BID
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5 | C18 | doub | 1.21Å | 1.22Å | |
| C18 | C16 | sing | 1.51Å | 1.50Å | |
| C18 | N2 | sing | 1.35Å | 1.32Å | |
| C16 | C17 | sing | 1.53Å | 1.55Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H173 | sing | 1.09Å | 1.10Å | |
| C15 | O4 | sing | 1.43Å | 1.42Å | |
| C15 | C14 | sing | 1.53Å | 1.54Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C14 | N1 | sing | 1.46Å | 1.46Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| N1 | C13 | sing | 1.35Å | 1.33Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C13 | O3 | doub | 1.21Å | 1.23Å | |
| C13 | C12 | sing | 1.51Å | 1.51Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C11 | C9 | sing | 1.53Å | 1.53Å | |
| C11 | O2 | sing | 1.43Å | 1.44Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H103 | sing | 1.09Å | 1.10Å | |
| C8 | C7 | sing | 1.53Å | 1.51Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| O2 | C6 | sing | 1.43Å | 1.43Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | C4 | sing | 1.51Å | 1.52Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C4 | O1 | doub | 1.21Å | 1.22Å | |
| C4 | C3 | sing | 1.46Å | 1.48Å | |
| C3 | C2 | doub | 1.33Å | 1.34Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C2 | C1 | sing | 1.51Å | 1.51Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C1 | H11A | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| N2 | C19 | sing | 1.47Å | 1.46Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | O6 | sing | 1.43Å | 1.42Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | C25 | sing | 1.53Å | 1.53Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H243 | sing | 1.09Å | 1.10Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C27 | O6 | sing | 1.43Å | 1.42Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C27 | O7 | sing | 1.43Å | 1.43Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C30 | C31 | sing | 1.53Å | 1.52Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C31 | O7 | sing | 1.43Å | 1.45Å | |
| C31 | C32 | sing | 1.53Å | 1.51Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C32 | C33 | sing | 1.53Å | 1.53Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C33 | C34 | sing | 1.53Å | 1.54Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C34 | C35 | sing | 1.53Å | 1.53Å | |
| C34 | C36 | sing | 1.51Å | 1.52Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C35 | H353 | sing | 1.09Å | 1.10Å | |
| C36 | C37 | doub | 1.31Å | 1.35Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C37 | C38 | sing | 1.51Å | 1.51Å | |
| C37 | C39 | sing | 1.51Å | 1.51Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C38 | H383 | sing | 1.09Å | 1.10Å | |
| C39 | C40 | sing | 1.53Å | 1.52Å | |
| C39 | O8 | sing | 1.43Å | 1.43Å | |
| C39 | H39 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| C40 | H403 | sing | 1.09Å | 1.10Å | |
| O8 | HO8 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5 | C18 | C16 | 118.8° | 120.0° |
| O5 | C18 | N2 | 123.4° | 120.0° |
| C16 | C18 | N2 | 117.8° | 120.0° |
| C18 | C16 | C17 | 108.5° | 109.5° |
| C18 | C16 | C15 | 112.5° | 109.5° |
| C18 | C16 | H16 | 109.6° | 109.5° |
| C18 | N2 | C19 | 124.3° | 120.0° |
| C18 | N2 | HN2 | 117.8° | 120.0° |
| C17 | C16 | C15 | 113.6° | 109.5° |
| C17 | C16 | H16 | 108.4° | 109.5° |
| C16 | C17 | H171 | 109.5° | 109.4° |
| C16 | C17 | H172 | 109.5° | 109.4° |
| C16 | C17 | H173 | 109.5° | 109.5° |
| C15 | C16 | H16 | 104.0° | 109.5° |
| C16 | C15 | O4 | 109.9° | 109.5° |
| C16 | C15 | C14 | 110.2° | 109.5° |
| C16 | C15 | H15 | 109.6° | 109.4° |
| H171 | C17 | H172 | 109.5° | 109.5° |
| H171 | C17 | H173 | 109.5° | 109.5° |
| H172 | C17 | H173 | 109.4° | 109.5° |
| O4 | C15 | C14 | 111.9° | 109.5° |
| O4 | C15 | H15 | 107.8° | 109.5° |
| C15 | O4 | HO4 | 109.5° | 106.8° |
| C14 | C15 | H15 | 107.4° | 109.4° |
| C15 | C14 | N1 | 112.0° | 109.5° |
| C15 | C14 | H141 | 108.0° | 109.4° |
| C15 | C14 | H142 | 108.6° | 109.4° |
| N1 | C14 | H141 | 108.1° | 109.5° |
| N1 | C14 | H142 | 108.6° | 109.5° |
