LGG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C4 | sing | 1.46Å | 1.47Å | |
| N1 | C33 | sing | 1.37Å | 1.33Å | |
| N1 | HN1 | sing | 1.01Å | 1.00Å | |
| N3 | C18 | sing | 1.44Å | 1.47Å | |
| N3 | C14 | sing | 1.39Å | 1.33Å | |
| N3 | HN3 | sing | 1.02Å | 1.00Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | C3 | sing | 1.54Å | 1.53Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | N2 | sing | 1.39Å | 1.33Å | |
| C5 | O3 | doub | 1.23Å | 1.23Å | |
| C6 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | H6 | sing | 1.09Å | 1.08Å | |
| C7 | C8 | doub | 1.40Å | 1.39Å | Aromatic |
| C7 | H7 | sing | 1.09Å | 1.08Å | |
| C8 | C9 | sing | 1.40Å | 1.39Å | Aromatic |
| C8 | H8 | sing | 1.09Å | 1.08Å | |
| C10 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | H10 | sing | 1.09Å | 1.08Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C13 | N2 | sing | 1.44Å | 1.47Å | |
| C13 | H13 | sing | 1.10Å | 1.10Å | |
| C15 | C16 | sing | 1.52Å | 1.53Å | |
| C15 | N4 | sing | 1.38Å | 1.33Å | |
| C15 | O5 | doub | 1.23Å | 1.23Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C17 | H171 | sing | 1.10Å | 1.10Å | |
| C17 | H172 | sing | 1.10Å | 1.10Å | |
| C20 | C22 | sing | 1.53Å | 1.53Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.10Å | 1.10Å | |
| C20 | H203 | sing | 1.10Å | 1.10Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C21 | H211 | sing | 1.10Å | 1.10Å | |
| C21 | H212 | sing | 1.10Å | 1.10Å | |
| C21 | H213 | sing | 1.09Å | 1.10Å | |
| C22 | C23 | sing | 1.54Å | 1.53Å | |
| C22 | H22 | sing | 1.10Å | 1.10Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C24 | N5 | sing | 1.44Å | 1.47Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | C27 | sing | 1.52Å | 1.53Å | |
| C26 | O8 | doub | 1.23Å | 1.36Å | |
| C26 | N7 | sing | 1.38Å | 1.33Å | |
| C28 | C29 | sing | 1.54Å | 1.53Å | |
| C28 | C27 | sing | 1.53Å | 1.53Å | |
| C28 | H281 | sing | 1.10Å | 1.10Å | |
| C28 | H282 | sing | 1.10Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.08Å | |
| C11 | C12 | sing | 1.51Å | 1.53Å | |
| C12 | H121 | sing | 1.10Å | 1.10Å | |
| C12 | H122 | sing | 1.10Å | 1.10Å | |
| N2 | HN2 | sing | 1.02Å | 1.00Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C3 | H31 | sing | 1.10Å | 1.10Å | |
| C3 | H32 | sing | 1.10Å | 1.10Å | |
| C2 | C1 | sing | 1.51Å | 1.53Å | |
| C2 | H21 | sing | 1.10Å | 1.10Å | |
| C2 | H22A | sing | 1.09Å | 1.10Å | |
| C1 | O1 | doub | 1.22Å | 1.25Å | |
| C1 | O2 | sing | 1.36Å | 1.25Å | |
| O2 | HO2 | sing | 0.98Å | 0.95Å | |
| C33 | O11 | doub | 1.23Å | 1.36Å | |
| C33 | C34 | sing | 1.49Å | 1.39Å | |
| C34 | H341 | sing | 1.10Å | 1.10Å | |
| C34 | H342 | sing | 1.10Å | 1.10Å | |
| C34 | H343 | sing | 1.10Å | 1.10Å | |
| C14 | O4 | doub | 1.23Å | 1.23Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | H18 | sing | 1.10Å | 1.10Å | |
| C16 | H161 | sing | 1.10Å | 1.10Å | |
| C16 | H162 | sing | 1.10Å | 1.10Å | |
| N4 | HN41 | sing | 1.01Å | 1.00Å | |
| N4 | HN42 | sing | 1.02Å | 1.00Å | |
| C19 | N5 | sing | 1.39Å | 1.33Å | |
