L95
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | C10 | sing | 1.53Å | 1.51Å | |
| O7 | C7 | sing | 1.43Å | 1.41Å | |
| O11 | C11 | sing | 1.43Å | 1.41Å | |
| C10 | C9 | sing | 1.51Å | 1.50Å | |
| C10 | C11 | sing | 1.53Å | 1.51Å | |
| C9 | C8 | doub | 1.31Å | 1.31Å | |
| C8 | C7 | sing | 1.51Å | 1.49Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C7 | C6 | sing | 1.53Å | 1.51Å | |
| C6 | C5 | sing | 1.53Å | 1.50Å | |
| C12 | C28 | sing | 1.53Å | 1.50Å | |
| C12 | C13 | sing | 1.51Å | 1.52Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C5 | O5 | sing | 1.45Å | 1.41Å | |
| C5 | C4 | sing | 1.53Å | 1.51Å | |
| C26 | C4 | sing | 1.53Å | 1.52Å | |
| C13 | C14 | doub | 1.31Å | 1.34Å | |
| C22 | C23 | sing | 1.51Å | 1.51Å | |
| C22 | C21 | doub | 1.31Å | 1.33Å | |
| O5 | C1 | sing | 1.35Å | 1.43Å | |
| C4 | C3 | sing | 1.53Å | 1.51Å | |
| C3 | C2 | sing | 1.53Å | 1.51Å | |
| C14 | C15 | sing | 1.51Å | 1.52Å | |
| C14 | C29 | sing | 1.51Å | 1.50Å | |
| C21 | C20 | sing | 1.51Å | 1.52Å | |
| C1 | O1 | doub | 1.21Å | 1.19Å | |
| C1 | C2 | sing | 1.51Å | 1.48Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C20 | C32 | sing | 1.53Å | 1.50Å | |
| C20 | C19 | sing | 1.53Å | 1.51Å | |
| C16 | C30 | sing | 1.53Å | 1.51Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| O19 | C19 | sing | 1.45Å | 1.42Å | |
| O19 | C33 | sing | 1.35Å | 1.44Å | |
| C18 | C17 | sing | 1.53Å | 1.51Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C18 | C31 | sing | 1.53Å | 1.51Å | |
| C17 | O17 | sing | 1.43Å | 1.41Å | |
| N33 | C33 | sing | 1.35Å | 1.32Å | |
| C33 | O33 | doub | 1.21Å | 1.20Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C2 | H022 | sing | 1.09Å | 1.10Å | |
| C2 | H021 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H223 | sing | 1.09Å | 1.10Å | |
| C24 | H243 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H263 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C27 | H273 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C28 | H283 | sing | 1.09Å | 1.10Å | |
| C29 | H293 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C30 | H303 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C31 | H313 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C32 | H333 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| N33 | H332 | sing | 0.97Å | 1.00Å | |
| N33 | H331 | sing | 0.97Å | 1.00Å | |
| O11 | H011 | sing | 0.97Å | 0.95Å | |
| O17 | H017 | sing | 0.97Å | 0.95Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C27 | C10 | C9 | 106.9° | 109.5° |
| C27 | C10 | C11 | 108.7° | 109.5° |
| C27 | C10 | H10 | 109.8° | 109.5° |
| C10 | C27 | H272 | 109.5° | 109.5° |
| C10 | C27 | H273 | 109.5° | 109.5° |
| C10 | C27 | H271 | 109.5° | 109.4° |
| O7 | C7 | C8 | 110.4° | 109.5° |
| O7 | C7 | C6 | 107.5° | 109.5° |
| O7 | C7 | H7 | 112.0° | 109.5° |
| C7 | O7 | HO7 | 109.5° | 114.0° |
| O11 | C11 | C10 | 108.6° | 109.5° |
| O11 | C11 | C12 | 109.2° | 109.4° |
| O11 | C11 | H11 | 109.2° | 109.5° |
| C11 | O11 | H011 | 109.5° | 114.0° |
| C9 | C10 | C11 | 111.5° | 109.5° |