| C14 | N1 | C13 | 124.9° | 120.0° |
| C14 | N1 | HN1 | 117.5° | 120.0° |
| H141 | C14 | H142 | 111.4° | 109.5° |
| C13 | N1 | HN1 | 117.6° | 120.0° |
| N1 | C13 | O3 | 120.0° | 120.0° |
| N1 | C13 | C12 | 118.3° | 120.0° |
| O3 | C13 | C12 | 121.6° | 120.0° |
| C13 | C12 | C11 | 111.5° | 109.5° |
| C13 | C12 | H121 | 108.4° | 109.5° |
| C13 | C12 | H122 | 108.8° | 109.5° |
| C11 | C12 | H121 | 108.3° | 109.5° |
| C11 | C12 | H122 | 108.8° | 109.4° |
| C12 | C11 | C9 | 112.3° | 109.5° |
| C12 | C11 | O2 | 109.6° | 109.4° |
| C12 | C11 | H11 | 107.8° | 109.5° |
| H121 | C12 | H122 | 111.1° | 109.5° |
| C9 | C11 | O2 | 110.3° | 109.7° |
| C9 | C11 | H11 | 107.0° | 109.4° |
| C11 | C9 | C10 | 112.2° | 109.6° |
| C11 | C9 | C8 | 111.5° | 109.0° |
| C11 | C9 | H9 | 106.6° | 109.6° |
| O2 | C11 | H11 | 109.8° | 109.4° |
| C11 | O2 | C6 | 119.3° | 107.6° |
| C10 | C9 | C8 | 110.9° | 109.5° |
| C10 | C9 | H9 | 107.4° | 109.6° |
| C9 | C10 | H101 | 109.4° | 109.5° |
| C9 | C10 | H102 | 109.4° | 109.4° |
| C9 | C10 | H103 | 109.5° | 109.5° |
| C8 | C9 | H9 | 108.0° | 109.5° |
| C9 | C8 | C7 | 109.9° | 108.6° |
| C9 | C8 | H81 | 109.3° | 109.6° |
| C9 | C8 | H82 | 109.3° | 109.6° |
| H101 | C10 | H102 | 109.5° | 109.5° |
| H101 | C10 | H103 | 109.4° | 109.5° |
| H102 | C10 | H103 | 109.5° | 109.5° |
| C7 | C8 | H81 | 109.2° | 109.6° |
| C7 | C8 | H82 | 109.4° | 109.6° |
| C8 | C7 | C6 | 111.7° | 109.0° |
| C8 | C7 | H71 | 108.3° | 109.5° |
| C8 | C7 | H72 | 108.8° | 109.6° |
| H81 | C8 | H82 | 109.8° | 109.8° |
| C6 | C7 | H71 | 108.3° | 109.6° |
| C6 | C7 | H72 | 108.7° | 109.6° |
| C7 | C6 | O2 | 111.1° | 109.8° |
| C7 | C6 | C5 | 108.1° | 109.4° |
| C7 | C6 | H6 | 109.0° | 109.4° |
| H71 | C7 | H72 | 111.1° | 109.7° |
| O2 | C6 | C5 | 108.6° | 109.4° |
| O2 | C6 | H6 | 108.5° | 109.5° |
| C5 | C6 | H6 | 111.5° | 109.4° |
| C6 | C5 | C4 | 112.6° | 109.5° |
| C6 | C5 | H51 | 107.8° | 109.5° |
| C6 | C5 | H52 | 108.4° | 109.5° |
| C4 | C5 | H51 | 107.7° | 109.5° |
| C4 | C5 | H52 | 108.4° | 109.4° |
| C5 | C4 | O1 | 119.6° | 120.0° |
| C5 | C4 | C3 | 122.2° | 120.0° |
| H51 | C5 | H52 | 111.9° | 109.5° |
| O1 | C4 | C3 | 118.2° | 120.0° |
| C4 | C3 | C2 | 123.1° | 120.0° |
| C4 | C3 | H3 | 118.5° | 120.0° |
| C2 | C3 | H3 | 118.5° | 120.0° |
| C3 | C2 | C1 | 120.1° | 120.0° |
| C3 | C2 | H2 | 119.9° | 120.0° |
| C1 | C2 | H2 | 120.0° | 120.0° |
| C2 | C1 | H11A | 109.4° | 109.5° |
| C2 | C1 | H12 | 109.5° | 109.5° |
| C2 | C1 | H13 | 109.5° | 109.4° |
| H11A | C1 | H12 | 109.5° | 109.5° |
| H11A | C1 | H13 | 109.5° | 109.5° |
| H12 | C1 | H13 | 109.5° | 109.5° |
| C19 | N2 | HN2 | 117.9° | 120.0° |
| N2 | C19 | C20 | 108.0° | 109.4° |
| N2 | C19 | H191 | 110.3° | 109.5° |
| N2 | C19 | H192 | 109.9° | 109.5° |
| C20 | C19 | H191 | 110.3° | 109.5° |
| C20 | C19 | H192 | 110.0° | 109.5° |
| C19 | C20 | C21 | 111.8° | 109.5° |
| C19 | C20 | H201 | 108.2° | 109.5° |
| C19 | C20 | H202 | 108.7° | 109.5° |
| H191 | C19 | H192 | 108.4° | 109.5° |
| C21 | C20 | H201 | 108.2° | 109.5° |
| C21 | C20 | H202 | 108.7° | 109.5° |
| C20 | C21 | C22 | 109.8° | 109.5° |
| C20 | C21 | H211 | 109.3° | 109.5° |
| C20 | C21 | H212 | 109.3° | 109.5° |
| H201 | C20 | H202 | 111.3° | 109.5° |
| C22 | C21 | H211 | 109.3° | 109.5° |
| C22 | C21 | H212 | 109.4° | 109.5° |
| C21 | C22 | C23 | 114.2° | 109.4° |
| C21 | C22 | O6 | 105.1° | 109.4° |
| C21 | C22 | H22 | 109.0° | 109.4° |
| H211 | C21 | H212 | 109.8° | 109.5° |
| C23 | C22 | O6 | 108.3° | 109.8° |
| C23 | C22 | H22 | 105.8° | 109.4° |
| C22 | C23 | C24 | 111.7° | 109.5° |
| C22 | C23 | C25 | 108.3° | 109.0° |
| C22 | C23 | H23 | 110.2° | 109.6° |
| O6 | C22 | H22 | 114.8° | 109.4° |
| C22 | O6 | C27 | 116.8° | 107.6° |
| C24 | C23 | C25 | 113.5° | 109.6° |
| C24 | C23 | H23 | 104.7° | 109.6° |
| C23 | C24 | H241 | 109.5° | 109.5° |
| C23 | C24 | H242 | 109.4° | 109.5° |
| C23 | C24 | H243 | 109.5° | 109.5° |
| C25 | C23 | H23 | 108.3° | 109.5° |
| C23 | C25 | C26 | 111.1° | 108.6° |
| C23 | C25 | H251 | 108.5° | 109.6° |
| C23 | C25 | H252 | 108.9° | 109.6° |