| C19 | O6 | doub | 1.23Å | 1.23Å | |
| N5 | HN5 | sing | 1.02Å | 1.00Å | |
| C23 | H231 | sing | 1.10Å | 1.10Å | |
| C23 | H232 | sing | 1.10Å | 1.10Å | |
| C25 | N6 | sing | 1.39Å | 1.33Å | |
| C25 | O7 | doub | 1.23Å | 1.23Å | |
| N6 | C29 | sing | 1.45Å | 1.47Å | |
| N6 | HN6 | sing | 1.02Å | 1.00Å | |
| C29 | C30 | sing | 1.54Å | 1.53Å | |
| C29 | H29 | sing | 1.10Å | 1.10Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C30 | H301 | sing | 1.10Å | 1.10Å | |
| C30 | H302 | sing | 1.10Å | 1.10Å | |
| C31 | C32 | sing | 1.51Å | 1.53Å | |
| C31 | H311 | sing | 1.10Å | 1.10Å | |
| C31 | H312 | sing | 1.10Å | 1.10Å | |
| C32 | O9 | doub | 1.22Å | 1.25Å | |
| C32 | O10 | sing | 1.36Å | 1.25Å | |
| O10 | HO10 | sing | 0.98Å | 0.95Å | |
| C27 | H271 | sing | 1.10Å | 1.10Å | |
| C27 | H272 | sing | 1.10Å | 1.10Å | |
| N7 | HN71 | sing | 1.01Å | 1.00Å | |
| N7 | HN72 | sing | 1.02Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | N1 | C33 | 121.5° | 122.5° |
| C4 | N1 | HN1 | 119.2° | 118.7° |
| N1 | C4 | C5 | 109.9° | 106.4° |
| N1 | C4 | C3 | 109.7° | 109.3° |
| N1 | C4 | H4 | 108.2° | 108.4° |
| C33 | N1 | HN1 | 119.3° | 118.8° |
| N1 | C33 | O11 | 119.7° | 127.1° |
| N1 | C33 | C34 | 120.2° | 113.4° |
| C18 | N3 | C14 | 120.9° | 123.5° |
| C18 | N3 | HN3 | 119.6° | 118.2° |
| N3 | C18 | C17 | 109.9° | 112.2° |
| N3 | C18 | C19 | 108.0° | 107.3° |
| N3 | C18 | H18 | 110.2° | 106.7° |
| C14 | N3 | HN3 | 119.5° | 118.3° |
| N3 | C14 | C13 | 115.5° | 112.2° |
| N3 | C14 | O4 | 123.8° | 124.8° |
| C5 | C4 | C3 | 107.0° | 112.3° |
| C5 | C4 | H4 | 110.9° | 110.5° |
| C4 | C5 | N2 | 114.2° | 112.6° |
| C4 | C5 | O3 | 121.5° | 122.5° |
| C3 | C4 | H4 | 111.1° | 109.8° |
| C4 | C3 | C2 | 112.4° | 113.6° |
| C4 | C3 | H31 | 108.5° | 109.2° |
| C4 | C3 | H32 | 107.9° | 110.1° |
| N2 | C5 | O3 | 124.3° | 124.9° |
| C5 | N2 | C13 | 122.0° | 123.4° |
| C5 | N2 | HN2 | 119.0° | 118.3° |
| C11 | C6 | C7 | 120.1° | 119.4° |
| C11 | C6 | H6 | 119.9° | 121.2° |
| C6 | C11 | C10 | 120.1° | 121.3° |
| C6 | C11 | C12 | 119.7° | 119.4° |
| C7 | C6 | H6 | 120.0° | 119.5° |
| C6 | C7 | C8 | 119.9° | 120.0° |
| C6 | C7 | H7 | 120.1° | 120.1° |
| C8 | C7 | H7 | 120.0° | 119.9° |
| C7 | C8 | C9 | 120.1° | 120.0° |
| C7 | C8 | H8 | 120.0° | 120.0° |
| C9 | C8 | H8 | 119.9° | 120.0° |
| C8 | C9 | C10 | 120.0° | 120.0° |
| C8 | C9 | H9 | 120.0° | 120.0° |
| C11 | C10 | C9 | 119.9° | 119.4° |
| C11 | C10 | H10 | 120.1° | 121.1° |
| C10 | C11 | C12 | 120.3° | 119.4° |
| C9 | C10 | H10 | 120.1° | 119.5° |
| C10 | C9 | H9 | 120.0° | 120.0° |
| C14 | C13 | C12 | 108.2° | 110.3° |
| C14 | C13 | N2 | 106.6° | 107.2° |
| C14 | C13 | H13 | 112.3° | 109.1° |
| C13 | C14 | O4 | 120.7° | 123.0° |
| C12 | C13 | N2 | 109.7° | 112.2° |
| C12 | C13 | H13 | 109.3° | 111.3° |
| C13 | C12 | C11 | 112.1° | 112.7° |
| C13 | C12 | H121 | 108.6° | 110.3° |
| C13 | C12 | H122 | 108.0° | 110.4° |
| N2 | C13 | H13 | 110.8° | 106.5° |
| C13 | N2 | HN2 | 119.0° | 118.3° |
| C16 | C15 | N4 | 115.0° | 112.4° |
