EEH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C31 | doub | 1.21Å | 1.23Å | |
| C31 | N3 | sing | 1.35Å | 1.33Å | |
| C31 | C30 | sing | 1.51Å | 1.52Å | |
| N3 | C32 | sing | 1.47Å | 1.45Å | |
| C30 | N2 | sing | 1.46Å | 1.45Å | |
| N2 | C20 | sing | 1.46Å | 1.47Å | |
| N2 | C21 | sing | 1.33Å | 1.37Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C19 | N1 | sing | 1.47Å | 1.47Å | |
| C21 | O2 | doub | 1.21Å | 1.22Å | |
| C21 | C22 | sing | 1.50Å | 1.52Å | |
| C22 | C23 | sing | 1.53Å | 1.55Å | |
| C22 | N1 | sing | 1.47Å | 1.47Å | |
| C23 | C24 | sing | 1.51Å | 1.51Å | |
| C24 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| N1 | C18 | sing | 1.35Å | 1.36Å | |
| C18 | O1 | doub | 1.21Å | 1.23Å | |
| C18 | C17 | sing | 1.51Å | 1.51Å | |
| C17 | C14 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C16 | C11 | sing | 1.53Å | 1.53Å | |
| C11 | N | sing | 1.46Å | 1.47Å | |
| N | C10 | sing | 1.35Å | 1.34Å | |
| C10 | O | doub | 1.21Å | 1.23Å | |
| C10 | C9 | sing | 1.51Å | 1.51Å | |
| C9 | C8 | sing | 1.51Å | 1.50Å | |
| C8 | C1 | doub | 1.32Å | 1.36Å | Aromatic |
| C8 | S | sing | 1.75Å | 1.74Å | Aromatic |
| C1 | C | sing | 1.51Å | 1.50Å | |
| C1 | C2 | sing | 1.45Å | 1.45Å | Aromatic |
| S | C7 | sing | 1.76Å | 1.74Å | Aromatic |
| C7 | C2 | sing | 1.40Å | 1.41Å | Aromatic |
| C7 | C6 | doub | 1.40Å | 1.39Å | Aromatic |
| C2 | C3 | doub | 1.41Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | doub | 1.39Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.36Å | 1.39Å | Aromatic |
| N3 | H3 | sing | 0.97Å | 1.00Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C32 | H323 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| C9 | H91C | sing | 1.09Å | 1.10Å | |
| C9 | H92C | sing | 1.09Å | 1.10Å | |
| C | HC1 | sing | 1.09Å | 1.10Å | |
| C | HC2 | sing | 1.09Å | 1.10Å | |
| C | HC3 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C3 | HA | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C31 | N3 | 122.8° | 120.0° |
| O3 | C31 | C30 | 120.1° | 120.0° |
| N3 | C31 | C30 | 117.1° | 120.0° |
| C31 | N3 | C32 | 122.7° | 120.0° |
| C31 | N3 | H3 | 118.6° | 120.0° |
| C31 | C30 | N2 | 115.3° | 109.4° |
| C31 | C30 | H301 | 108.0° | 109.5° |
| C31 | C30 | H302 | 108.0° | 109.5° |
| C32 | N3 | H3 | 118.6° | 120.0° |
| N3 | C32 | H321 | 109.5° | 109.4° |
| N3 | C32 | H322 | 109.5° | 109.5° |
| N3 | C32 | H323 | 109.5° | 109.5° |
| C30 | N2 | C20 | 114.2° | 117.7° |
| C30 | N2 | C21 | 119.8° | 117.7° |
| N2 | C30 | H301 | 108.0° | 109.5° |
| N2 | C30 | H302 | 108.0° | 109.5° |
| C20 | N2 | C21 | 125.8° | 124.6° |
| N2 | C20 | C19 | 111.0° | 110.8° |
| N2 | C20 | H201 | 109.1° | 109.2° |