| H241 | C24 | H242 | 109.5° | 109.5° |
| H241 | C24 | H243 | 109.5° | 109.5° |
| H242 | C24 | H243 | 109.5° | 109.5° |
| C26 | C25 | H251 | 108.5° | 109.6° |
| C26 | C25 | H252 | 108.9° | 109.6° |
| C25 | C26 | C27 | 110.9° | 109.0° |
| C25 | C26 | H261 | 108.7° | 109.6° |
| C25 | C26 | H262 | 109.0° | 109.5° |
| H251 | C25 | H252 | 110.8° | 109.8° |
| C27 | C26 | H261 | 108.7° | 109.5° |
| C27 | C26 | H262 | 109.0° | 109.6° |
| C26 | C27 | O6 | 105.9° | 109.7° |
| C26 | C27 | C28 | 112.4° | 109.3° |
| C26 | C27 | O7 | 110.0° | 109.4° |
| H261 | C26 | H262 | 110.6° | 109.6° |
| O6 | C27 | C28 | 106.2° | 109.4° |
| O6 | C27 | O7 | 113.4° | 109.5° |
| C28 | C27 | O7 | 109.1° | 109.6° |
| C27 | C28 | C29 | 112.2° | 109.0° |
| C27 | C28 | H281 | 108.0° | 109.5° |
| C27 | C28 | H282 | 108.6° | 109.6° |
| C27 | O7 | C31 | 113.3° | 107.6° |
| C29 | C28 | H281 | 108.0° | 109.5° |
| C29 | C28 | H282 | 108.6° | 109.6° |
| C28 | C29 | C30 | 108.6° | 108.6° |
| C28 | C29 | H291 | 109.9° | 109.6° |
| C28 | C29 | H292 | 109.8° | 109.6° |
| H281 | C28 | H282 | 111.6° | 109.6° |
| C30 | C29 | H291 | 110.0° | 109.6° |
| C30 | C29 | H292 | 109.8° | 109.6° |
| C29 | C30 | C31 | 108.5° | 109.0° |
| C29 | C30 | H301 | 110.1° | 109.6° |
| C29 | C30 | H302 | 109.8° | 109.6° |
| H291 | C29 | H292 | 108.8° | 109.7° |
| C31 | C30 | H301 | 110.0° | 109.5° |
| C31 | C30 | H302 | 109.8° | 109.5° |
| C30 | C31 | O7 | 109.7° | 109.8° |
| C30 | C31 | C32 | 110.3° | 109.5° |
| C30 | C31 | H31 | 108.2° | 109.4° |
| H301 | C30 | H302 | 108.7° | 109.6° |
| O7 | C31 | C32 | 107.7° | 109.4° |
| O7 | C31 | H31 | 110.8° | 109.4° |
| C32 | C31 | H31 | 110.1° | 109.4° |
| C31 | C32 | C33 | 112.6° | 109.5° |
| C31 | C32 | H321 | 107.8° | 109.5° |
| C31 | C32 | H322 | 108.5° | 109.5° |
| C33 | C32 | H321 | 107.7° | 109.5° |
| C33 | C32 | H322 | 108.4° | 109.5° |
| C32 | C33 | C34 | 113.4° | 109.5° |
| C32 | C33 | H331 | 107.3° | 109.5° |
| C32 | C33 | H332 | 108.2° | 109.5° |
| H321 | C32 | H322 | 111.9° | 109.5° |
| C34 | C33 | H331 | 107.3° | 109.5° |
| C34 | C33 | H332 | 108.2° | 109.5° |
| C33 | C34 | C35 | 112.9° | 109.5° |
| C33 | C34 | C36 | 109.4° | 109.5° |
| C33 | C34 | H34 | 107.2° | 109.5° |
| H331 | C33 | H332 | 112.6° | 109.4° |
| C35 | C34 | C36 | 109.5° | 109.5° |
| C35 | C34 | H34 | 107.0° | 109.4° |
| C34 | C35 | H351 | 109.5° | 109.5° |
| C34 | C35 | H352 | 109.5° | 109.5° |
| C34 | C35 | H353 | 109.5° | 109.4° |
| C36 | C34 | H34 | 110.7° | 109.5° |
| C34 | C36 | C37 | 124.8° | 120.0° |
| C34 | C36 | H36 | 117.6° | 120.0° |
| H351 | C35 | H352 | 109.5° | 109.5° |
| H351 | C35 | H353 | 109.4° | 109.5° |
| H352 | C35 | H353 | 109.5° | 109.5° |
| C37 | C36 | H36 | 117.6° | 120.0° |
| C36 | C37 | C38 | 124.0° | 120.0° |
| C36 | C37 | C39 | 119.9° | 120.0° |
| C38 | C37 | C39 | 116.1° | 120.0° |
| C37 | C38 | H381 | 109.5° | 109.5° |
| C37 | C38 | H382 | 109.4° | 109.4° |
| C37 | C38 | H383 | 109.5° | 109.5° |
| C37 | C39 | C40 | 109.6° | 109.5° |
| C37 | C39 | O8 | 109.1° | 109.5° |
| C37 | C39 | H39 | 109.8° | 109.5° |
| H381 | C38 | H382 | 109.5° | 109.4° |
| H381 | C38 | H383 | 109.5° | 109.5° |
| H382 | C38 | H383 | 109.5° | 109.5° |
| C40 | C39 | O8 | 109.9° | 109.5° |
| C40 | C39 | H39 | 109.0° | 109.4° |
| C39 | C40 | H401 | 109.4° | 109.5° |
| C39 | C40 | H402 | 109.5° | 109.5° |
| C39 | C40 | H403 | 109.5° | 109.5° |
| O8 | C39 | H39 | 109.5° | 109.5° |
| C39 | O8 | HO8 | 109.5° | 106.8° |
| H401 | C40 | H402 | 109.5° | 109.5° |
| H401 | C40 | H403 | 109.4° | 109.4° |
| H402 | C40 | H403 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | C18 | C16 | N2 | 179.5° | 180.0° |
| O5 | C18 | C16 | C17 | 66.7° | 120.0° |
| O5 | C18 | C16 | C15 | 59.9° | 0.0° |
| O5 | C18 | C16 | H16 | 175.1° | 120.0° |
| O5 | C18 | N2 | C19 | 0.9° | 0.0° |
| O5 | C18 | N2 | HN2 | 179.1° | 180.0° |
| C18 | C16 | C17 | C15 | 126.0° | 120.0° |
| C18 | C16 | C17 | H16 | 119.0° | 120.0° |
| C18 | C16 | C15 | H16 | 118.5° | 120.0° |
| C18 | C16 | C17 | H171 | 72.8° | 60.0° |