| C16 | C15 | O5 | 120.9° | 124.0° |
| C15 | C16 | C17 | 110.9° | 113.6° |
| C15 | C16 | H161 | 109.0° | 106.9° |
| C15 | C16 | H162 | 108.7° | 109.4° |
| N4 | C15 | O5 | 124.1° | 123.6° |
| C15 | N4 | HN41 | 107.4° | 121.0° |
| C15 | N4 | HN42 | 126.3° | 122.3° |
| C18 | C17 | C16 | 111.0° | 113.4° |
| C18 | C17 | H171 | 109.0° | 109.2° |
| C18 | C17 | H172 | 108.6° | 110.1° |
| C17 | C18 | C19 | 109.6° | 110.3° |
| C17 | C18 | H18 | 108.6° | 111.3° |
| C16 | C17 | H171 | 108.9° | 108.4° |
| C16 | C17 | H172 | 108.6° | 109.4° |
| C17 | C16 | H161 | 109.0° | 108.7° |
| C17 | C16 | H162 | 108.7° | 110.8° |
| H171 | C17 | H172 | 110.7° | 106.1° |
| C22 | C20 | H201 | 109.5° | 110.8° |
| C22 | C20 | H202 | 109.5° | 110.8° |
| C22 | C20 | H203 | 109.4° | 111.3° |
| C20 | C22 | C21 | 110.0° | 109.7° |
| C20 | C22 | C23 | 110.4° | 109.7° |
| C20 | C22 | H22 | 108.6° | 107.5° |
| H201 | C20 | H202 | 109.5° | 107.7° |
| H201 | C20 | H203 | 109.5° | 108.0° |
| H202 | C20 | H203 | 109.5° | 108.1° |
| C22 | C21 | H211 | 109.5° | 111.2° |
| C22 | C21 | H212 | 109.5° | 110.7° |
| C22 | C21 | H213 | 109.5° | 111.4° |
| C21 | C22 | C23 | 110.0° | 112.4° |
| C21 | C22 | H22 | 109.1° | 108.2° |
| H211 | C21 | H212 | 109.5° | 107.9° |
| H211 | C21 | H213 | 109.5° | 108.3° |
| H212 | C21 | H213 | 109.5° | 107.1° |
| C23 | C22 | H22 | 108.6° | 109.1° |
| C22 | C23 | C24 | 110.2° | 114.8° |
| C22 | C23 | H231 | 109.2° | 108.7° |
| C22 | C23 | H232 | 109.0° | 109.1° |
| C23 | C24 | C25 | 108.6° | 110.2° |
| C23 | C24 | N5 | 110.1° | 112.2° |
| C23 | C24 | H24 | 109.2° | 111.3° |
| C24 | C23 | H231 | 109.2° | 108.8° |
| C24 | C23 | H232 | 109.0° | 109.3° |
| C25 | C24 | N5 | 107.9° | 107.1° |
| C25 | C24 | H24 | 111.3° | 108.8° |
| C24 | C25 | N6 | 115.7° | 112.0° |
| C24 | C25 | O7 | 120.7° | 123.0° |
| N5 | C24 | H24 | 109.8° | 107.0° |
| C24 | N5 | C19 | 121.3° | 123.5° |
| C24 | N5 | HN5 | 119.4° | 117.6° |
| C27 | C26 | O8 | 118.7° | 124.0° |
| C27 | C26 | N7 | 117.8° | 112.3° |
| C26 | C27 | C28 | 113.0° | 112.2° |
| C26 | C27 | H271 | 108.3° | 107.9° |
| C26 | C27 | H272 | 107.5° | 107.6° |
| O8 | C26 | N7 | 123.5° | 123.7° |
| C26 | N7 | HN71 | 107.6° | 118.8° |
| C26 | N7 | HN72 | 126.2° | 122.4° |
| C29 | C28 | C27 | 109.2° | 115.0° |
| C29 | C28 | H281 | 109.5° | 108.8° |
| C29 | C28 | H282 | 109.6° | 108.6° |
| C28 | C29 | N6 | 110.8° | 111.1° |
| C28 | C29 | C30 | 111.7° | 113.0° |
| C28 | C29 | H29 | 107.4° | 107.1° |
| C27 | C28 | H281 | 109.5° | 109.1° |
| C27 | C28 | H282 | 109.6° | 108.8° |
| C28 | C27 | H271 | 108.3° | 110.5° |
| C28 | C27 | H272 | 107.5° | 110.5° |
| H281 | C28 | H282 | 109.3° | 106.1° |
| C11 | C12 | H121 | 108.6° | 109.6° |
| C11 | C12 | H122 | 108.0° | 108.3° |
| H121 | C12 | H122 | 111.5° | 105.2° |
| C2 | C3 | H31 | 108.5° | 108.9° |
| C2 | C3 | H32 | 107.9° | 108.1° |
| C3 | C2 | C1 | 110.0° | 111.9° |
| C3 | C2 | H21 | 109.3° | 109.7° |
| C3 | C2 | H22A | 109.1° | 112.0° |
| H31 | C3 | H32 | 111.7° | 106.6° |
| C1 | C2 | H21 | 109.3° | 106.8° |