| N2 | C20 | H202 | 109.1° | 109.3° |
| N2 | C21 | O2 | 122.8° | 118.5° |
| N2 | C21 | C22 | 117.3° | 123.1° |
| C20 | C19 | N1 | 111.2° | 108.2° |
| C19 | C20 | H201 | 109.1° | 109.2° |
| C19 | C20 | H202 | 109.1° | 109.2° |
| C20 | C19 | H191 | 109.0° | 109.7° |
| C20 | C19 | H192 | 109.0° | 109.7° |
| C19 | N1 | C22 | 115.6° | 117.1° |
| C19 | N1 | C18 | 124.9° | 121.4° |
| N1 | C19 | H191 | 109.0° | 109.7° |
| N1 | C19 | H192 | 109.0° | 109.7° |
| O2 | C21 | C22 | 119.8° | 118.5° |
| C21 | C22 | C23 | 112.6° | 109.6° |
| C21 | C22 | N1 | 113.4° | 108.9° |
| C21 | C22 | H22 | 106.0° | 109.6° |
| C23 | C22 | N1 | 112.1° | 109.5° |
| C22 | C23 | C24 | 116.7° | 109.5° |
| C23 | C22 | H22 | 105.6° | 109.6° |
| C22 | C23 | H231 | 107.6° | 109.5° |
| C22 | C23 | H232 | 107.6° | 109.4° |
| C22 | N1 | C18 | 119.5° | 121.5° |
| N1 | C22 | H22 | 106.5° | 109.6° |
| C23 | C24 | C29 | 120.7° | 120.0° |
| C23 | C24 | C25 | 120.9° | 120.0° |
| C24 | C23 | H231 | 107.6° | 109.5° |
| C24 | C23 | H232 | 107.6° | 109.5° |
| C29 | C24 | C25 | 118.3° | 120.0° |
| C24 | C29 | C28 | 120.8° | 120.0° |
| C24 | C29 | H29 | 119.6° | 120.0° |
| C24 | C25 | C26 | 120.8° | 120.0° |
| C24 | C25 | H25 | 119.6° | 120.0° |
| C29 | C28 | C27 | 120.2° | 120.0° |
| C28 | C29 | H29 | 119.6° | 120.0° |
| C29 | C28 | H28 | 119.9° | 120.0° |
| C28 | C27 | C26 | 119.6° | 120.1° |
| C27 | C28 | H28 | 119.9° | 120.1° |
| C28 | C27 | H27 | 120.2° | 120.0° |
| C27 | C26 | C25 | 120.2° | 120.0° |
| C26 | C27 | H27 | 120.2° | 120.0° |
| C27 | C26 | H26 | 119.9° | 120.0° |
| C26 | C25 | H25 | 119.6° | 120.0° |
| C25 | C26 | H26 | 119.9° | 120.0° |
| N1 | C18 | O1 | 120.6° | 120.0° |
| N1 | C18 | C17 | 118.6° | 120.0° |
| O1 | C18 | C17 | 120.8° | 120.0° |
| C18 | C17 | C14 | 114.0° | 109.5° |
| C18 | C17 | H171 | 108.3° | 109.5° |
| C18 | C17 | H172 | 108.3° | 109.5° |
| C17 | C14 | C13 | 111.2° | 109.5° |
| C17 | C14 | C15 | 111.5° | 109.4° |
| C14 | C17 | H171 | 108.3° | 109.5° |
| C14 | C17 | H172 | 108.3° | 109.5° |
| C17 | C14 | H14 | 108.1° | 109.4° |
| C13 | C14 | C15 | 109.7° | 109.5° |
| C14 | C13 | C12 | 112.5° | 109.5° |
| C13 | C14 | H14 | 108.1° | 109.5° |
| C14 | C13 | H131 | 108.7° | 109.5° |
| C14 | C13 | H132 | 108.7° | 109.5° |
| C14 | C15 | C16 | 112.6° | 109.5° |
| C15 | C14 | H14 | 108.1° | 109.5° |
| C14 | C15 | H151 | 108.7° | 109.5° |
| C14 | C15 | H152 | 108.7° | 109.5° |
| C13 | C12 | C11 | 111.8° | 109.5° |
| C12 | C13 | H131 | 108.7° | 109.5° |
| C12 | C13 | H132 | 108.7° | 109.5° |
| C13 | C12 | H121 | 108.9° | 109.5° |
| C13 | C12 | H122 | 108.9° | 109.4° |
| C12 | C11 | C16 | 110.8° | 109.5° |