| C18 | C16 | C17 | H172 | 167.1° | 180.0° |
| C18 | C16 | C17 | H173 | 47.2° | 60.0° |
| C18 | C16 | C15 | O4 | 71.5° | 60.0° |
| C18 | C16 | C15 | C14 | 52.3° | 180.0° |
| C18 | C16 | C15 | H15 | 170.3° | 60.1° |
| C16 | C18 | N2 | C19 | 179.7° | 180.0° |
| C16 | C18 | N2 | HN2 | 0.4° | 0.0° |
| N2 | C18 | C16 | C17 | 113.8° | 60.0° |
| N2 | C18 | C16 | C15 | 119.6° | 180.0° |
| N2 | C18 | C16 | H16 | 4.4° | 60.0° |
| C18 | N2 | C19 | HN2 | 180.0° | 180.0° |
| C18 | N2 | C19 | C20 | 156.6° | 180.0° |
| C18 | N2 | C19 | H191 | 36.1° | 60.0° |
| C18 | N2 | C19 | H192 | 83.4° | 60.0° |
| C17 | C16 | C15 | H16 | 117.7° | 120.0° |
| C16 | C17 | H171 | H172 | 120.0° | 120.0° |
| C16 | C17 | H171 | H173 | 120.0° | 120.0° |
| C16 | C17 | H172 | H173 | 120.0° | 120.0° |
| C17 | C16 | C15 | O4 | 52.3° | 180.0° |
| C17 | C16 | C15 | C14 | 176.1° | 59.9° |
| C17 | C16 | C15 | H15 | 65.9° | 59.9° |
| C15 | C16 | C17 | H171 | 161.2° | 60.0° |
| C15 | C16 | C17 | H172 | 41.2° | 60.0° |
| C15 | C16 | C17 | H173 | 78.8° | 180.0° |
| C16 | C15 | O4 | C14 | 122.8° | 120.0° |
| C16 | C15 | O4 | H15 | 119.3° | 120.0° |
| C16 | C15 | C14 | H15 | 119.3° | 119.9° |
| C16 | C15 | O4 | HO4 | 96.0° | 60.0° |
| C16 | C15 | C14 | N1 | 175.4° | 180.0° |
| C16 | C15 | C14 | H141 | 56.5° | 59.9° |
| C16 | C15 | C14 | H142 | 64.6° | 60.1° |
| H16 | C16 | C17 | H171 | 46.1° | 180.0° |
| H16 | C16 | C17 | H172 | 73.9° | 60.0° |
| H16 | C16 | C17 | H173 | 166.1° | 60.0° |
| H16 | C16 | C15 | O4 | 170.0° | 60.0° |
| H16 | C16 | C15 | C14 | 66.2° | 60.1° |
| H16 | C16 | C15 | H15 | 51.8° | 180.0° |
| H171 | C17 | H172 | H173 | 120.0° | 120.0° |
| O4 | C15 | C14 | H15 | 118.1° | 120.0° |
| O4 | C15 | C14 | N1 | 62.0° | 59.9° |
| O4 | C15 | C14 | H141 | 179.1° | 180.0° |
| O4 | C15 | C14 | H142 | 58.0° | 60.0° |
| C14 | C15 | O4 | HO4 | 26.8° | 60.0° |
| C15 | C14 | N1 | H141 | 118.9° | 120.0° |
| C15 | C14 | N1 | H142 | 120.0° | 119.9° |
| C15 | C14 | H141 | H142 | 119.3° | 120.0° |
| C15 | C14 | N1 | C13 | 93.4° | 180.0° |
| C15 | C14 | N1 | HN1 | 86.6° | 0.1° |
| H15 | C15 | O4 | HO4 | 144.7° | 180.0° |
| H15 | C15 | C14 | N1 | 56.1° | 60.1° |
| H15 | C15 | C14 | H141 | 62.8° | 60.0° |
| H15 | C15 | C14 | H142 | 176.1° | 180.0° |
| N1 | C14 | H141 | H142 | 119.3° | 120.0° |
| C14 | N1 | C13 | HN1 | 180.0° | 179.9° |
| C14 | N1 | C13 | O3 | 3.5° | 0.0° |
| C14 | N1 | C13 | C12 | 179.4° | 180.0° |
| H141 | C14 | N1 | C13 | 25.5° | 60.0° |
| H141 | C14 | N1 | HN1 | 154.4° | 119.9° |
| H142 | C14 | N1 | C13 | 146.6° | 60.0° |
| H142 | C14 | N1 | HN1 | 33.4° | 120.1° |
| N1 | C13 | O3 | C12 | 177.0° | 180.0° |
| N1 | C13 | C12 | C11 | 123.5° | 180.0° |
| N1 | C13 | C12 | H121 | 4.3° | 60.0° |
| N1 | C13 | C12 | H122 | 116.5° | 60.0° |
| HN1 | N1 | C13 | O3 | 176.5° | 179.9° |
| HN1 | N1 | C13 | C12 | 0.6° | 0.1° |
| O3 | C13 | C12 | C11 | 59.5° | 0.0° |
| O3 | C13 | C12 | H121 | 178.6° | 120.0° |
| O3 | C13 | C12 | H122 | 60.5° | 120.0° |
| C13 | C12 | C11 | H121 | 119.1° | 120.0° |
| C13 | C12 | C11 | H122 | 120.0° | 120.0° |
| C13 | C12 | H121 | H122 | 119.5° | 120.0° |
| C13 | C12 | C11 | C9 | 179.5° | 178.0° |
| C13 | C12 | C11 | O2 | 57.6° | 61.7° |
| C13 | C12 | C11 | H11 | 61.8° | 58.1° |
| C11 | C12 | H121 | H122 | 119.4° | 120.0° |
| C12 | C11 | C9 | O2 | 122.5° | 120.1° |
| C12 | C11 | C9 | H11 | 118.1° | 120.0° |
| C12 | C11 | O2 | H11 | 118.2° | 119.9° |
| C12 | C11 | C9 | C10 | 54.0° | 61.1° |
| C12 | C11 | C9 | C8 | 71.0° | 58.7° |
| C12 | C11 | C9 | H9 | 171.2° | 178.6° |
| C12 | C11 | O2 | C6 | 73.6° | 52.3° |
| H121 | C12 | C11 | C9 | 61.4° | 61.9° |
| H121 | C12 | C11 | O2 | 61.5° | 58.3° |
| H121 | C12 | C11 | H11 | 179.0° | 178.2° |
| H122 | C12 | C11 | C9 | 59.5° | 58.1° |
| H122 | C12 | C11 | O2 | 177.6° | 178.3° |
| H122 | C12 | C11 | H11 | 58.2° | 61.9° |
| C9 | C11 | O2 | H11 | 117.7° | 120.0° |
| C11 | C9 | C10 | C8 | 125.4° | 119.5° |
| C11 | C9 | C10 | H9 | 116.8° | 120.3° |
| C11 | C9 | C8 | H9 | 116.9° | 119.9° |
| C11 | C9 | C10 | H101 | 19.0° | 179.5° |
| C11 | C9 | C10 | H102 | 139.0° | 60.5° |