| C1 | C2 | H22A | 109.2° | 110.6° |
| C2 | C1 | O1 | 117.0° | 123.8° |
| C2 | C1 | O2 | 117.1° | 112.9° |
| H21 | C2 | H22A | 109.9° | 105.6° |
| O1 | C1 | O2 | 125.9° | 123.3° |
| C1 | O2 | HO2 | 109.5° | 115.5° |
| O11 | C33 | C34 | 120.1° | 119.5° |
| C33 | C34 | H341 | 109.5° | 112.4° |
| C33 | C34 | H342 | 109.5° | 112.4° |
| C33 | C34 | H343 | 109.4° | 115.3° |
| H341 | C34 | H342 | 109.5° | 105.4° |
| H341 | C34 | H343 | 109.5° | 105.2° |
| H342 | C34 | H343 | 109.5° | 105.3° |
| C19 | C18 | H18 | 110.5° | 109.0° |
| C18 | C19 | N5 | 115.5° | 112.2° |
| C18 | C19 | O6 | 120.4° | 123.0° |
| H161 | C16 | H162 | 110.6° | 107.2° |
| HN41 | N4 | HN42 | 126.3° | 116.7° |
| N5 | C19 | O6 | 124.1° | 124.8° |
| C19 | N5 | HN5 | 119.3° | 118.9° |
| H231 | C23 | H232 | 110.1° | 105.8° |
| N6 | C25 | O7 | 123.7° | 124.9° |
| C25 | N6 | C29 | 120.2° | 123.3° |
| C25 | N6 | HN6 | 119.9° | 119.3° |
| C29 | N6 | HN6 | 119.9° | 117.4° |
| N6 | C29 | C30 | 110.5° | 110.8° |
| N6 | C29 | H29 | 108.7° | 105.7° |
| C30 | C29 | H29 | 107.7° | 108.9° |
| C29 | C30 | C31 | 110.6° | 112.4° |
| C29 | C30 | H301 | 109.1° | 109.4° |
| C29 | C30 | H302 | 108.8° | 110.5° |
| C31 | C30 | H301 | 109.1° | 109.0° |
| C31 | C30 | H302 | 108.9° | 108.7° |
| C30 | C31 | C32 | 110.9° | 110.7° |
| C30 | C31 | H311 | 109.0° | 111.1° |
| C30 | C31 | H312 | 108.7° | 111.6° |
| H301 | C30 | H302 | 110.3° | 106.7° |
| C32 | C31 | H311 | 109.0° | 107.6° |
| C32 | C31 | H312 | 108.6° | 109.1° |
| C31 | C32 | O9 | 116.8° | 124.0° |
| C31 | C32 | O10 | 117.1° | 112.6° |
| H311 | C31 | H312 | 110.6° | 106.5° |
| O9 | C32 | O10 | 126.1° | 123.4° |
| C32 | O10 | HO10 | 109.5° | 115.1° |
| H271 | C27 | H272 | 112.3° | 108.0° |
| HN71 | N7 | HN72 | 126.2° | 118.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | N1 | C33 | HN1 | 180.0° | 179.9° |
| N1 | C4 | C5 | C3 | 119.1° | 119.5° |
| N1 | C4 | C5 | H4 | 119.6° | 117.5° |
| N1 | C4 | C3 | H4 | 119.6° | 118.8° |
| N1 | C4 | C5 | N2 | 158.1° | 146.0° |
| N1 | C4 | C5 | O3 | 21.9° | 32.5° |
| N1 | C4 | C3 | C2 | 63.8° | 56.0° |
| N1 | C4 | C3 | H31 | 56.2° | 177.8° |
| N1 | C4 | C3 | H32 | 177.4° | 65.4° |
| C4 | N1 | C33 | O11 | 0.4° | 0.0° |
| C4 | N1 | C33 | C34 | 178.6° | 179.9° |
| C33 | N1 | C4 | C5 | 76.5° | 148.8° |
| C33 | N1 | C4 | C3 | 166.0° | 89.7° |
| C33 | N1 | C4 | H4 | 44.7° | 30.0° |
| N1 | C33 | O11 | C34 | 179.0° | 179.9° |
| N1 | C33 | C34 | H341 | 49.0° | 120.8° |
| N1 | C33 | C34 | H342 | 71.0° | 120.5° |
| N1 | C33 | C34 | H343 | 169.0° | 0.2° |
| HN1 | N1 | C4 | C5 | 103.5° | 31.2° |
| HN1 | N1 | C4 | C3 | 14.0° | 90.2° |
| HN1 | N1 | C4 | H4 | 135.3° | 150.1° |
| HN1 | N1 | C33 | O11 | 179.6° | 180.0° |
| HN1 | N1 | C33 | C34 | 1.4° | 0.2° |
| C18 | N3 | C14 | HN3 | 180.0° | 180.0° |
| C18 | N3 | C14 | C13 | 179.1° | 177.7° |
| N3 | C18 | C17 | C19 | 118.6° | 119.5° |
| N3 | C18 | C17 | H18 | 120.6° | 119.4° |
| N3 | C18 | C17 | C16 | 61.7° | 61.4° |
| N3 | C18 | C17 | H171 | 58.3° | 59.5° |
| N3 | C18 | C17 | H172 | 179.0° | 175.6° |