| C12 | C11 | N | 110.9° | 109.4° |
| C11 | C12 | H121 | 108.9° | 109.5° |
| C11 | C12 | H122 | 108.9° | 109.4° |
| C12 | C11 | H11 | 107.7° | 109.4° |
| C15 | C16 | C11 | 112.1° | 109.5° |
| C16 | C15 | H151 | 108.7° | 109.4° |
| C16 | C15 | H152 | 108.7° | 109.4° |
| C15 | C16 | H161 | 108.8° | 109.5° |
| C15 | C16 | H162 | 108.8° | 109.5° |
| C16 | C11 | N | 111.2° | 109.5° |
| C16 | C11 | H11 | 107.7° | 109.5° |
| C11 | C16 | H161 | 108.8° | 109.4° |
| C11 | C16 | H162 | 108.8° | 109.5° |
| C11 | N | C10 | 123.3° | 120.0° |
| N | C11 | H11 | 108.4° | 109.5° |
| C11 | N | H | 118.3° | 120.0° |
| N | C10 | O | 123.2° | 120.0° |
| N | C10 | C9 | 115.8° | 119.9° |
| C10 | N | H | 118.4° | 120.0° |
| O | C10 | C9 | 121.0° | 120.0° |
| C10 | C9 | C8 | 113.7° | 109.4° |
| C10 | C9 | H91C | 108.4° | 109.5° |
| C10 | C9 | H92C | 108.4° | 109.5° |
| C9 | C8 | C1 | 131.0° | 124.3° |
| C9 | C8 | S | 116.0° | 124.3° |
| C8 | C9 | H91C | 108.4° | 109.5° |
| C8 | C9 | H92C | 108.4° | 109.5° |
| C1 | C8 | S | 112.7° | 111.4° |
| C8 | C1 | C | 123.1° | 122.5° |
| C8 | C1 | C2 | 112.9° | 114.9° |
| C8 | S | C7 | 91.5° | 92.2° |
| C | C1 | C2 | 123.9° | 122.5° |
| C1 | C | HC1 | 109.5° | 109.4° |
| C1 | C | HC2 | 109.5° | 109.5° |
| C1 | C | HC3 | 109.5° | 109.5° |
| C1 | C2 | C7 | 111.3° | 111.8° |
| C1 | C2 | C3 | 130.8° | 129.4° |
| S | C7 | C2 | 111.5° | 109.7° |
| S | C7 | C6 | 127.2° | 130.6° |
| C2 | C7 | C6 | 121.3° | 119.8° |
| C7 | C2 | C3 | 117.8° | 118.8° |
| C7 | C6 | C5 | 119.3° | 120.2° |
| C7 | C6 | H6 | 120.3° | 119.9° |
| C2 | C3 | C4 | 120.7° | 120.5° |
| C2 | C3 | HA | 119.6° | 119.8° |
| C6 | C5 | C4 | 120.4° | 120.2° |
| C5 | C6 | H6 | 120.3° | 119.9° |
| C6 | C5 | H5 | 119.8° | 119.9° |
| C5 | C4 | C3 | 120.4° | 120.6° |
| C4 | C5 | H5 | 119.8° | 119.9° |
| C5 | C4 | H4 | 119.8° | 119.7° |
| C4 | C3 | HA | 119.6° | 119.7° |
| C3 | C4 | H4 | 119.8° | 119.7° |
| H301 | C30 | H302 | 109.5° | 109.5° |
| H321 | C32 | H322 | 109.4° | 109.4° |
| H321 | C32 | H323 | 109.5° | 109.5° |
| H322 | C32 | H323 | 109.5° | 109.5° |
| H201 | C20 | H202 | 109.4° | 109.2° |
| H191 | C19 | H192 | 109.5° | 109.8° |
| H231 | C23 | H232 | 109.5° | 109.4° |
| H171 | C17 | H172 | 109.5° | 109.4° |
| H131 | C13 | H132 | 109.5° | 109.4° |
| H151 | C15 | H152 | 109.5° | 109.5° |
| H121 | C12 | H122 | 109.5° | 109.5° |
| H161 | C16 | H162 | 109.5° | 109.5° |
| H91C | C9 | H92C | 109.5° | 109.5° |
| HC1 | C | HC2 | 109.5° | 109.5° |
| HC1 | C | HC3 | 109.5° | 109.5° |
| HC2 | C | HC3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C31 | N3 | C30 | 177.4° | 179.7° |
| O3 | C31 | N3 | C32 | 14.7° | 0.0° |
| O3 | C31 | C30 | N2 | 169.1° | 0.0° |