| C11 | C9 | C10 | H103 | 100.9° | 59.5° |
| C11 | C9 | C8 | C7 | 55.6° | 53.8° |
| C11 | C9 | C8 | H81 | 64.2° | 66.0° |
| C11 | C9 | C8 | H82 | 175.6° | 173.5° |
| C9 | C11 | O2 | C6 | 50.4° | 67.7° |
| O2 | C11 | C9 | C10 | 176.5° | 178.8° |
| O2 | C11 | C9 | C8 | 51.5° | 61.3° |
| O2 | C11 | C9 | H9 | 66.3° | 58.5° |
| C11 | O2 | C6 | C7 | 50.1° | 67.8° |
| C11 | O2 | C6 | C5 | 168.9° | 172.2° |
| C11 | O2 | C6 | H6 | 69.7° | 52.4° |
| H11 | C11 | C9 | C10 | 64.1° | 58.8° |
| H11 | C11 | C9 | C8 | 170.9° | 178.7° |
| H11 | C11 | C9 | H9 | 53.2° | 61.5° |
| H11 | C11 | O2 | C6 | 168.1° | 172.3° |
| C10 | C9 | C8 | H9 | 117.4° | 120.2° |
| C9 | C10 | H101 | H102 | 120.0° | 120.0° |
| C9 | C10 | H101 | H103 | 120.0° | 120.0° |
| C9 | C10 | H102 | H103 | 120.0° | 120.0° |
| C10 | C9 | C8 | C7 | 178.6° | 173.7° |
| C10 | C9 | C8 | H81 | 61.6° | 53.9° |
| C10 | C9 | C8 | H82 | 58.6° | 66.6° |
| C8 | C9 | C10 | H101 | 144.4° | 60.0° |
| C8 | C9 | C10 | H102 | 95.6° | 180.0° |
| C8 | C9 | C10 | H103 | 24.4° | 60.0° |
| C9 | C8 | C7 | H81 | 119.8° | 119.7° |
| C9 | C8 | C7 | H82 | 120.0° | 119.7° |
| C9 | C8 | H81 | H82 | 119.9° | 120.4° |
| C9 | C8 | C7 | C6 | 55.0° | 53.7° |
| C9 | C8 | C7 | H71 | 174.1° | 173.6° |
| C9 | C8 | C7 | H72 | 65.0° | 66.1° |
| H9 | C9 | C10 | H101 | 97.8° | 60.1° |
| H9 | C9 | C10 | H102 | 22.2° | 59.9° |
| H9 | C9 | C10 | H103 | 142.2° | 179.9° |
| H9 | C9 | C8 | C7 | 61.2° | 66.1° |
| H9 | C9 | C8 | H81 | 178.9° | 174.1° |
| H9 | C9 | C8 | H82 | 58.8° | 53.6° |
| H101 | C10 | H102 | H103 | 120.0° | 120.0° |
| C7 | C8 | H81 | H82 | 119.9° | 120.5° |
| C8 | C7 | C6 | H71 | 119.1° | 119.8° |
| C8 | C7 | C6 | H72 | 120.0° | 119.9° |
| C8 | C7 | H71 | H72 | 119.4° | 120.2° |
| C8 | C7 | C6 | O2 | 50.7° | 61.3° |
| C8 | C7 | C6 | C5 | 169.8° | 178.6° |
| C8 | C7 | C6 | H6 | 68.9° | 58.8° |
| H81 | C8 | C7 | C6 | 64.8° | 66.0° |
| H81 | C8 | C7 | H71 | 54.3° | 53.8° |
| H81 | C8 | C7 | H72 | 175.2° | 174.2° |
| H82 | C8 | C7 | C6 | 175.0° | 173.4° |
| H82 | C8 | C7 | H71 | 65.9° | 66.7° |
| H82 | C8 | C7 | H72 | 55.0° | 53.6° |
| C6 | C7 | H71 | H72 | 119.4° | 120.3° |
| C7 | C6 | O2 | C5 | 118.8° | 120.0° |
| C7 | C6 | O2 | H6 | 119.8° | 120.1° |
| C7 | C6 | C5 | H6 | 119.8° | 119.8° |
| C7 | C6 | C5 | C4 | 155.1° | 174.9° |
| C7 | C6 | C5 | H51 | 36.4° | 54.8° |
| C7 | C6 | C5 | H52 | 84.9° | 65.2° |
| H71 | C7 | C6 | O2 | 169.8° | 178.9° |
| H71 | C7 | C6 | C5 | 71.1° | 58.8° |
| H71 | C7 | C6 | H6 | 50.2° | 61.0° |
| H72 | C7 | C6 | O2 | 69.3° | 58.5° |
| H72 | C7 | C6 | C5 | 49.7° | 61.5° |
| H72 | C7 | C6 | H6 | 171.1° | 178.7° |
| O2 | C6 | C5 | H6 | 119.6° | 119.9° |
| O2 | C6 | C5 | C4 | 84.3° | 64.9° |
| O2 | C6 | C5 | H51 | 157.1° | 175.1° |
| O2 | C6 | C5 | H52 | 35.7° | 55.1° |
| C6 | C5 | C4 | H51 | 118.7° | 120.0° |
| C6 | C5 | C4 | H52 | 120.0° | 120.0° |
| C6 | C5 | H51 | H52 | 119.1° | 120.0° |
| C6 | C5 | C4 | O1 | 24.4° | 0.0° |
| C6 | C5 | C4 | C3 | 156.1° | 180.0° |
| H6 | C6 | C5 | C4 | 35.3° | 55.1° |
| H6 | C6 | C5 | H51 | 83.4° | 65.0° |
| H6 | C6 | C5 | H52 | 155.3° | 175.0° |
| C4 | C5 | H51 | H52 | 119.1° | 120.0° |
| C5 | C4 | O1 | C3 | 179.5° | 180.0° |
| C5 | C4 | C3 | C2 | 0.1° | 180.0° |
| C5 | C4 | C3 | H3 | 179.9° | 0.0° |
| H51 | C5 | C4 | O1 | 94.3° | 120.0° |
| H51 | C5 | C4 | C3 | 85.2° | 60.0° |
| H52 | C5 | C4 | O1 | 144.4° | 120.0° |
| H52 | C5 | C4 | C3 | 36.1° | 60.0° |
| O1 | C4 | C3 | C2 | 179.6° | 0.0° |
| O1 | C4 | C3 | H3 | 0.4° | 180.0° |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 179.8° | 180.0° |
| C4 | C3 | C2 | H2 | 0.2° | 0.1° |
| C3 | C2 | C1 | H2 | 180.0° | 179.9° |
| C3 | C2 | C1 | H11A | 16.9° | 60.0° |
| C3 | C2 | C1 | H12 | 136.8° | 60.0° |
| C3 | C2 | C1 | H13 | 103.2° | 180.0° |
| H3 | C3 | C2 | C1 | 0.2° | 0.0° |
| H3 | C3 | C2 | H2 | 179.8° | 179.9° |
| C2 | C1 | H11A | H12 | 120.0° | 120.0° |
| C2 | C1 | H11A | H13 | 120.0° | 120.0° |
| C2 | C1 | H12 | H13 | 120.0° | 120.0° |
| H2 | C2 | C1 | H11A | 163.1° | 120.1° |
| H2 | C2 | C1 | H12 | 43.1° | 120.0° |