| C18 | N3 | C14 | O4 | 1.7° | 0.0° |
| N3 | C18 | C19 | H18 | 120.6° | 115.1° |
| N3 | C18 | C19 | N5 | 129.2° | 147.3° |
| N3 | C18 | C19 | O6 | 48.8° | 34.9° |
| N3 | C14 | C13 | O4 | 179.2° | 177.8° |
| N3 | C14 | C13 | C12 | 94.5° | 64.8° |
| N3 | C14 | C13 | N2 | 147.6° | 172.8° |
| N3 | C14 | C13 | H13 | 26.1° | 57.8° |
| C14 | N3 | C18 | C17 | 128.3° | 152.1° |
| C14 | N3 | C18 | C19 | 112.1° | 86.6° |
| C14 | N3 | C18 | H18 | 8.7° | 30.0° |
| HN3 | N3 | C14 | C13 | 1.0° | 2.3° |
| HN3 | N3 | C18 | C17 | 51.6° | 28.0° |
| HN3 | N3 | C14 | O4 | 178.2° | 179.9° |
| HN3 | N3 | C18 | C19 | 68.0° | 93.3° |
| HN3 | N3 | C18 | H18 | 171.3° | 150.1° |
| C5 | C4 | C3 | H4 | 121.1° | 123.3° |
| C4 | C5 | N2 | O3 | 179.9° | 178.5° |
| C4 | C5 | N2 | C13 | 177.8° | 178.6° |
| C4 | C5 | N2 | HN2 | 2.2° | 1.5° |
| C5 | C4 | C3 | C2 | 177.0° | 61.8° |
| C5 | C4 | C3 | H31 | 63.0° | 60.0° |
| C5 | C4 | C3 | H32 | 58.2° | 176.7° |
| C3 | C4 | C5 | N2 | 82.8° | 94.4° |
| C3 | C4 | C5 | O3 | 97.2° | 87.0° |
| C4 | C3 | C2 | H31 | 120.0° | 122.0° |
| C4 | C3 | C2 | H32 | 118.8° | 122.6° |
| C4 | C3 | H31 | H32 | 118.8° | 119.0° |
| C4 | C3 | C2 | C1 | 178.8° | 62.0° |
| C4 | C3 | C2 | H21 | 58.8° | 179.7° |
| C4 | C3 | C2 | H22A | 61.4° | 62.8° |
| H4 | C4 | C5 | N2 | 38.4° | 28.6° |
| H4 | C4 | C5 | O3 | 141.5° | 150.0° |
| H4 | C4 | C3 | C2 | 55.8° | 174.8° |
| H4 | C4 | C3 | H31 | 175.8° | 63.4° |
| H4 | C4 | C3 | H32 | 63.0° | 53.4° |
| C5 | N2 | C13 | C14 | 86.6° | 116.7° |
| C5 | N2 | C13 | C12 | 156.5° | 122.0° |
| C5 | N2 | C13 | HN2 | 180.0° | 180.0° |
| C5 | N2 | C13 | H13 | 35.8° | 0.0° |
| O3 | C5 | N2 | C13 | 2.2° | 0.0° |
| O3 | C5 | N2 | HN2 | 177.7° | 180.0° |
| C11 | C6 | C7 | H6 | 180.0° | 179.9° |
| C11 | C6 | C7 | C8 | 0.0° | 0.0° |
| C11 | C6 | C7 | H7 | 180.0° | 180.0° |
| C6 | C11 | C10 | C12 | 179.0° | 180.0° |
| C6 | C11 | C10 | C9 | 0.2° | 0.0° |
| C6 | C11 | C10 | H10 | 179.8° | 180.0° |
| C6 | C11 | C12 | C13 | 93.5° | 90.0° |
| C6 | C11 | C12 | H121 | 26.5° | 33.3° |
| C6 | C11 | C12 | H122 | 147.6° | 147.5° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.1° | 0.0° |
| C6 | C7 | C8 | H8 | 179.9° | 180.0° |
| C7 | C6 | C11 | C10 | 0.2° | 0.0° |
| C7 | C6 | C11 | C12 | 178.8° | 180.0° |
| H6 | C6 | C7 | C8 | 180.0° | 179.9° |
| H6 | C6 | C7 | H7 | 0.0° | 0.1° |
| H6 | C6 | C11 | C10 | 179.8° | 179.9° |
| H6 | C6 | C11 | C12 | 1.2° | 0.1° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.1° | 0.0° |
| C7 | C8 | C9 | H9 | 179.9° | 180.0° |
| H7 | C7 | C8 | C9 | 179.9° | 180.0° |
| H7 | C7 | C8 | H8 | 0.1° | 0.0° |
| C8 | C9 | C10 | C11 | 0.1° | 0.0° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | H10 | 180.0° | 180.0° |
| H8 | C8 | C9 | C10 | 180.0° | 180.0° |
| H8 | C8 | C9 | H9 | 0.0° | 0.0° |
| C11 | C10 | C9 | H10 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 87.5° | 90.0° |
| C11 | C10 | C9 | H9 | 179.9° | 180.0° |
| C10 | C11 | C12 | H121 | 152.5° | 146.7° |
| C10 | C11 | C12 | H122 | 31.4° | 32.5° |
| C9 | C10 | C11 | C12 | 178.8° | 180.0° |