| O3 | C31 | N3 | H3 | 165.3° | 180.0° |
| O3 | C31 | C30 | H301 | 70.1° | 120.0° |
| O3 | C31 | C30 | H302 | 48.3° | 120.0° |
| C31 | N3 | C32 | H3 | 180.0° | 180.0° |
| N3 | C31 | C30 | N2 | 13.5° | 179.7° |
| N3 | C31 | C30 | H301 | 107.4° | 60.3° |
| N3 | C31 | C30 | H302 | 134.3° | 59.7° |
| C31 | N3 | C32 | H321 | 180.0° | 180.0° |
| C31 | N3 | C32 | H322 | 60.0° | 60.0° |
| C31 | N3 | C32 | H323 | 60.0° | 60.0° |
| C30 | C31 | N3 | C32 | 162.7° | 179.7° |
| C31 | C30 | N2 | H301 | 120.9° | 120.0° |
| C31 | C30 | N2 | H302 | 120.9° | 120.0° |
| C31 | C30 | N2 | C20 | 106.1° | 90.0° |
| C31 | C30 | N2 | C21 | 78.0° | 90.3° |
| C30 | C31 | N3 | H3 | 17.3° | 0.3° |
| C31 | C30 | H301 | H302 | 117.4° | 120.0° |
| N3 | C32 | H321 | H322 | 120.0° | 120.0° |
| N3 | C32 | H321 | H323 | 120.0° | 120.0° |
| N3 | C32 | H322 | H323 | 120.0° | 120.0° |
| C30 | N2 | C20 | C21 | 175.6° | 179.7° |
| C30 | N2 | C20 | C19 | 173.3° | 158.1° |
| C30 | N2 | C21 | O2 | 26.3° | 4.3° |
| C30 | N2 | C21 | C22 | 150.9° | 175.7° |
| N2 | C30 | H301 | H302 | 117.3° | 120.0° |
| C30 | N2 | C20 | H201 | 53.1° | 81.6° |
| C30 | N2 | C20 | H202 | 66.4° | 37.8° |
| N2 | C20 | C19 | H201 | 120.3° | 120.4° |
| N2 | C20 | C19 | H202 | 120.3° | 120.4° |
| N2 | C20 | C19 | N1 | 37.9° | 46.7° |
| C20 | N2 | C21 | O2 | 158.4° | 176.0° |
| C20 | N2 | C21 | C22 | 24.5° | 4.0° |
| C20 | N2 | C30 | H301 | 133.1° | 30.0° |
| C20 | N2 | C30 | H302 | 14.8° | 150.0° |
| N2 | C20 | H201 | H202 | 119.3° | 119.4° |
| N2 | C20 | C19 | H191 | 158.2° | 166.4° |
| N2 | C20 | C19 | H192 | 82.4° | 72.9° |
| C21 | N2 | C20 | C19 | 2.3° | 21.6° |
| N2 | C21 | O2 | C22 | 177.1° | 180.0° |
| N2 | C21 | C22 | C23 | 133.0° | 107.1° |
| N2 | C21 | C22 | N1 | 4.5° | 12.7° |
| C21 | N2 | C30 | H301 | 42.8° | 149.7° |
| C21 | N2 | C30 | H302 | 161.1° | 29.7° |
| C21 | N2 | C20 | H201 | 122.5° | 98.7° |
| C21 | N2 | C20 | H202 | 118.0° | 141.9° |
| N2 | C21 | C22 | H22 | 112.0° | 132.6° |
| C20 | C19 | N1 | H191 | 120.3° | 119.7° |
| C20 | C19 | N1 | H192 | 120.3° | 119.7° |
| C20 | C19 | N1 | C22 | 58.9° | 61.7° |
| C20 | C19 | N1 | C18 | 119.6° | 118.5° |
| C19 | C20 | H201 | H202 | 119.3° | 119.3° |
| C20 | C19 | H191 | H192 | 119.2° | 120.7° |
| C19 | N1 | C22 | C21 | 36.6° | 42.9° |
| C19 | N1 | C22 | C23 | 92.2° | 76.9° |
| C19 | N1 | C22 | C18 | 178.6° | 179.8° |
| C19 | N1 | C18 | O1 | 156.4° | 180.0° |
| C19 | N1 | C18 | C17 | 24.7° | 0.0° |
| N1 | C19 | C20 | H201 | 82.4° | 73.6° |
| N1 | C19 | C20 | H202 | 158.2° | 167.1° |
| N1 | C19 | H191 | H192 | 119.2° | 120.6° |
| C19 | N1 | C22 | H22 | 152.7° | 162.8° |
| O2 | C21 | C22 | C23 | 49.7° | 72.9° |