| C10 | C9 | C8 | 124.5° | 120.0° |
| C10 | C9 | H9 | 117.7° | 120.0° |
| C9 | C10 | H10 | 110.1° | 109.5° |
| C10 | C11 | C12 | 114.1° | 109.5° |
| C10 | C11 | H11 | 107.8° | 109.5° |
| C11 | C10 | H10 | 109.8° | 109.4° |
| C9 | C8 | C7 | 125.4° | 120.0° |
| C9 | C8 | H8 | 117.3° | 120.0° |
| C8 | C9 | H9 | 117.8° | 120.0° |
| C8 | C7 | C6 | 105.5° | 109.5° |
| C8 | C7 | H7 | 110.7° | 109.5° |
| C7 | C8 | H8 | 117.3° | 120.0° |
| C11 | C12 | C28 | 106.9° | 109.5° |
| C11 | C12 | C13 | 109.2° | 109.5° |
| C12 | C11 | H11 | 107.8° | 109.5° |
| C11 | C12 | H12 | 110.3° | 109.4° |
| C7 | C6 | C5 | 113.0° | 109.5° |
| C7 | C6 | H61 | 108.6° | 109.5° |
| C7 | C6 | H62 | 108.6° | 109.5° |
| C6 | C7 | H7 | 110.5° | 109.5° |
| C6 | C5 | O5 | 103.1° | 109.6° |
| C6 | C5 | C4 | 115.2° | 109.5° |
| C6 | C5 | H5 | 108.4° | 109.6° |
| C5 | C6 | H61 | 108.6° | 109.4° |
| C5 | C6 | H62 | 108.6° | 109.5° |
| C28 | C12 | C13 | 109.5° | 109.5° |
| C28 | C12 | H12 | 110.6° | 109.4° |
| C12 | C28 | H281 | 109.5° | 109.5° |
| C12 | C28 | H282 | 109.5° | 109.4° |
| C12 | C28 | H283 | 109.5° | 109.4° |
| C12 | C13 | C14 | 126.2° | 120.0° |
| C13 | C12 | H12 | 110.3° | 109.5° |
| C12 | C13 | H13 | 116.9° | 120.0° |
| C24 | C23 | C22 | 110.5° | 109.5° |
| C24 | C23 | H231 | 109.2° | 109.4° |
| C24 | C23 | H223 | 109.2° | 109.5° |
| C23 | C24 | H243 | 109.5° | 109.4° |
| C23 | C24 | H242 | 109.5° | 109.5° |
| C23 | C24 | H241 | 109.5° | 109.4° |
| O5 | C5 | C4 | 112.0° | 109.2° |
| C5 | O5 | C1 | 120.4° | 115.7° |
| O5 | C5 | H5 | 109.6° | 109.5° |
| C5 | C4 | C26 | 113.8° | 109.5° |
| C5 | C4 | C3 | 107.8° | 109.3° |
| C5 | C4 | H4 | 109.3° | 109.5° |
| C4 | C5 | H5 | 108.3° | 109.5° |
| C26 | C4 | C3 | 107.4° | 109.5° |
| C26 | C4 | H4 | 109.2° | 109.5° |
| C4 | C26 | H262 | 109.5° | 109.5° |
| C4 | C26 | H263 | 109.5° | 109.5° |
| C4 | C26 | H261 | 109.5° | 109.4° |
| C13 | C14 | C15 | 125.7° | 120.0° |
| C13 | C14 | C29 | 119.5° | 120.0° |
| C14 | C13 | H13 | 116.9° | 120.0° |
| C23 | C22 | C21 | 124.2° | 120.0° |
| C23 | C22 | H22 | 117.9° | 120.0° |
| C22 | C23 | H231 | 109.2° | 109.5° |
| C22 | C23 | H223 | 109.2° | 109.5° |
| C22 | C21 | C20 | 122.8° | 120.0° |
| C22 | C21 | H21 | 118.6° | 120.0° |
| C21 | C22 | H22 | 117.9° | 120.0° |
| O5 | C1 | O1 | 117.3° | 121.0° |
| O5 | C1 | C2 | 119.8° | 118.1° |
| C4 | C3 | C2 | 116.2° | 108.9° |
| C3 | C4 | H4 | 109.3° | 109.5° |
| C4 | C3 | H31 | 107.8° | 109.6° |
| C4 | C3 | H32 | 107.8° | 109.5° |
| C3 | C2 | C1 | 113.0° | 108.4° |
| C2 | C3 | H31 | 107.8° | 109.6° |
| C2 | C3 | H32 | 107.8° | 109.5° |
| C3 | C2 | H022 | 108.6° | 109.6° |
| C3 | C2 | H021 | 108.6° | 109.7° |
| C15 | C14 | C29 | 114.8° | 120.0° |
| C14 | C15 | C16 | 117.1° | 109.5° |
| C14 | C15 | H152 | 107.5° | 109.5° |
| C14 | C15 | H151 | 107.5° | 109.5° |
| C14 | C29 | H293 | 109.5° | 109.5° |
| C14 | C29 | H291 | 109.4° | 109.5° |
| C14 | C29 | H292 | 109.5° | 109.5° |
| C21 | C20 | C32 | 110.0° | 109.4° |
| C21 | C20 | C19 | 110.3° | 109.5° |
| C21 | C20 | H20 | 108.8° | 109.5° |
| C20 | C21 | H21 | 118.6° | 120.0° |