| H10 | C10 | C9 | H9 | 0.0° | 0.0° |
| H10 | C10 | C11 | C12 | 1.2° | 0.0° |
| C14 | C13 | C12 | N2 | 115.9° | 119.5° |
| C14 | C13 | C12 | H13 | 122.5° | 121.2° |
| C14 | C13 | N2 | H13 | 122.4° | 116.7° |
| C14 | C13 | C12 | C11 | 171.3° | 178.8° |
| C14 | C13 | C12 | H121 | 51.3° | 58.3° |
| C14 | C13 | C12 | H122 | 69.8° | 57.5° |
| C14 | C13 | N2 | HN2 | 93.4° | 63.3° |
| C12 | C13 | N2 | H13 | 120.7° | 122.0° |
| C13 | C12 | C11 | H121 | 120.0° | 123.3° |
| C13 | C12 | C11 | H122 | 118.9° | 122.5° |
| C13 | C12 | H121 | H122 | 118.9° | 119.1° |
| C12 | C13 | N2 | HN2 | 23.5° | 58.0° |
| C12 | C13 | C14 | O4 | 86.2° | 117.4° |
| N2 | C13 | C12 | C11 | 72.8° | 59.2° |
| N2 | C13 | C12 | H121 | 167.1° | 177.8° |
| N2 | C13 | C12 | H122 | 46.1° | 62.0° |
| N2 | C13 | C14 | O4 | 31.7° | 5.0° |
| H13 | C13 | C12 | C11 | 48.8° | 60.0° |
| H13 | C13 | C12 | H121 | 71.2° | 62.9° |
| H13 | C13 | C12 | H122 | 167.7° | 178.8° |
| H13 | C13 | N2 | HN2 | 144.2° | 180.0° |
| H13 | C13 | C14 | O4 | 153.1° | 120.0° |
| C16 | C15 | N4 | O5 | 179.9° | 178.8° |
| C15 | C16 | C17 | C18 | 176.3° | 58.6° |
| C15 | C16 | C17 | H161 | 120.0° | 118.8° |
| C15 | C16 | C17 | H162 | 119.4° | 123.6° |
| C15 | C16 | C17 | H171 | 63.7° | 180.0° |
| C15 | C16 | C17 | H172 | 57.0° | 64.7° |
| C15 | C16 | H161 | H162 | 119.4° | 117.3° |
| C16 | C15 | N4 | HN41 | 180.0° | 179.6° |
| C16 | C15 | N4 | HN42 | 0.0° | 0.5° |
| N4 | C15 | C16 | C17 | 60.5° | 180.0° |
| N4 | C15 | C16 | H161 | 179.5° | 60.1° |
| N4 | C15 | C16 | H162 | 58.9° | 55.7° |
| C15 | N4 | HN41 | HN42 | 180.0° | 179.9° |
| O5 | C15 | C16 | C17 | 119.4° | 1.2° |
| O5 | C15 | C16 | H161 | 0.6° | 118.7° |
| O5 | C15 | C16 | H162 | 121.2° | 125.5° |
| O5 | C15 | N4 | HN41 | 0.1° | 0.8° |
| O5 | C15 | N4 | HN42 | 179.9° | 179.3° |
| C18 | C17 | C16 | H171 | 120.0° | 121.4° |
| C18 | C17 | C16 | H172 | 119.3° | 123.3° |
| C18 | C17 | H171 | H172 | 119.4° | 118.6° |
| C17 | C18 | C19 | H18 | 119.6° | 122.4° |
| C18 | C17 | C16 | H161 | 56.3° | 177.4° |
| C18 | C17 | C16 | H162 | 64.3° | 65.0° |
| C17 | C18 | C19 | N5 | 111.0° | 90.2° |
| C17 | C18 | C19 | O6 | 71.0° | 87.6° |
| C16 | C17 | H171 | H172 | 119.4° | 117.4° |
| C16 | C17 | C18 | C19 | 179.7° | 179.0° |
| C16 | C17 | C18 | H18 | 58.9° | 58.0° |
| C17 | C16 | H161 | H162 | 119.4° | 119.8° |
| H171 | C17 | C18 | C19 | 60.3° | 60.0° |
| H171 | C17 | C18 | H18 | 178.9° | 178.9° |
| H171 | C17 | C16 | H161 | 176.3° | 61.2° |
| H171 | C17 | C16 | H162 | 55.7° | 56.4° |
| H172 | C17 | C18 | C19 | 60.4° | 56.1° |
| H172 | C17 | C18 | H18 | 60.4° | 65.0° |
| H172 | C17 | C16 | H161 | 63.0° | 54.1° |
| H172 | C17 | C16 | H162 | 176.4° | 171.7° |
| C22 | C20 | H201 | H202 | 120.0° | 121.3° |
| C22 | C20 | H201 | H203 | 120.0° | 122.2° |
| C22 | C20 | H202 | H203 | 120.0° | 122.2° |
| C20 | C22 | C21 | C23 | 121.9° | 122.4° |
| C20 | C22 | C21 | H22 | 119.0° | 117.0° |
| C20 | C22 | C21 | H211 | 123.2° | 66.6° |
| C20 | C22 | C21 | H212 | 116.8° | 53.3° |
| C20 | C22 | C21 | H213 | 3.2° | 172.5° |