| O2 | C21 | C22 | N1 | 178.3° | 167.3° |
| O2 | C21 | C22 | H22 | 65.3° | 47.4° |
| C21 | C22 | C23 | N1 | 129.2° | 119.4° |
| C21 | C22 | C23 | H22 | 115.2° | 120.3° |
| C21 | C22 | N1 | H22 | 116.1° | 119.9° |
| C21 | C22 | C23 | C24 | 64.0° | 175.0° |
| C21 | C22 | N1 | C18 | 142.0° | 137.3° |
| C21 | C22 | C23 | H231 | 57.0° | 64.9° |
| C21 | C22 | C23 | H232 | 174.9° | 55.0° |
| C23 | C22 | N1 | H22 | 115.0° | 120.2° |
| C22 | C23 | C24 | H231 | 121.0° | 120.1° |
| C22 | C23 | C24 | H232 | 121.0° | 119.9° |
| C22 | C23 | C24 | C29 | 99.9° | 90.1° |
| C22 | C23 | C24 | C25 | 82.7° | 90.2° |
| C23 | C22 | N1 | C18 | 89.2° | 102.9° |
| C22 | C23 | H231 | H232 | 116.7° | 119.9° |
| N1 | C22 | C23 | C24 | 65.2° | 65.6° |
| C22 | N1 | C18 | O1 | 22.1° | 0.2° |
| C22 | N1 | C18 | C17 | 156.9° | 179.8° |
| C22 | N1 | C19 | H191 | 179.1° | 178.6° |
| C22 | N1 | C19 | H192 | 61.4° | 58.0° |
| N1 | C22 | C23 | H231 | 173.7° | 54.5° |
| N1 | C22 | C23 | H232 | 55.8° | 174.4° |
| C23 | C24 | C29 | C25 | 177.4° | 179.7° |
| C23 | C24 | C29 | C28 | 179.7° | 180.0° |
| C23 | C24 | C25 | C26 | 179.6° | 179.8° |
| C24 | C23 | C22 | H22 | 179.2° | 54.7° |
| C24 | C23 | H231 | H232 | 116.7° | 120.0° |
| C23 | C24 | C29 | H29 | 0.3° | 0.1° |
| C23 | C24 | C25 | H25 | 0.4° | 0.0° |
| C24 | C29 | C28 | H29 | 180.0° | 179.8° |
| C24 | C29 | C28 | C27 | 1.4° | 0.1° |
| C29 | C24 | C25 | C26 | 2.2° | 0.5° |
| C29 | C24 | C23 | H231 | 139.0° | 30.0° |
| C29 | C24 | C23 | H232 | 21.1° | 150.0° |
| C29 | C24 | C25 | H25 | 177.8° | 179.7° |
| C24 | C29 | C28 | H28 | 178.6° | 179.9° |
| C25 | C24 | C29 | C28 | 2.3° | 0.4° |
| C24 | C25 | C26 | C27 | 1.3° | 0.4° |
| C24 | C25 | C26 | H25 | 180.0° | 179.8° |
| C25 | C24 | C23 | H231 | 38.3° | 149.7° |
| C25 | C24 | C23 | H232 | 156.2° | 29.7° |
| C25 | C24 | C29 | H29 | 177.7° | 179.8° |
| C24 | C25 | C26 | H26 | 178.8° | 179.7° |
| C29 | C28 | C27 | H28 | 180.0° | 180.0° |
| C29 | C28 | C27 | C26 | 0.4° | 0.0° |
| C29 | C28 | C27 | H27 | 179.6° | 180.0° |
| C28 | C27 | C26 | H27 | 180.0° | 180.0° |
| C28 | C27 | C26 | C25 | 0.3° | 0.1° |
| C27 | C28 | C29 | H29 | 178.6° | 179.9° |
| C28 | C27 | C26 | H26 | 179.7° | 179.9° |
| C27 | C26 | C25 | H26 | 180.0° | 179.9° |
| C27 | C26 | C25 | H25 | 178.7° | 179.8° |
| C26 | C27 | C28 | H28 | 179.6° | 180.0° |
| C25 | C26 | C27 | H27 | 179.7° | 179.8° |
| N1 | C18 | O1 | C17 | 179.0° | 180.0° |
| N1 | C18 | C17 | C14 | 179.9° | 180.0° |
| C18 | N1 | C19 | H191 | 0.7° | 1.2° |
| C18 | N1 | C19 | H192 | 120.1° | 121.8° |
| C18 | N1 | C22 | H22 | 25.9° | 17.4° |
| N1 | C18 | C17 | H171 | 59.4° | 60.0° |