| O1 | C1 | C2 | 122.9° | 121.0° |
| C1 | C2 | H022 | 108.6° | 109.7° |
| C1 | C2 | H021 | 108.6° | 109.7° |
| C15 | C16 | C30 | 108.1° | 109.5° |
| C15 | C16 | C17 | 118.5° | 109.5° |
| C16 | C15 | H152 | 107.5° | 109.4° |
| C16 | C15 | H151 | 107.5° | 109.5° |
| C15 | C16 | H16 | 107.6° | 109.4° |
| C32 | C20 | C19 | 109.8° | 109.4° |
| C32 | C20 | H20 | 109.0° | 109.5° |
| C20 | C32 | H333 | 109.5° | 109.4° |
| C20 | C32 | H321 | 109.5° | 109.4° |
| C20 | C32 | H322 | 109.5° | 109.5° |
| C20 | C19 | O19 | 104.6° | 109.5° |
| C20 | C19 | C18 | 111.5° | 109.5° |
| C20 | C19 | H19 | 110.2° | 109.5° |
| C19 | C20 | H20 | 108.9° | 109.5° |
| C30 | C16 | C17 | 107.0° | 109.5° |
| C30 | C16 | H16 | 107.7° | 109.5° |
| C16 | C30 | H303 | 109.5° | 109.5° |
| C16 | C30 | H301 | 109.4° | 109.5° |
| C16 | C30 | H302 | 109.5° | 109.4° |
| C16 | C17 | C18 | 114.3° | 109.5° |
| C16 | C17 | O17 | 107.2° | 109.5° |
| C17 | C16 | H16 | 107.5° | 109.5° |
| C16 | C17 | H17 | 108.7° | 109.5° |
| C19 | O19 | C33 | 122.1° | 117.0° |
| O19 | C19 | C18 | 108.8° | 109.4° |
| O19 | C19 | H19 | 111.6° | 109.5° |
| O19 | C33 | N33 | 117.8° | 120.1° |
| O19 | C33 | O33 | 121.8° | 120.0° |
| C17 | C18 | C19 | 115.3° | 109.5° |
| C17 | C18 | C31 | 110.8° | 109.5° |
| C18 | C17 | O17 | 107.5° | 109.5° |
| C18 | C17 | H17 | 108.8° | 109.5° |
| C17 | C18 | H18 | 107.6° | 109.5° |
| C19 | C18 | C31 | 107.7° | 109.5° |
| C19 | C18 | H18 | 107.4° | 109.5° |
| C18 | C19 | H19 | 110.0° | 109.5° |
| C31 | C18 | H18 | 107.7° | 109.5° |
| C18 | C31 | H312 | 109.5° | 109.5° |
| C18 | C31 | H313 | 109.5° | 109.5° |
| C18 | C31 | H311 | 109.5° | 109.5° |
| O17 | C17 | H17 | 110.2° | 109.5° |
| C17 | O17 | H017 | 109.5° | 114.1° |
| N33 | C33 | O33 | 120.4° | 119.9° |
| C33 | N33 | H332 | 120.0° | 120.0° |
| C33 | N33 | H331 | 120.0° | 120.0° |
| H61 | C6 | H62 | 109.4° | 109.4° |
| H31 | C3 | H32 | 109.5° | 109.7° |
| H152 | C15 | H151 | 109.5° | 109.5° |
| H022 | C2 | H021 | 109.5° | 109.7° |
| H231 | C23 | H223 | 109.4° | 109.5° |
| H243 | C24 | H242 | 109.5° | 109.5° |
| H243 | C24 | H241 | 109.4° | 109.4° |
| H242 | C24 | H241 | 109.5° | 109.6° |
| H262 | C26 | H263 | 109.5° | 109.5° |
| H262 | C26 | H261 | 109.5° | 109.4° |
| H263 | C26 | H261 | 109.5° | 109.5° |
| H272 | C27 | H273 | 109.4° | 109.5° |
| H272 | C27 | H271 | 109.5° | 109.5° |
| H273 | C27 | H271 | 109.5° | 109.5° |
| H281 | C28 | H282 | 109.4° | 109.5° |
| H281 | C28 | H283 | 109.4° | 109.5° |
| H282 | C28 | H283 | 109.5° | 109.5° |
| H293 | C29 | H291 | 109.4° | 109.4° |
| H293 | C29 | H292 | 109.5° | 109.4° |
| H291 | C29 | H292 | 109.5° | 109.5° |
| H303 | C30 | H301 | 109.5° | 109.5° |
| H303 | C30 | H302 | 109.5° | 109.5° |
| H301 | C30 | H302 | 109.5° | 109.4° |
| H312 | C31 | H313 | 109.5° | 109.4° |
| H312 | C31 | H311 | 109.4° | 109.5° |
| H313 | C31 | H311 | 109.5° | 109.5° |
| H333 | C32 | H321 | 109.4° | 109.5° |
| H333 | C32 | H322 | 109.5° | 109.5° |
| H321 | C32 | H322 | 109.5° | 109.5° |
| H332 | N33 | H331 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C27 | C10 | C11 | O11 | 62.6° | 180.0° |