| C20 | C22 | C23 | H22 | 119.0° | 117.6° |
| C20 | C22 | C23 | C24 | 64.8° | 57.9° |
| C20 | C22 | C23 | H231 | 55.2° | 180.0° |
| C20 | C22 | C23 | H232 | 175.5° | 65.1° |
| H201 | C20 | H202 | H203 | 120.0° | 116.5° |
| H201 | C20 | C22 | C21 | 127.2° | 58.3° |
| H201 | C20 | C22 | C23 | 111.2° | 177.8° |
| H201 | C20 | C22 | H22 | 7.8° | 59.2° |
| H202 | C20 | C22 | C21 | 7.1° | 177.7° |
| H202 | C20 | C22 | C23 | 128.8° | 58.3° |
| H202 | C20 | C22 | H22 | 112.2° | 60.2° |
| H203 | C20 | C22 | C21 | 112.8° | 62.0° |
| H203 | C20 | C22 | C23 | 8.8° | 62.0° |
| H203 | C20 | C22 | H22 | 127.8° | 179.5° |
| C22 | C21 | H211 | H212 | 120.0° | 121.7° |
| C22 | C21 | H211 | H213 | 120.0° | 122.8° |
| C22 | C21 | H212 | H213 | 120.0° | 121.7° |
| C21 | C22 | C23 | H22 | 119.3° | 120.1° |
| C21 | C22 | C23 | C24 | 173.5° | 64.4° |
| C21 | C22 | C23 | H231 | 66.4° | 57.6° |
| C21 | C22 | C23 | H232 | 53.9° | 172.5° |
| H211 | C21 | H212 | H213 | 120.0° | 116.4° |
| H211 | C21 | C22 | C23 | 114.9° | 55.7° |
| H211 | C21 | C22 | H22 | 4.1° | 176.3° |
| H212 | C21 | C22 | C23 | 5.1° | 175.7° |
| H212 | C21 | C22 | H22 | 124.1° | 63.7° |
| H213 | C21 | C22 | C23 | 125.1° | 65.2° |
| H213 | C21 | C22 | H22 | 115.9° | 55.4° |
| C22 | C23 | C24 | H231 | 120.0° | 122.0° |
| C22 | C23 | C24 | H232 | 119.7° | 122.9° |
| C22 | C23 | C24 | C25 | 175.0° | 178.0° |
| C22 | C23 | C24 | N5 | 67.1° | 58.7° |
| C22 | C23 | C24 | H24 | 53.5° | 61.2° |
| C22 | C23 | H231 | H232 | 119.7° | 117.0° |
| H22 | C22 | C23 | C24 | 54.2° | 175.5° |
| H22 | C22 | C23 | H231 | 174.2° | 62.4° |
| H22 | C22 | C23 | H232 | 65.5° | 52.4° |
| C23 | C24 | C25 | N5 | 119.3° | 122.4° |
| C23 | C24 | C25 | H24 | 120.2° | 122.3° |
| C23 | C24 | N5 | H24 | 120.2° | 122.4° |
| C23 | C24 | N5 | C19 | 178.7° | 152.4° |
| C23 | C24 | N5 | HN5 | 1.3° | 27.4° |
| C24 | C23 | H231 | H232 | 119.7° | 117.4° |
| C23 | C24 | C25 | N6 | 104.0° | 94.7° |
| C23 | C24 | C25 | O7 | 76.8° | 87.7° |
| C25 | C24 | N5 | H24 | 121.5° | 116.5° |
| C25 | C24 | N5 | C19 | 63.0° | 86.5° |
| C25 | C24 | N5 | HN5 | 117.0° | 93.7° |
| C25 | C24 | C23 | H231 | 55.0° | 60.0° |
| C25 | C24 | C23 | H232 | 65.3° | 55.1° |
| C24 | C25 | N6 | O7 | 179.2° | 177.6° |
| C24 | C25 | N6 | C29 | 180.0° | 177.7° |
| C24 | C25 | N6 | HN6 | 0.0° | 1.7° |
| C24 | N5 | C19 | C18 | 179.2° | 177.7° |
| C24 | N5 | C19 | HN5 | 180.0° | 179.8° |
| C24 | N5 | C19 | O6 | 2.9° | 0.1° |
| N5 | C24 | C23 | H231 | 172.9° | 179.3° |
| N5 | C24 | C23 | H232 | 52.6° | 64.2° |
| N5 | C24 | C25 | N6 | 136.8° | 143.0° |
| N5 | C24 | C25 | O7 | 42.5° | 34.7° |
| H24 | C24 | N5 | C19 | 58.5° | 30.0° |
| H24 | C24 | N5 | HN5 | 121.6° | 149.8° |
| H24 | C24 | C23 | H231 | 66.5° | 60.8° |
| H24 | C24 | C23 | H232 | 173.2° | 175.9° |
| H24 | C24 | C25 | N6 | 16.2° | 27.7° |
| H24 | C24 | C25 | O7 | 163.0° | 150.0° |
| C27 | C26 | O8 | N7 | 179.4° | 179.7° |
| C26 | C27 | C28 | C29 | 170.1° | 177.4° |
| C26 | C27 | C28 | H271 | 120.0° | 120.5° |
| C26 | C27 | C28 | H272 | 118.5° | 120.0° |