| H2 | C2 | C1 | H13 | 76.8° | 0.1° |
| H11A | C1 | H12 | H13 | 120.0° | 120.0° |
| N2 | C19 | C20 | H191 | 120.6° | 120.0° |
| N2 | C19 | C20 | H192 | 120.0° | 120.0° |
| N2 | C19 | H191 | H192 | 120.4° | 120.0° |
| N2 | C19 | C20 | C21 | 173.6° | 180.0° |
| N2 | C19 | C20 | H201 | 67.4° | 60.0° |
| N2 | C19 | C20 | H202 | 53.5° | 60.0° |
| HN2 | N2 | C19 | C20 | 23.4° | 0.0° |
| HN2 | N2 | C19 | H191 | 143.9° | 120.0° |
| HN2 | N2 | C19 | H192 | 96.6° | 119.9° |
| C20 | C19 | H191 | H192 | 120.4° | 120.0° |
| C19 | C20 | C21 | H201 | 119.0° | 120.0° |
| C19 | C20 | C21 | H202 | 120.0° | 120.0° |
| C19 | C20 | H201 | H202 | 119.3° | 120.0° |
| C19 | C20 | C21 | C22 | 178.1° | 180.0° |
| C19 | C20 | C21 | H211 | 58.2° | 60.0° |
| C19 | C20 | C21 | H212 | 61.9° | 60.0° |
| H191 | C19 | C20 | C21 | 53.0° | 60.0° |
| H191 | C19 | C20 | H201 | 172.0° | 180.0° |
| H191 | C19 | C20 | H202 | 67.0° | 60.0° |
| H192 | C19 | C20 | C21 | 66.4° | 60.0° |
| H192 | C19 | C20 | H201 | 52.6° | 60.0° |
| H192 | C19 | C20 | H202 | 173.5° | 180.0° |
| C21 | C20 | H201 | H202 | 119.4° | 120.0° |
| C20 | C21 | C22 | H211 | 119.9° | 120.0° |
| C20 | C21 | C22 | H212 | 120.0° | 120.0° |
| C20 | C21 | H211 | H212 | 119.9° | 120.0° |
| C20 | C21 | C22 | C23 | 176.7° | 174.9° |
| C20 | C21 | C22 | O6 | 64.8° | 64.8° |
| C20 | C21 | C22 | H22 | 58.7° | 55.0° |
| H201 | C20 | C21 | C22 | 62.9° | 60.0° |
| H201 | C20 | C21 | H211 | 177.3° | 180.0° |
| H201 | C20 | C21 | H212 | 57.1° | 60.0° |
| H202 | C20 | C21 | C22 | 58.1° | 60.0° |
| H202 | C20 | C21 | H211 | 61.8° | 60.0° |
| H202 | C20 | C21 | H212 | 178.1° | 180.0° |
| C22 | C21 | H211 | H212 | 119.9° | 120.0° |
| C21 | C22 | C23 | O6 | 116.7° | 120.1° |
| C21 | C22 | C23 | H22 | 119.8° | 119.9° |
| C21 | C22 | O6 | H22 | 119.7° | 119.9° |
| C21 | C22 | C23 | C24 | 61.8° | 58.8° |
| C21 | C22 | C23 | C25 | 172.4° | 178.6° |
| C21 | C22 | C23 | H23 | 54.1° | 61.5° |
| C21 | C22 | O6 | C27 | 172.6° | 172.2° |
| H211 | C21 | C22 | C23 | 56.8° | 65.2° |
| H211 | C21 | C22 | O6 | 175.3° | 55.1° |
| H211 | C21 | C22 | H22 | 61.2° | 175.0° |
| H212 | C21 | C22 | C23 | 63.3° | 54.9° |
| H212 | C21 | C22 | O6 | 55.2° | 175.2° |
| H212 | C21 | C22 | H22 | 178.7° | 65.0° |
| C23 | C22 | O6 | H22 | 117.9° | 120.1° |
| C22 | C23 | C24 | C25 | 122.8° | 119.5° |
| C22 | C23 | C24 | H23 | 119.3° | 120.3° |
| C22 | C23 | C25 | H23 | 119.6° | 119.9° |
| C22 | C23 | C24 | H241 | 100.9° | 179.5° |
| C22 | C23 | C24 | H242 | 19.1° | 60.5° |
| C22 | C23 | C24 | H243 | 139.1° | 59.5° |
| C22 | C23 | C25 | C26 | 53.9° | 53.8° |
| C22 | C23 | C25 | H251 | 65.4° | 66.0° |
| C22 | C23 | C25 | H252 | 173.9° | 173.5° |
| C23 | C22 | O6 | C27 | 65.0° | 67.7° |
| O6 | C22 | C23 | C24 | 178.5° | 178.8° |
| O6 | C22 | C23 | C25 | 55.8° | 61.3° |
| O6 | C22 | C23 | H23 | 62.6° | 58.6° |
| C22 | O6 | C27 | C26 | 63.4° | 67.7° |
| C22 | O6 | C27 | C28 | 177.0° | 172.4° |
| C22 | O6 | C27 | O7 | 57.2° | 52.3° |
| H22 | C22 | C23 | C24 | 58.0° | 61.1° |
| H22 | C22 | C23 | C25 | 67.8° | 58.8° |
| H22 | C22 | C23 | H23 | 173.9° | 178.6° |
| H22 | C22 | O6 | C27 | 52.9° | 52.3° |
| C24 | C23 | C25 | H23 | 115.7° | 120.3° |
| C23 | C24 | H241 | H242 | 120.0° | 120.0° |
| C23 | C24 | H241 | H243 | 120.0° | 120.0° |
| C23 | C24 | H242 | H243 | 120.0° | 120.0° |
| C24 | C23 | C25 | C26 | 178.6° | 173.6° |
| C24 | C23 | C25 | H251 | 59.2° | 53.9° |
| C24 | C23 | C25 | H252 | 61.5° | 66.7° |
| C25 | C23 | C24 | H241 | 21.9° | 60.0° |
| C25 | C23 | C24 | H242 | 141.9° | 180.0° |
| C25 | C23 | C24 | H243 | 98.1° | 60.0° |
| C23 | C25 | C26 | H251 | 119.3° | 119.7° |
| C23 | C25 | C26 | H252 | 120.0° | 119.7° |
| C23 | C25 | H251 | H252 | 119.5° | 120.4° |
| C23 | C25 | C26 | C27 | 55.1° | 53.9° |
| C23 | C25 | C26 | H261 | 174.5° | 173.7° |
| C23 | C25 | C26 | H262 | 64.9° | 66.0° |
| H23 | C23 | C24 | H241 | 139.8° | 60.2° |
| H23 | C23 | C24 | H242 | 100.2° | 59.8° |
| H23 | C23 | C24 | H243 | 19.8° | 179.8° |
| H23 | C23 | C25 | C26 | 65.7° | 66.1° |
| H23 | C23 | C25 | H251 | 175.0° | 174.1° |