| C27 | C10 | C9 | C11 | 118.7° | 120.0° |
| C27 | C10 | C9 | H10 | 119.2° | 120.1° |
| C27 | C10 | C11 | H10 | 120.1° | 120.0° |
| C27 | C10 | C9 | C8 | 95.5° | 112.7° |
| C27 | C10 | C11 | C12 | 175.4° | 60.0° |
| C27 | C10 | C11 | H11 | 55.6° | 60.0° |
| C27 | C10 | C9 | H9 | 84.6° | 67.3° |
| C10 | C27 | H272 | H273 | 120.0° | 120.0° |
| C10 | C27 | H272 | H271 | 120.0° | 120.0° |
| C10 | C27 | H273 | H271 | 120.0° | 119.9° |
| O7 | C7 | C8 | C9 | 109.4° | 126.2° |
| O7 | C7 | C8 | C6 | 115.8° | 120.0° |
| O7 | C7 | C8 | H7 | 124.7° | 120.0° |
| O7 | C7 | C6 | H7 | 122.5° | 120.0° |
| O7 | C7 | C6 | C5 | 62.8° | 65.0° |
| O7 | C7 | C6 | H61 | 57.8° | 175.0° |
| O7 | C7 | C6 | H62 | 176.7° | 55.0° |
| O7 | C7 | C8 | H8 | 70.6° | 53.8° |
| O11 | C11 | C10 | C9 | 55.0° | 60.0° |
| O11 | C11 | C10 | C12 | 122.0° | 120.0° |
| O11 | C11 | C10 | H11 | 118.3° | 120.0° |
| O11 | C11 | C12 | H11 | 118.6° | 120.0° |
| O11 | C11 | C12 | C28 | 54.0° | 55.0° |
| O11 | C11 | C12 | C13 | 172.3° | 65.0° |
| O11 | C11 | C10 | H10 | 177.2° | 60.0° |
| O11 | C11 | C12 | H12 | 66.3° | 175.0° |
| C9 | C10 | C11 | H10 | 122.3° | 120.0° |
| C10 | C9 | C8 | H9 | 180.0° | 180.0° |
| C10 | C9 | C8 | C7 | 1.4° | 7.4° |
| C9 | C10 | C11 | C12 | 67.1° | 180.0° |
| C9 | C10 | C11 | H11 | 173.2° | 60.0° |
| C10 | C9 | C8 | H8 | 178.6° | 172.6° |
| C9 | C10 | C27 | H272 | 180.0° | 60.0° |
| C9 | C10 | C27 | H273 | 60.0° | 60.0° |
| C9 | C10 | C27 | H271 | 60.0° | 180.0° |
| C11 | C10 | C9 | C8 | 145.9° | 127.3° |
| C10 | C11 | C12 | H11 | 119.7° | 120.0° |
| C10 | C11 | C12 | C28 | 175.7° | 65.0° |
| C10 | C11 | C12 | C13 | 66.0° | 175.0° |
| C11 | C10 | C9 | H9 | 34.1° | 52.6° |
| C10 | C11 | C12 | H12 | 55.4° | 55.0° |
| C11 | C10 | C27 | H272 | 59.5° | 60.0° |
| C11 | C10 | C27 | H273 | 60.4° | 180.0° |
| C11 | C10 | C27 | H271 | 179.5° | 60.0° |
| C10 | C11 | O11 | H011 | 180.0° | 60.0° |
| C9 | C8 | C7 | H8 | 180.0° | 180.0° |
| C9 | C8 | C7 | C6 | 134.7° | 113.8° |
| C9 | C8 | C7 | H7 | 15.2° | 6.2° |
| C8 | C9 | C10 | H10 | 23.7° | 7.3° |
| C8 | C7 | C6 | H7 | 119.7° | 120.0° |
| C8 | C7 | C6 | C5 | 179.4° | 175.0° |
| C8 | C7 | C6 | H61 | 60.0° | 55.0° |
| C8 | C7 | C6 | H62 | 58.9° | 64.9° |
| C7 | C8 | C9 | H9 | 178.6° | 172.7° |
| C8 | C7 | O7 | HO7 | 180.0° | 55.0° |
| C11 | C12 | C28 | C13 | 118.2° | 120.0° |
| C11 | C12 | C28 | H12 | 120.1° | 120.0° |
| C11 | C12 | C13 | H12 | 121.4° | 120.0° |
| C11 | C12 | C13 | C14 | 122.4° | 113.2° |
| C12 | C11 | C10 | H10 | 55.2° | 60.0° |
| C11 | C12 | C13 | H13 | 57.6° | 66.9° |
| C11 | C12 | C28 | H281 | 180.0° | 175.6° |
| C11 | C12 | C28 | H282 | 60.0° | 55.5° |
| C11 | C12 | C28 | H283 | 60.0° | 64.4° |
| C12 | C11 | O11 | H011 | 55.0° | 60.0° |
| C7 | C6 | C5 | H61 | 120.5° | 120.0° |
| C7 | C6 | C5 | H62 | 120.6° | 120.1° |
| C7 | C6 | C5 | O5 | 80.1° | 64.9° |
| C7 | C6 | C5 | C4 | 157.5° | 175.3° |
| C7 | C6 | C5 | H5 | 36.0° | 55.2° |
| C7 | C6 | H61 | H62 | 118.4° | 120.0° |
| C6 | C7 | C8 | H8 | 45.2° | 66.2° |