| N1 | C18 | C17 | H172 | 59.3° | 60.0° |
| O1 | C18 | C17 | C14 | 1.0° | 0.0° |
| O1 | C18 | C17 | H171 | 121.6° | 120.1° |
| O1 | C18 | C17 | H172 | 119.7° | 120.0° |
| C18 | C17 | C14 | H171 | 120.7° | 120.0° |
| C18 | C17 | C14 | H172 | 120.7° | 120.1° |
| C18 | C17 | C14 | C13 | 76.7° | 175.0° |
| C18 | C17 | C14 | C15 | 160.5° | 65.0° |
| C18 | C17 | H171 | H172 | 117.9° | 120.0° |
| C18 | C17 | C14 | H14 | 41.8° | 55.0° |
| C17 | C14 | C13 | C15 | 123.8° | 120.0° |
| C17 | C14 | C13 | H14 | 118.5° | 120.0° |
| C17 | C14 | C15 | H14 | 118.7° | 119.9° |
| C17 | C14 | C13 | C12 | 178.5° | NaN° |
| C17 | C14 | C15 | C16 | 177.7° | 180.0° |
| C14 | C17 | H171 | H172 | 117.9° | 120.0° |
| C17 | C14 | C13 | H131 | 58.1° | 60.0° |
| C17 | C14 | C13 | H132 | 61.1° | 60.0° |
| C17 | C14 | C15 | H151 | 61.8° | 60.0° |
| C17 | C14 | C15 | H152 | 57.2° | 60.1° |
| C13 | C14 | C15 | H14 | 117.7° | 120.0° |
| C14 | C13 | C12 | H131 | 120.4° | 120.0° |
| C14 | C13 | C12 | H132 | 120.5° | 120.0° |
| C14 | C13 | C12 | C11 | 55.7° | 60.0° |
| C13 | C14 | C15 | C16 | 54.1° | 60.0° |
| C13 | C14 | C17 | H171 | 162.6° | 65.0° |
| C13 | C14 | C17 | H172 | 43.9° | 54.9° |
| C14 | C13 | H131 | H132 | 118.6° | 120.0° |
| C13 | C14 | C15 | H151 | 174.6° | 180.0° |
| C13 | C14 | C15 | H152 | 66.4° | 60.0° |
| C14 | C13 | C12 | H121 | 176.1° | 180.0° |
| C14 | C13 | C12 | H122 | 64.6° | 60.0° |
| C15 | C14 | C13 | C12 | 54.7° | 60.0° |
| C14 | C15 | C16 | H151 | 120.5° | 120.0° |
| C14 | C15 | C16 | H152 | 120.5° | 120.0° |
| C14 | C15 | C16 | C11 | 54.6° | 60.0° |
| C15 | C14 | C17 | H171 | 39.8° | 55.0° |
| C15 | C14 | C17 | H172 | 78.8° | 175.0° |
| C15 | C14 | C13 | H131 | 65.7° | 60.0° |
| C15 | C14 | C13 | H132 | 175.1° | 180.0° |
| C14 | C15 | H151 | H152 | 118.6° | 120.1° |
| C14 | C15 | C16 | H161 | 65.8° | 60.0° |
| C14 | C15 | C16 | H162 | 175.0° | 180.0° |
| C13 | C12 | C11 | H121 | 120.4° | 120.0° |
| C13 | C12 | C11 | H122 | 120.3° | 119.9° |
| C13 | C12 | C11 | C16 | 54.0° | 60.0° |
| C13 | C12 | C11 | N | 70.1° | 60.0° |
| C12 | C13 | C14 | H14 | 63.0° | 60.0° |
| C12 | C13 | H131 | H132 | 118.6° | 120.0° |
| C13 | C12 | H121 | H122 | 118.9° | 120.0° |
| C13 | C12 | C11 | H11 | 171.5° | 180.0° |
| C12 | C11 | C16 | C15 | 53.5° | 60.0° |
| C12 | C11 | C16 | N | 123.8° | 120.0° |
| C12 | C11 | C16 | H11 | 117.5° | 120.0° |
| C12 | C11 | N | H11 | 118.1° | 119.9° |
| C12 | C11 | N | C10 | 75.4° | 155.0° |
| C11 | C12 | C13 | H131 | 64.7° | 60.0° |
| C11 | C12 | C13 | H132 | 176.2° | 180.0° |
| C11 | C12 | H121 | H122 | 118.9° | 120.0° |
| C12 | C11 | C16 | H161 | 67.0° | 60.0° |
| C12 | C11 | C16 | H162 | 173.9° | 180.0° |