| H23 | C23 | C25 | H252 | 54.3° | 53.6° |
| H241 | C24 | H242 | H243 | 120.0° | 120.0° |
| C26 | C25 | H251 | H252 | 119.5° | 120.5° |
| C25 | C26 | C27 | H261 | 119.4° | 119.9° |
| C25 | C26 | C27 | H262 | 120.0° | 119.8° |
| C25 | C26 | H261 | H262 | 119.6° | 120.2° |
| C25 | C26 | C27 | O6 | 55.4° | 61.4° |
| C25 | C26 | C27 | C28 | 170.9° | 178.6° |
| C25 | C26 | C27 | O7 | 67.4° | 58.7° |
| H251 | C25 | C26 | C27 | 64.2° | 65.9° |
| H251 | C25 | C26 | H261 | 55.2° | 54.0° |
| H251 | C25 | C26 | H262 | 175.8° | 174.3° |
| H252 | C25 | C26 | C27 | 175.1° | 173.6° |
| H252 | C25 | C26 | H261 | 65.5° | 66.6° |
| H252 | C25 | C26 | H262 | 55.1° | 53.7° |
| C27 | C26 | H261 | H262 | 119.6° | 120.2° |
| C26 | C27 | O6 | C28 | 119.6° | 119.8° |
| C26 | C27 | O6 | O7 | 120.7° | 120.0° |
| C26 | C27 | C28 | O7 | 122.2° | 119.8° |
| C26 | C27 | C28 | C29 | 176.7° | 178.7° |
| C26 | C27 | C28 | H281 | 57.9° | 58.9° |
| C26 | C27 | C28 | H282 | 63.3° | 61.4° |
| C26 | C27 | O7 | C31 | 178.0° | 172.4° |
| H261 | C26 | C27 | O6 | 174.8° | 178.7° |
| H261 | C26 | C27 | C28 | 69.7° | 58.8° |
| H261 | C26 | C27 | O7 | 52.0° | 61.2° |
| H262 | C26 | C27 | O6 | 64.5° | 58.4° |
| H262 | C26 | C27 | C28 | 50.9° | 61.5° |
| H262 | C26 | C27 | O7 | 172.6° | 178.5° |
| O6 | C27 | C28 | O7 | 122.5° | 120.1° |
| O6 | C27 | C28 | C29 | 68.0° | 58.6° |
| O6 | C27 | C28 | H281 | 173.2° | 61.2° |
| O6 | C27 | C28 | H282 | 52.0° | 178.5° |
| O6 | C27 | O7 | C31 | 59.7° | 52.2° |
| C27 | C28 | C29 | H281 | 118.8° | 119.8° |
| C27 | C28 | C29 | H282 | 120.0° | 119.9° |
| C27 | C28 | H281 | H282 | 119.3° | 120.3° |
| C27 | C28 | C29 | C30 | 55.1° | 53.9° |
| C27 | C28 | C29 | H291 | 175.5° | 65.8° |
| C27 | C28 | C29 | H292 | 64.9° | 173.7° |
| C28 | C27 | O7 | C31 | 58.3° | 67.8° |
| O7 | C27 | C28 | C29 | 54.5° | 61.5° |
| O7 | C27 | C28 | H281 | 64.3° | 178.7° |
| O7 | C27 | C28 | H282 | 174.5° | 58.5° |
| C27 | O7 | C31 | C30 | 62.9° | 67.7° |
| C27 | O7 | C31 | C32 | 177.0° | 172.2° |
| C27 | O7 | C31 | H31 | 56.5° | 52.4° |
| C29 | C28 | H281 | H282 | 119.3° | 120.2° |
| C28 | C29 | C30 | H291 | 120.3° | 119.7° |
| C28 | C29 | C30 | H292 | 120.0° | 119.8° |
| C28 | C29 | H291 | H292 | 120.2° | 120.5° |
| C28 | C29 | C30 | C31 | 57.1° | 53.7° |
| C28 | C29 | C30 | H301 | 63.3° | 173.5° |
| C28 | C29 | C30 | H302 | 177.1° | 66.2° |
| H281 | C28 | C29 | C30 | 63.7° | 173.7° |
| H281 | C28 | C29 | H291 | 56.6° | 54.0° |
| H281 | C28 | C29 | H292 | 176.3° | 66.5° |
| H282 | C28 | C29 | C30 | 175.1° | 66.1° |
| H282 | C28 | C29 | H291 | 64.6° | 174.2° |
| H282 | C28 | C29 | H292 | 55.1° | 53.7° |
| C30 | C29 | H291 | H292 | 120.3° | 120.4° |
| C29 | C30 | C31 | H301 | 120.4° | 119.9° |
| C29 | C30 | C31 | H302 | 120.0° | 119.9° |
| C29 | C30 | H301 | H302 | 120.3° | 120.3° |
| C29 | C30 | C31 | O7 | 60.7° | 61.2° |
| C29 | C30 | C31 | C32 | 179.2° | 178.7° |
| C29 | C30 | C31 | H31 | 60.2° | 58.9° |
| H291 | C29 | C30 | C31 | 177.4° | 66.1° |
| H291 | C29 | C30 | H301 | 57.0° | 53.8° |
| H291 | C29 | C30 | H302 | 62.6° | 174.1° |
| H292 | C29 | C30 | C31 | 62.9° | 173.5° |
| H292 | C29 | C30 | H301 | 176.7° | 66.7° |
| H292 | C29 | C30 | H302 | 57.1° | 53.6° |
| C31 | C30 | H301 | H302 | 120.2° | 120.1° |
| C30 | C31 | O7 | C32 | 120.1° | 120.1° |
| C30 | C31 | O7 | H31 | 119.4° | 120.1° |
| C30 | C31 | C32 | H31 | 119.4° | 119.9° |
| C30 | C31 | C32 | C33 | 170.3° | 175.0° |
| C30 | C31 | C32 | H321 | 71.0° | 55.0° |
| C30 | C31 | C32 | H322 | 50.3° | 65.0° |
| H301 | C30 | C31 | O7 | 59.7° | 178.9° |
| H301 | C30 | C31 | C32 | 58.8° | 58.9° |
| H301 | C30 | C31 | H31 | 179.4° | 61.0° |
| H302 | C30 | C31 | O7 | 179.3° | 58.7° |
| H302 | C30 | C31 | C32 | 60.8° | 61.4° |
| H302 | C30 | C31 | H31 | 59.8° | 178.8° |
| O7 | C31 | C32 | H31 | 120.9° | 119.8° |
| O7 | C31 | C32 | C33 | 70.0° | 64.7° |
| O7 | C31 | C32 | H321 | 48.6° | 175.3° |
| O7 | C31 | C32 | H322 | 170.0° | 55.3° |
| C31 | C32 | C33 | H321 | 118.7° | 120.0° |
| C31 | C32 | C33 | H322 | 120.0° | 120.0° |