| C6 | C7 | O7 | HO7 | 65.4° | 65.0° |
| C6 | C5 | O5 | C4 | 124.5° | 120.0° |
| C6 | C5 | O5 | H5 | 115.3° | 120.2° |
| C6 | C5 | C4 | H5 | 121.5° | 120.2° |
| C6 | C5 | C4 | C26 | 66.4° | 62.1° |
| C6 | C5 | O5 | C1 | 168.5° | 173.1° |
| C6 | C5 | C4 | C3 | 174.6° | 177.9° |
| C6 | C5 | C4 | H4 | 55.9° | 58.0° |
| C5 | C6 | H61 | H62 | 118.4° | 120.0° |
| C5 | C6 | C7 | H7 | 59.7° | 54.9° |
| C28 | C12 | C13 | H12 | 121.9° | 120.0° |
| C28 | C12 | C13 | C14 | 120.9° | 126.8° |
| C28 | C12 | C11 | H11 | 64.6° | 175.0° |
| C28 | C12 | C13 | H13 | 59.1° | 53.2° |
| C12 | C28 | H281 | H282 | 120.0° | 120.0° |
| C12 | C28 | H281 | H283 | 120.0° | 120.0° |
| C12 | C28 | H282 | H283 | 120.0° | 119.9° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 1.0° | 3.4° |
| C12 | C13 | C14 | C29 | 179.8° | 176.5° |
| C13 | C12 | C11 | H11 | 53.7° | 54.9° |
| C13 | C12 | C28 | H281 | 61.8° | 64.4° |
| C13 | C12 | C28 | H282 | 178.2° | 175.5° |
| C13 | C12 | C28 | H283 | 58.2° | 55.6° |
| C24 | C23 | C22 | H231 | 120.2° | 120.0° |
| C24 | C23 | C22 | H223 | 120.2° | 120.0° |
| C24 | C23 | C22 | C21 | 138.9° | 127.6° |
| C24 | C23 | C22 | H22 | 41.1° | 52.4° |
| C24 | C23 | H231 | H223 | 119.5° | 120.0° |
| C23 | C24 | H243 | H242 | 120.0° | 120.0° |
| C23 | C24 | H243 | H241 | 120.0° | 119.9° |
| C23 | C24 | H242 | H241 | 120.0° | 120.0° |
| O5 | C5 | C4 | H5 | 121.0° | 119.9° |
| O5 | C5 | C4 | C26 | 176.2° | 177.9° |
| O5 | C5 | C4 | C3 | 57.1° | 57.9° |
| C5 | O5 | C1 | O1 | 155.3° | 129.3° |
| C5 | O5 | C1 | C2 | 23.9° | 50.7° |
| O5 | C5 | C4 | H4 | 61.6° | 62.0° |
| O5 | C5 | C6 | H61 | 159.3° | 55.0° |
| O5 | C5 | C6 | H62 | 40.4° | 175.0° |
| C5 | C4 | C26 | C3 | 119.2° | 119.9° |
| C5 | C4 | C26 | H4 | 122.3° | 120.0° |
| C4 | C5 | O5 | C1 | 44.1° | 53.2° |
| C5 | C4 | C3 | H4 | 118.7° | 119.9° |
| C5 | C4 | C3 | C2 | 54.6° | 60.0° |
| C4 | C5 | C6 | H61 | 37.0° | 64.7° |
| C4 | C5 | C6 | H62 | 81.9° | 55.2° |
| C5 | C4 | C3 | H31 | 66.4° | 59.9° |
| C5 | C4 | C3 | H32 | 175.5° | 179.7° |
| C5 | C4 | C26 | H262 | 180.0° | 59.9° |
| C5 | C4 | C26 | H263 | 60.0° | 60.1° |
| C5 | C4 | C26 | H261 | 60.0° | 179.9° |
| C26 | C4 | C3 | H4 | 118.3° | 120.1° |
| C26 | C4 | C3 | C2 | 177.5° | 179.9° |
| C26 | C4 | C5 | H5 | 55.1° | 58.0° |
| C26 | C4 | C3 | H31 | 56.6° | 60.1° |
| C26 | C4 | C3 | H32 | 61.5° | 60.3° |
| C4 | C26 | H262 | H263 | 120.0° | 120.1° |
| C4 | C26 | H262 | H261 | 120.0° | 120.0° |
| C4 | C26 | H263 | H261 | 120.0° | 120.0° |
| C13 | C14 | C15 | C29 | 179.3° | 180.0° |
| C13 | C14 | C15 | C16 | 105.5° | 94.5° |
| C14 | C13 | C12 | H12 | 1.0° | 6.8° |
| C13 | C14 | C15 | H152 | 133.4° | 145.6° |
| C13 | C14 | C15 | H151 | 15.6° | 25.5° |
| C13 | C14 | C29 | H293 | 180.0° | 90.0° |
| C13 | C14 | C29 | H291 | 60.0° | 30.0° |
| C13 | C14 | C29 | H292 | 60.0° | 150.1° |
| C23 | C22 | C21 | H22 | 180.0° | 180.0° |
| C23 | C22 | C21 | C20 | 0.6° | 7.6° |
| C23 | C22 | C21 | H21 | 179.4° | 172.4° |
| C22 | C23 | H231 | H223 | 119.5° | 120.0° |
| C22 | C23 | C24 | H243 | 180.0° | 60.0° |