| C12 | C11 | N | H | 104.6° | 25.0° |
| C15 | C16 | C11 | H161 | 120.4° | 120.0° |
| C15 | C16 | C11 | H162 | 120.4° | 120.0° |
| C15 | C16 | C11 | N | 70.4° | 60.0° |
| C16 | C15 | C14 | H14 | 63.6° | 60.0° |
| C16 | C15 | H151 | H152 | 118.6° | 120.0° |
| C15 | C16 | C11 | H11 | 171.0° | 180.0° |
| C15 | C16 | H161 | H162 | 118.8° | 120.0° |
| C16 | C11 | N | H11 | 118.2° | 120.1° |
| C16 | C11 | N | C10 | 160.9° | 85.1° |
| C11 | C16 | C15 | H151 | 175.1° | 180.0° |
| C11 | C16 | C15 | H152 | 65.9° | 60.0° |
| C16 | C11 | C12 | H121 | 174.3° | 180.0° |
| C16 | C11 | C12 | H122 | 66.4° | 60.0° |
| C11 | C16 | H161 | H162 | 118.8° | 120.0° |
| C16 | C11 | N | H | 19.1° | 95.0° |
| C11 | N | C10 | H | 180.0° | 180.0° |
| C11 | N | C10 | O | 1.3° | 0.0° |
| C11 | N | C10 | C9 | 177.6° | 180.0° |
| N | C11 | C12 | H121 | 50.3° | 60.0° |
| N | C11 | C12 | H122 | 169.6° | 180.0° |
| N | C11 | C16 | H161 | 169.2° | 179.9° |
| N | C11 | C16 | H162 | 50.0° | 60.1° |
| N | C10 | O | C9 | 178.8° | 180.0° |
| N | C10 | C9 | C8 | 111.7° | 180.0° |
| C10 | N | C11 | H11 | 42.7° | 35.0° |
| N | C10 | C9 | H91C | 127.6° | 60.0° |
| N | C10 | C9 | H92C | 8.9° | 60.1° |
| O | C10 | C9 | C8 | 67.1° | 0.0° |
| O | C10 | N | H | 178.7° | 180.0° |
| O | C10 | C9 | H91C | 53.5° | 120.0° |
| O | C10 | C9 | H92C | 172.3° | 120.0° |
| C10 | C9 | C8 | H91C | 120.6° | 120.0° |
| C10 | C9 | C8 | H92C | 120.6° | 120.0° |
| C10 | C9 | C8 | C1 | 116.9° | 90.0° |
| C10 | C9 | C8 | S | 70.2° | 90.3° |
| C9 | C10 | N | H | 2.4° | 0.0° |
| C10 | C9 | H91C | H92C | 118.0° | 120.0° |
| C9 | C8 | C1 | S | 173.1° | 179.7° |
| C9 | C8 | C1 | C | 6.7° | 0.1° |
| C9 | C8 | C1 | C2 | 176.6° | 179.9° |
| C9 | C8 | S | C7 | 177.7° | 180.0° |
| C8 | C9 | H91C | H92C | 118.1° | 120.0° |
| C8 | C1 | C | C2 | 176.4° | 180.0° |
| C1 | C8 | S | C7 | 3.5° | 0.3° |
| C8 | C1 | C2 | C7 | 1.5° | 0.1° |
| C8 | C1 | C2 | C3 | 176.5° | 180.0° |
| C1 | C8 | C9 | H91C | 3.7° | 30.0° |
| C1 | C8 | C9 | H92C | 122.5° | 150.0° |
| C8 | C1 | C | HC1 | 91.8° | 90.0° |
| C8 | C1 | C | HC2 | 148.2° | 150.0° |
| C8 | C1 | C | HC3 | 28.3° | 30.0° |
| S | C8 | C1 | C | 179.7° | 179.8° |
| S | C8 | C1 | C2 | 3.5° | 0.2° |
| C8 | S | C7 | C2 | 2.6° | 0.2° |
| C8 | S | C7 | C6 | 177.3° | 180.0° |
| S | C8 | C9 | H91C | 169.2° | 149.7° |
| S | C8 | C9 | H92C | 50.4° | 29.6° |
| C | C1 | C2 | C7 | 178.2° | 179.9° |
| C | C1 | C2 | C3 | 0.3° | 0.0° |
| C1 | C | HC1 | HC2 | 120.0° | 120.0° |
| C1 | C | HC1 | HC3 | 120.0° | 120.0° |
| C1 | C | HC2 | HC3 | 120.0° | 120.0° |
| C1 | C2 | C7 | S | 1.2° | 0.1° |
| C1 | C2 | C7 | C3 | 178.2° | 179.9° |
| C1 | C2 | C7 | C6 | 178.8° | 179.9° |
