |
| C29 | C19 | C28 | C32 | 144.8° | 152.2° |
| C29 | C19 | C28 | O9 | 2.8° | 4.5° |
| C19 | C29 | H291 | H292 | 125.2° | 120.0° |
| C19 | C29 | H291 | H293 | 125.3° | 119.9° |
| C19 | C29 | H292 | H293 | 118.7° | 120.0° |
| C20 | C21 | C22 | C23 | 126.7° | 120.0° |
| C20 | C21 | C22 | H21 | 113.9° | 120.1° |
| C20 | C21 | C23 | H21 | 114.2° | 120.0° |
| C20 | C21 | C22 | N2 | 59.0° | 180.0° |
| C20 | C21 | C22 | O6 | 118.7° | 0.0° |
| C20 | C21 | C23 | H231 | 180.0° | 173.9° |
| C20 | C21 | C23 | H232 | 54.8° | 66.1° |
| C20 | C21 | C23 | H233 | 54.8° | 53.9° |
| H20 | C20 | C21 | C22 | 171.5° | 178.2° |
| H20 | C20 | C21 | C23 | 47.3° | 58.2° |
| H20 | C20 | C21 | H21 | 71.5° | 61.7° |
| C22 | C21 | C23 | H21 | 117.9° | 120.0° |
| C21 | C22 | N2 | O6 | 177.6° | 180.0° |
| C22 | C21 | C23 | H231 | 52.1° | 66.1° |
| C22 | C21 | C23 | H232 | 73.2° | 53.9° |
| C22 | C21 | C23 | H233 | 177.3° | 173.9° |
| C21 | C22 | N2 | C24 | 104.0° | 180.0° |
| C21 | C22 | N2 | HN2 | 76.1° | 0.0° |
| C23 | C21 | C22 | N2 | 67.7° | 60.0° |
| C23 | C21 | C22 | O6 | 114.6° | 120.0° |
| C21 | C23 | H231 | H232 | 125.2° | 120.0° |
| C21 | C23 | H231 | H233 | 125.2° | 120.0° |
| C21 | C23 | H232 | H233 | 116.9° | 119.9° |
| H21 | C21 | C22 | N2 | 172.9° | 60.0° |
| H21 | C21 | C22 | O6 | 4.8° | 120.0° |
| H21 | C21 | C23 | H231 | 65.8° | 53.8° |
| H21 | C21 | C23 | H232 | 169.0° | 173.9° |
| H21 | C21 | C23 | H233 | 59.5° | 66.2° |
| C22 | N2 | C24 | HN2 | 179.9° | 180.0° |
| C22 | N2 | C24 | H241 | 180.0° | 60.0° |
| C22 | N2 | C24 | H242 | 54.7° | 60.0° |
| C22 | N2 | C24 | H243 | 54.8° | 180.0° |
| O6 | C22 | N2 | C24 | 78.4° | 0.0° |
| O6 | C22 | N2 | HN2 | 101.5° | 180.0° |
| H231 | C23 | H232 | H233 | 116.9° | 120.1° |
| N2 | C24 | H241 | H242 | 125.3° | 120.0° |
| N2 | C24 | H241 | H243 | 125.2° | 119.9° |
| N2 | C24 | H242 | H243 | 113.3° | 120.0° |
| HN2 | N2 | C24 | H241 | 0.0° | 120.0° |
| HN2 | N2 | C24 | H242 | 125.3° | 120.0° |
| HN2 | N2 | C24 | H243 | 125.1° | 0.0° |
| H241 | C24 | H242 | H243 | 113.2° | 120.1° |
| C26 | C25 | C27 | H25 | 117.1° | 119.8° |
| C25 | C26 | O7 | H26 | 118.7° | 120.3° |
| C25 | C26 | O7 | HO7 | 60.5° | 179.6° |
| C26 | C25 | C27 | H271 | 57.8° | 60.1° |
| C26 | C25 | C27 | H272 | 176.9° | 180.0° |
| C26 | C25 | C27 | H273 | 67.5° | 60.0° |
| C27 | C25 | C26 | O7 | 47.7° | 61.4° |
| C27 | C25 | C26 | H26 | 71.5° | 58.8° |
| C25 | C27 | H271 | H272 | 125.2° | 119.9° |
| C25 | C27 | H271 | H273 | 125.3° | 120.0° |
| C25 | C27 | H272 | H273 | 118.7° | 120.0° |
| H25 | C25 | C26 | O7 | 166.1° | 178.7° |
| H25 | C25 | C26 | H26 | 46.9° | 61.0° |
| H25 | C25 | C27 | H271 | 59.2° | 59.8° |
| H25 | C25 | C27 | H272 | 66.0° | 60.1° |
| H25 | C25 | C27 | H273 | 175.5° | 179.9° |
| H26 | C26 | O7 | HO7 | 58.2° | 60.1° |
| H271 | C27 | H272 | H273 | 118.8° | 120.1° |
| C31 | C28 | C32 | O9 | 67.3° | 66.2° |
| C31 | C28 | C32 | C30 | 148.0° | 151.9° |
| C28 | C31 | O9 | H311 | 125.3° | 106.8° |
| C28 | C31 | O9 | H312 | 125.3° | 106.8° |
| C28 | C31 | H311 | H312 | 135.1° | 147.1° |
| C31 | C28 | C32 | H32 | 32.1° | 28.4° |
| C28 | C32 | C30 | H32 | 180.0° | 179.7° |
| C28 | C32 | C30 | H30 | 180.0° | 178.5° |
| C32 | C28 | C31 | H311 | 21.9° | 0.3° |
| C32 | C28 | C31 | H312 | 131.5° | 146.1° |
| O9 | C28 | C32 | C30 | 144.8° | 141.9° |
| O9 | C28 | C32 | H32 | 35.2° | 37.8° |
| H291 | C29 | H292 | H293 | 118.7° | 120.0° |
| H30 | C30 | C32 | H32 | 0.1° | 1.2° |
| O9 | C31 | H311 | H312 | 134.9° | 147.0° |