| C22 | C23 | C24 | H242 | 60.0° | 60.0° |
| C22 | C23 | C24 | H241 | 60.0° | 179.9° |
| C22 | C21 | C20 | H21 | 180.0° | 180.0° |
| C22 | C21 | C20 | C32 | 99.4° | 121.3° |
| C22 | C21 | C20 | C19 | 139.3° | 118.8° |
| C22 | C21 | C20 | H20 | 19.8° | 1.3° |
| C21 | C22 | C23 | H231 | 100.9° | 112.4° |
| C21 | C22 | C23 | H223 | 18.7° | 7.6° |
| O5 | C1 | C2 | C3 | 17.9° | 49.4° |
| O5 | C1 | O1 | C2 | 179.2° | 180.0° |
| C1 | O5 | C5 | H5 | 76.2° | 66.7° |
| O5 | C1 | C2 | H022 | 138.4° | 169.1° |
| O5 | C1 | C2 | H021 | 102.6° | 70.4° |
| C4 | C3 | C2 | H31 | 120.9° | 119.9° |
| C4 | C3 | C2 | H32 | 121.0° | 119.8° |
| C4 | C3 | C2 | C1 | 35.2° | 52.7° |
| C3 | C4 | C5 | H5 | 63.9° | 61.9° |
| C4 | C3 | H31 | H32 | 117.0° | 120.3° |
| C4 | C3 | C2 | H022 | 155.7° | 172.4° |
| C4 | C3 | C2 | H021 | 85.3° | 67.1° |
| C3 | C4 | C26 | H262 | 60.8° | 59.9° |
| C3 | C4 | C26 | H263 | 59.2° | 180.0° |
| C3 | C4 | C26 | H261 | 179.2° | 60.0° |
| C3 | C2 | C1 | O1 | 161.3° | 130.6° |
| C3 | C2 | C1 | H022 | 120.5° | 119.6° |
| C3 | C2 | C1 | H021 | 120.5° | 119.8° |
| C2 | C3 | C4 | H4 | 64.1° | 60.0° |
| C2 | C3 | H31 | H32 | 117.0° | 120.3° |
| C3 | C2 | H022 | H021 | 118.4° | 120.5° |
| C14 | C15 | C16 | H152 | 121.1° | 120.0° |
| C14 | C15 | C16 | H151 | 121.1° | 120.0° |
| C14 | C15 | C16 | C30 | 53.5° | 65.5° |
| C14 | C15 | C16 | C17 | 175.3° | 174.4° |
| C15 | C14 | C13 | H13 | 179.0° | 176.5° |
| C14 | C15 | H152 | H151 | 116.5° | 120.0° |
| C14 | C15 | C16 | H16 | 62.6° | 54.4° |
| C15 | C14 | C29 | H293 | 0.7° | 90.0° |
| C15 | C14 | C29 | H291 | 120.7° | 150.0° |
| C15 | C14 | C29 | H292 | 119.3° | 29.9° |
| C29 | C14 | C15 | C16 | 75.2° | 85.6° |
| C29 | C14 | C13 | H13 | 0.2° | 3.5° |
| C29 | C14 | C15 | H152 | 45.9° | 34.4° |
| C29 | C14 | C15 | H151 | 163.7° | 154.4° |
| C14 | C29 | H293 | H291 | 120.0° | 120.0° |
| C14 | C29 | H293 | H292 | 120.0° | 120.0° |
| C14 | C29 | H291 | H292 | 120.0° | 120.1° |
| C21 | C20 | C32 | C19 | 121.6° | 120.0° |
| C21 | C20 | C32 | H20 | 119.1° | 120.0° |
| C21 | C20 | C19 | H20 | 119.3° | 120.0° |
| C21 | C20 | C19 | O19 | 55.8° | 60.0° |
| C21 | C20 | C19 | C18 | 61.6° | 180.0° |
| C21 | C20 | C19 | H19 | 175.9° | 60.0° |
| C20 | C21 | C22 | H22 | 179.4° | 172.4° |
| C21 | C20 | C32 | H333 | 180.0° | 60.0° |
| C21 | C20 | C32 | H321 | 60.0° | 180.0° |
| C21 | C20 | C32 | H322 | 60.0° | 60.0° |
| O1 | C1 | C2 | H022 | 40.8° | 10.9° |
| O1 | C1 | C2 | H021 | 78.2° | 109.6° |
| C1 | C2 | C3 | H31 | 85.7° | 67.2° |
| C1 | C2 | C3 | H32 | 156.2° | 172.4° |
| C1 | C2 | H022 | H021 | 118.4° | 120.6° |
| C15 | C16 | C30 | C17 | 128.7° | 120.0° |
| C15 | C16 | C30 | H16 | 116.0° | 119.9° |
| C15 | C16 | C17 | H16 | 122.1° | 120.0° |
| C15 | C16 | C17 | C18 | 49.5° | 175.7° |
| C15 | C16 | C17 | O17 | 168.6° | 64.3° |
| C16 | C15 | H152 | H151 | 116.6° | 120.0° |
| C15 | C16 | C17 | H17 | 72.3° | 55.7° |
| C15 | C16 | C30 | H303 | 180.0° | 65.0° |
| C15 | C16 | C30 | H301 | 60.0° | 175.0° |
| C15 | C16 | C30 | H302 | 60.0° | 55.0° |
| C32 | C20 | C19 | H20 | 119.3° | 120.0° |