| C1 | C2 | C3 | C4 | 179.5° | 179.6° |
| C2 | C1 | C | HC1 | 91.8° | 90.0° |
| C2 | C1 | C | HC2 | 28.2° | 30.0° |
| C2 | C1 | C | HC3 | 148.2° | 150.0° |
| C1 | C2 | C3 | HA | 0.5° | 0.0° |
| S | C7 | C2 | C6 | 179.9° | 179.8° |
| S | C7 | C2 | C3 | 179.4° | 179.8° |
| S | C7 | C6 | C5 | 178.5° | 180.0° |
| S | C7 | C6 | H6 | 1.4° | 0.0° |
| C2 | C7 | C6 | C5 | 1.6° | 0.2° |
| C7 | C2 | C3 | C4 | 1.7° | 0.5° |
| C2 | C7 | C6 | H6 | 178.5° | 179.7° |
| C7 | C2 | C3 | HA | 178.3° | 179.9° |
| C6 | C7 | C2 | C3 | 0.5° | 0.0° |
| C7 | C6 | C5 | H6 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 2.5° | 0.0° |
| C7 | C6 | C5 | H5 | 177.5° | 180.0° |
| C2 | C3 | C4 | C5 | 0.7° | 0.7° |
| C2 | C3 | C4 | HA | 180.0° | 179.6° |
| C2 | C3 | C4 | H4 | 179.3° | 179.8° |
| C6 | C5 | C4 | H5 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 1.4° | 0.5° |
| C6 | C5 | C4 | H4 | 178.6° | 180.0° |
| C5 | C4 | C3 | H4 | 180.0° | 179.5° |
| C4 | C5 | C6 | H6 | 177.5° | 180.0° |
| C5 | C4 | C3 | HA | 179.3° | 179.7° |
| C3 | C4 | C5 | H5 | 178.6° | 179.5° |
| H3 | N3 | C32 | H321 | 0.0° | 0.0° |
| H3 | N3 | C32 | H322 | 120.0° | 120.0° |
| H3 | N3 | C32 | H323 | 120.0° | 120.0° |
| H321 | C32 | H322 | H323 | 120.0° | 120.1° |
| H201 | C20 | C19 | H191 | 37.9° | 46.1° |
| H201 | C20 | C19 | H192 | 157.4° | 166.7° |
| H202 | C20 | C19 | H191 | 81.6° | 73.2° |
| H202 | C20 | C19 | H192 | 37.9° | 47.4° |
| H22 | C22 | C23 | H231 | 58.2° | 174.8° |
| H22 | C22 | C23 | H232 | 59.7° | 65.3° |
| H29 | C29 | C28 | H28 | 1.4° | 0.1° |
| H25 | C25 | C26 | H26 | 1.3° | 0.2° |
| H28 | C28 | C27 | H27 | 0.4° | 0.0° |
| H27 | C27 | C26 | H26 | 0.3° | 0.1° |
| H171 | C17 | C14 | H14 | 78.9° | 175.0° |
| H172 | C17 | C14 | H14 | 162.5° | 65.0° |
| H14 | C14 | C13 | H131 | 176.6° | 180.0° |
| H14 | C14 | C13 | H132 | 57.4° | 60.0° |
| H14 | C14 | C15 | H151 | 56.9° | 59.9° |
| H14 | C14 | C15 | H152 | 175.9° | 180.0° |
| H131 | C13 | C12 | H121 | 55.6° | 60.0° |
| H131 | C13 | C12 | H122 | 175.0° | 180.0° |
| H132 | C13 | C12 | H121 | 63.4° | 60.0° |
| H132 | C13 | C12 | H122 | 55.9° | 60.1° |
| H151 | C15 | C16 | H161 | 54.7° | 60.0° |
| H151 | C15 | C16 | H162 | 64.6° | 60.0° |
| H152 | C15 | C16 | H161 | 173.7° | 180.0° |
| H152 | C15 | C16 | H162 | 54.5° | 60.0° |
| H121 | C12 | C11 | H11 | 68.2° | 60.0° |
| H122 | C12 | C11 | H11 | 51.1° | 60.1° |
| H11 | C11 | C16 | H161 | 50.6° | 60.0° |
| H11 | C11 | C16 | H162 | 68.6° | 60.0° |
| H11 | C11 | N | H | 137.3° | 144.9° |
| HC1 | C | HC2 | HC3 | 120.0° | 120.0° |
| H6 | C6 | C5 | H5 | 2.5° | 0.0° |
| HA | C3 | C4 | H4 | 0.7° | 0.2° |
| H5 | C5 | C4 | H4 | 1.4° | 0.0° |