| C31 | C32 | H321 | H322 | 119.2° | 120.0° |
| C31 | C32 | C33 | C34 | 173.3° | 180.0° |
| C31 | C32 | C33 | H331 | 55.0° | 60.0° |
| C31 | C32 | C33 | H332 | 66.7° | 60.0° |
| H31 | C31 | C32 | C33 | 50.9° | 55.1° |
| H31 | C31 | C32 | H321 | 169.6° | 64.9° |
| H31 | C31 | C32 | H322 | 69.1° | 175.1° |
| C33 | C32 | H321 | H322 | 119.1° | 120.0° |
| C32 | C33 | C34 | H331 | 118.3° | 120.0° |
| C32 | C33 | C34 | H332 | 120.0° | 120.0° |
| C32 | C33 | H331 | H332 | 118.9° | 120.0° |
| C32 | C33 | C34 | C35 | 171.7° | 65.0° |
| C32 | C33 | C34 | C36 | 66.1° | 175.0° |
| C32 | C33 | C34 | H34 | 54.1° | 55.0° |
| H321 | C32 | C33 | C34 | 68.0° | 60.0° |
| H321 | C32 | C33 | H331 | 173.7° | 180.0° |
| H321 | C32 | C33 | H332 | 52.0° | 60.0° |
| H322 | C32 | C33 | C34 | 53.3° | 60.0° |
| H322 | C32 | C33 | H331 | 65.0° | 60.0° |
| H322 | C32 | C33 | H332 | 173.3° | 180.0° |
| C34 | C33 | H331 | H332 | 118.9° | 120.0° |
| C33 | C34 | C35 | C36 | 122.1° | 120.1° |
| C33 | C34 | C35 | H34 | 117.8° | 120.0° |
| C33 | C34 | C36 | H34 | 118.0° | 120.0° |
| C33 | C34 | C35 | H351 | 138.3° | 59.9° |
| C33 | C34 | C35 | H352 | 101.7° | 180.0° |
| C33 | C34 | C35 | H353 | 18.3° | 60.0° |
| C33 | C34 | C36 | C37 | 115.4° | 111.0° |
| C33 | C34 | C36 | H36 | 64.6° | 69.0° |
| H331 | C33 | C34 | C35 | 53.4° | 175.0° |
| H331 | C33 | C34 | C36 | 175.7° | 55.0° |
| H331 | C33 | C34 | H34 | 64.2° | 65.1° |
| H332 | C33 | C34 | C35 | 68.3° | 55.0° |
| H332 | C33 | C34 | C36 | 53.9° | 65.0° |
| H332 | C33 | C34 | H34 | 174.1° | 175.0° |
| C35 | C34 | C36 | H34 | 117.8° | 119.9° |
| C34 | C35 | H351 | H352 | 120.0° | 120.0° |
| C34 | C35 | H351 | H353 | 120.0° | 119.9° |
| C34 | C35 | H352 | H353 | 120.0° | 119.9° |
| C35 | C34 | C36 | C37 | 120.4° | 129.0° |
| C35 | C34 | C36 | H36 | 59.6° | 51.0° |
| C36 | C34 | C35 | H351 | 16.2° | 180.0° |
| C36 | C34 | C35 | H352 | 136.2° | 59.9° |
| C36 | C34 | C35 | H353 | 103.8° | 60.0° |
| C34 | C36 | C37 | H36 | 180.0° | 180.0° |
| C34 | C36 | C37 | C38 | 1.8° | 7.6° |
| C34 | C36 | C37 | C39 | 179.7° | 172.4° |
| H34 | C34 | C35 | H351 | 103.9° | 60.0° |
| H34 | C34 | C35 | H352 | 16.1° | 60.0° |
| H34 | C34 | C35 | H353 | 136.1° | NaN° |
| H34 | C34 | C36 | C37 | 2.5° | 9.1° |
| H34 | C34 | C36 | H36 | 177.4° | 171.0° |
| H351 | C35 | H352 | H353 | 120.0° | 120.0° |
| C36 | C37 | C38 | C39 | 178.5° | 180.0° |
| C36 | C37 | C38 | H381 | 94.0° | 6.3° |
| C36 | C37 | C38 | H382 | 25.9° | 126.3° |
| C36 | C37 | C38 | H383 | 146.0° | 113.7° |
| C36 | C37 | C39 | C40 | 112.7° | 115.0° |
| C36 | C37 | C39 | O8 | 126.9° | 125.0° |
| C36 | C37 | C39 | H39 | 6.9° | 5.0° |
| H36 | C36 | C37 | C38 | 178.1° | 172.4° |
| H36 | C36 | C37 | C39 | 0.3° | 7.6° |
| C37 | C38 | H381 | H382 | 120.0° | 120.0° |
| C37 | C38 | H381 | H383 | 120.0° | 120.0° |
| C37 | C38 | H382 | H383 | 120.0° | 120.0° |
| C38 | C37 | C39 | C40 | 68.7° | 65.0° |
| C38 | C37 | C39 | O8 | 51.7° | 55.0° |
| C38 | C37 | C39 | H39 | 171.7° | 175.0° |
| C39 | C37 | C38 | H381 | 87.5° | 173.7° |
| C39 | C37 | C38 | H382 | 152.6° | 53.7° |
| C39 | C37 | C38 | H383 | 32.5° | 66.3° |
| C37 | C39 | C40 | O8 | 119.8° | 120.0° |
| C37 | C39 | C40 | H39 | 120.2° | 120.0° |
| C37 | C39 | O8 | H39 | 120.2° | 120.0° |
| C37 | C39 | C40 | H401 | 135.1° | 60.0° |
| C37 | C39 | C40 | H402 | 15.1° | 180.0° |
| C37 | C39 | C40 | H403 | 104.9° | 60.0° |
| C37 | C39 | O8 | HO8 | 47.1° | 60.0° |
| H381 | C38 | H382 | H383 | 120.0° | 120.0° |
| C40 | C39 | O8 | H39 | 119.7° | 119.9° |
| C39 | C40 | H401 | H402 | 120.0° | 120.1° |
| C39 | C40 | H401 | H403 | 120.0° | 120.0° |
| C39 | C40 | H402 | H403 | 120.0° | 120.0° |
| C40 | C39 | O8 | HO8 | 167.2° | 60.1° |
| O8 | C39 | C40 | H401 | 105.0° | 180.0° |
| O8 | C39 | C40 | H402 | 135.0° | 59.9° |
| O8 | C39 | C40 | H403 | 14.9° | 60.0° |
| H39 | C39 | C40 | H401 | 15.0° | 60.0° |
| H39 | C39 | C40 | H402 | 105.0° | 60.0° |
| H39 | C39 | C40 | H403 | 134.9° | 180.0° |
| H39 | C39 | O8 | HO8 | 73.1° | 180.0° |
| H401 | C40 | H402 | H403 | 120.0° | 119.9° |