| C32 | C20 | C19 | O19 | 65.6° | 180.0° |
| C32 | C20 | C19 | C18 | 177.0° | 60.0° |
| C32 | C20 | C19 | H19 | 54.6° | 60.0° |
| C32 | C20 | C21 | H21 | 80.5° | 58.7° |
| C20 | C32 | H333 | H321 | 120.0° | 119.9° |
| C20 | C32 | H333 | H322 | 120.0° | 120.0° |
| C20 | C32 | H321 | H322 | 120.0° | 120.0° |
| C20 | C19 | O19 | C18 | 119.2° | 120.0° |
| C20 | C19 | O19 | H19 | 119.2° | 120.0° |
| C20 | C19 | O19 | C33 | 114.3° | 139.4° |
| C20 | C19 | C18 | C17 | 56.6° | 174.5° |
| C20 | C19 | C18 | H19 | 122.6° | 120.0° |
| C20 | C19 | C18 | C31 | 179.1° | 65.5° |
| C20 | C19 | C18 | H18 | 63.3° | 54.5° |
| C19 | C20 | C21 | H21 | 40.8° | 61.2° |
| C19 | C20 | C32 | H333 | 58.4° | 180.0° |
| C19 | C20 | C32 | H321 | 61.6° | 60.1° |
| C19 | C20 | C32 | H322 | 178.4° | 60.0° |
| C30 | C16 | C17 | H16 | 115.5° | 120.0° |
| C30 | C16 | C17 | C18 | 171.8° | 64.3° |
| C30 | C16 | C17 | O17 | 69.1° | 55.7° |
| C30 | C16 | C15 | H152 | 174.6° | 174.5° |
| C30 | C16 | C15 | H151 | 67.6° | 54.5° |
| C30 | C16 | C17 | H17 | 50.1° | 175.7° |
| C16 | C30 | H303 | H301 | 120.0° | 120.0° |
| C16 | C30 | H303 | H302 | 120.0° | 120.0° |
| C16 | C30 | H301 | H302 | 120.0° | 119.9° |
| C16 | C17 | C18 | O17 | 118.9° | 120.0° |
| C16 | C17 | C18 | H17 | 121.7° | 120.0° |
| C16 | C17 | C18 | C19 | 173.2° | 67.0° |
| C16 | C17 | C18 | C31 | 64.2° | 173.1° |
| C16 | C17 | O17 | H17 | 118.2° | 120.0° |
| C17 | C16 | C15 | H152 | 63.6° | 54.4° |
| C17 | C16 | C15 | H151 | 54.2° | 65.6° |
| C16 | C17 | C18 | H18 | 53.3° | 53.1° |
| C17 | C16 | C30 | H303 | 51.3° | 175.0° |
| C17 | C16 | C30 | H301 | 68.7° | 55.0° |
| C17 | C16 | C30 | H302 | 171.3° | 65.0° |
| C16 | C17 | O17 | H017 | 180.0° | 60.0° |
| O19 | C19 | C18 | C17 | 171.5° | 65.5° |
| O19 | C19 | C18 | H19 | 122.6° | 120.0° |
| O19 | C19 | C18 | C31 | 64.2° | 54.5° |
| C19 | O19 | C33 | N33 | 172.3° | 176.1° |
| C19 | O19 | C33 | O33 | 7.8° | 3.9° |
| O19 | C19 | C18 | H18 | 51.5° | 174.5° |
| O19 | C19 | C20 | H20 | 175.1° | 60.0° |
| C33 | O19 | C19 | C18 | 126.5° | 100.6° |
| O19 | C33 | N33 | O33 | 179.8° | 180.0° |
| C33 | O19 | C19 | H19 | 4.9° | 19.4° |
| O19 | C33 | N33 | H332 | 179.8° | 179.9° |
| O19 | C33 | N33 | H331 | 0.1° | 0.0° |
| C17 | C18 | C19 | C31 | 124.3° | 120.0° |
| C17 | C18 | C19 | H18 | 120.0° | 120.0° |
| C17 | C18 | C31 | H18 | 117.4° | 120.0° |
| C18 | C17 | O17 | H17 | 118.5° | 120.0° |
| C18 | C17 | C16 | H16 | 72.7° | 55.7° |
| C17 | C18 | C19 | H19 | 66.0° | 54.5° |
| C17 | C18 | C31 | H312 | 180.0° | 55.1° |
| C17 | C18 | C31 | H313 | 60.0° | 175.0° |
| C17 | C18 | C31 | H311 | 60.0° | 65.0° |
| C18 | C17 | O17 | H017 | 56.7° | 60.0° |
| C19 | C18 | C31 | H18 | 115.6° | 120.0° |
| C19 | C18 | C17 | O17 | 67.9° | 173.1° |
| C19 | C18 | C17 | H17 | 51.5° | 53.1° |
| C18 | C19 | C20 | H20 | 57.7° | 60.0° |
| C19 | C18 | C31 | H312 | 53.0° | 175.0° |
| C19 | C18 | C31 | H313 | 67.0° | 65.0° |
| C19 | C18 | C31 | H311 | 173.0° | 55.0° |
| C31 | C18 | C17 | O17 | 54.7° | 53.1° |
| C31 | C18 | C17 | H17 | 174.1° | 66.9° |
| C31 | C18 | C19 | H19 | 58.3° | 174.4° |
| C18 | C31 | H312 | H313 | 120.0° | 120.0° |
| C18 | C31 | H312 | H311 | 120.0° | 120.0° |
| C18 | C31 | H313 | H311 | 120.0° | 120.1° |
| O17 | C17 | C16 | H16 | 46.4° | 175.7° |
| O17 | C17 | C18 | H18 | 172.2° | 66.9° |
| C33 | N33 | H332 | H331 | 180.0° | 179.9° |
| O33 | C33 | N33 | H332 | 0.0° | 0.1° |
| O33 | C33 | N33 | H331 | 180.0° | 180.0° |
| H4 | C4 | C5 | H5 | 177.4° | 178.1° |
| H4 | C4 | C3 | H31 | 174.9° | 179.8° |
| H4 | C4 | C3 | H32 | 56.8° | 59.8° |
| H4 | C4 | C26 | H262 | 57.7° | 180.0° |
| H4 | C4 | C26 | H263 | 177.6° | 59.9° |
| H4 | C4 | C26 | H261 | 62.3° | 60.1° |
| H5 | C5 | C6 | H61 | 84.5° | 175.2° |
| H5 | C5 | C6 | H62 | 156.6° | 64.9° |
| H61 | C6 | C7 | H7 | 179.7° | 65.0° |
| H62 | C6 | C7 | H7 | 60.8° | 175.0° |
| H11 | C11 | C10 | H10 | 64.5° | 180.0° |
| H11 | C11 | C12 | H12 | 175.1° | 65.0° |
| H11 | C11 | O11 | H011 | 62.6° | 180.0° |
| H7 | C7 | C8 | H8 | 164.7° | 173.8° |
| H7 | C7 | O7 | HO7 | 56.1° | 175.0° |
| H8 | C8 | C9 | H9 | 1.4° | 7.4° |
| H9 | C9 | C10 | H10 | 156.2° | 172.6° |
| H10 | C10 | C27 | H272 | 60.7° | 180.0° |
| H10 | C10 | C27 | H273 | 179.4° | 60.0° |
| H10 | C10 | C27 | H271 | 59.4° | 60.0° |
| H12 | C12 | C13 | H13 | 179.0° | 173.2° |
| H12 | C12 | C28 | H281 | 59.9° | 55.6° |
| H12 | C12 | C28 | H282 | 60.1° | 64.5° |
| H12 | C12 | C28 | H283 | 179.9° | 175.6° |
| H31 | C3 | C2 | H022 | 34.8° | 52.5° |
| H31 | C3 | C2 | H021 | 153.7° | 173.0° |
| H32 | C3 | C2 | H022 | 83.3° | 67.9° |
| H32 | C3 | C2 | H021 | 35.7° | 52.6° |
| H152 | C15 | C16 | H16 | 58.5° | 65.6° |
| H151 | C15 | C16 | H16 | 176.3° | 174.4° |
| H16 | C16 | C17 | H17 | 165.6° | 64.3° |
| H16 | C16 | C30 | H303 | 64.0° | 54.9° |
| H16 | C16 | C30 | H301 | 176.0° | 65.1° |
| H16 | C16 | C30 | H302 | 56.0° | 175.0° |
| H17 | C17 | C18 | H18 | 68.4° | 173.1° |
| H17 | C17 | O17 | H017 | 61.8° | 180.0° |
| H18 | C18 | C19 | H19 | 174.1° | 65.5° |
| H18 | C18 | C31 | H312 | 62.5° | 64.9° |
| H18 | C18 | C31 | H313 | 177.4° | 55.0° |
| H18 | C18 | C31 | H311 | 57.4° | 175.1° |
| H19 | C19 | C20 | H20 | 64.7° | 180.0° |
| H20 | C20 | C21 | H21 | 160.2° | 178.7° |
| H20 | C20 | C32 | H333 | 60.9° | 60.0° |
| H20 | C20 | C32 | H321 | 179.2° | 60.0° |
| H20 | C20 | C32 | H322 | 59.2° | NaN° |
| H21 | C21 | C22 | H22 | 0.7° | 7.6° |
| H22 | C22 | C23 | H231 | 79.1° | 67.6° |
| H22 | C22 | C23 | H223 | 161.3° | 172.4° |
| H231 | C23 | C24 | H243 | 59.8° | 180.0° |
| H231 | C23 | C24 | H242 | 60.2° | 60.0° |
| H231 | C23 | C24 | H241 | 179.8° | 60.1° |
| H223 | C23 | C24 | H243 | 59.8° | 60.0° |
| H223 | C23 | C24 | H242 | 179.9° | 180.0° |
| H223 | C23 | C24 | H241 | 60.1° | 59.9° |
| H243 | C24 | H242 | H241 | 119.9° | 120.0° |
| H262 | C26 | H263 | H261 | 120.0° | 120.0° |
| H272 | C27 | H273 | H271 | 119.9° | 120.0° |
| H281 | C28 | H282 | H283 | 119.9° | 120.0° |
| H293 | C29 | H291 | H292 | 120.0° | 119.9° |
| H303 | C30 | H301 | H302 | 120.0° | 120.0° |
| H312 | C31 | H313 | H311 | 120.0° | 120.0° |
| H333 | C32 | H321 | H322 | 120.0° | 120.1° |