| C26 | C27 | C28 | H281 | 70.0° | 60.0° |
| C26 | C27 | C28 | H282 | 50.0° | 55.3° |
| C26 | C27 | H271 | H272 | 118.6° | 116.0° |
| C27 | C26 | N7 | HN71 | 0.3° | 179.9° |
| C27 | C26 | N7 | HN72 | 179.7° | 0.1° |
| O8 | C26 | C27 | C28 | 34.4° | 0.3° |
| O8 | C26 | C27 | H271 | 154.4° | 122.3° |
| O8 | C26 | C27 | H272 | 84.1° | 121.4° |
| O8 | C26 | N7 | HN71 | 179.7° | 0.2° |
| O8 | C26 | N7 | HN72 | 0.3° | 179.8° |
| N7 | C26 | C27 | C28 | 146.2° | 180.0° |
| N7 | C26 | C27 | H271 | 26.2° | 58.0° |
| N7 | C26 | C27 | H272 | 95.3° | 58.3° |
| C26 | N7 | HN71 | HN72 | 180.0° | 180.0° |
| C29 | C28 | C27 | H281 | 120.0° | 122.5° |
| C29 | C28 | C27 | H282 | 120.1° | 122.1° |
| C29 | C28 | H281 | H282 | 120.1° | 116.7° |
| C28 | C29 | N6 | C25 | 111.4° | 85.9° |
| C28 | C29 | N6 | C30 | 124.4° | 126.4° |
| C28 | C29 | N6 | H29 | 117.7° | 115.8° |
| C28 | C29 | N6 | HN6 | 68.6° | 93.5° |
| C28 | C29 | C30 | H29 | 117.6° | 118.9° |
| C28 | C29 | C30 | C31 | 173.7° | 178.8° |
| C28 | C29 | C30 | H301 | 66.2° | 59.9° |
| C28 | C29 | C30 | H302 | 54.2° | 57.2° |
| C29 | C28 | C27 | H271 | 50.1° | 62.1° |
| C29 | C28 | C27 | H272 | 71.4° | 57.4° |
| C27 | C28 | H281 | H282 | 120.1° | 117.1° |
| C27 | C28 | C29 | N6 | 64.4° | 65.0° |
| C27 | C28 | C29 | C30 | 171.9° | 60.1° |
| C27 | C28 | C29 | H29 | 54.1° | 180.0° |
| C28 | C27 | H271 | H272 | 118.5° | 121.0° |
| H281 | C28 | C29 | N6 | 55.5° | 172.3° |
| H281 | C28 | C29 | C30 | 68.1° | 62.5° |
| H281 | C28 | C29 | H29 | 174.0° | 57.3° |
| H281 | C28 | C27 | H271 | 170.1° | 60.4° |
| H281 | C28 | C27 | H272 | 48.5° | 180.0° |
| H282 | C28 | C29 | N6 | 175.5° | 57.2° |
| H282 | C28 | C29 | C30 | 51.8° | 177.7° |
| H282 | C28 | C29 | H29 | 66.0° | 57.8° |
| H282 | C28 | C27 | H271 | 70.0° | 175.8° |
| H282 | C28 | C27 | H272 | 168.4° | 64.7° |
| C11 | C12 | H121 | H122 | 118.9° | 116.2° |
| C2 | C3 | H31 | H32 | 118.8° | 116.4° |
| C3 | C2 | C1 | H21 | 120.0° | 120.0° |
| C3 | C2 | C1 | H22A | 119.7° | 125.6° |
| C3 | C2 | H21 | H22A | 119.8° | 120.8° |
| C3 | C2 | C1 | O1 | 31.4° | 30.0° |
| C3 | C2 | C1 | O2 | 148.1° | 148.7° |
| H31 | C3 | C2 | C1 | 61.2° | 60.0° |
| H31 | C3 | C2 | H21 | 178.8° | 58.3° |
| H31 | C3 | C2 | H22A | 58.6° | 175.2° |
| H32 | C3 | C2 | C1 | 60.0° | 175.5° |
| H32 | C3 | C2 | H21 | 60.0° | 57.1° |
| H32 | C3 | C2 | H22A | 179.8° | 59.8° |
| C1 | C2 | H21 | H22A | 119.8° | 117.7° |
| C2 | C1 | O1 | O2 | 179.4° | 178.7° |
| C2 | C1 | O2 | HO2 | 179.4° | 178.8° |
| H21 | C2 | C1 | O1 | 88.6° | 90.0° |
| H21 | C2 | C1 | O2 | 91.9° | 91.2° |
| H22A | C2 | C1 | O1 | 151.2° | 155.6° |
| H22A | C2 | C1 | O2 | 28.3° | 23.2° |
| O1 | C1 | O2 | HO2 | 0.0° | 0.0° |
| O11 | C33 | C34 | H341 | 132.0° | 59.3° |
| O11 | C33 | C34 | H342 | 108.0° | 59.4° |
| O11 | C33 | C34 | H343 | 12.1° | 179.9° |
| C33 | C34 | H341 | H342 | 120.0° | 122.8° |
| C33 | C34 | H341 | H343 | 120.0° | 126.3° |
| C33 | C34 | H342 | H343 | 120.0° | 126.3° |
| H341 | C34 | H342 | H343 | 120.0° | 110.9° |
| C18 | C19 | N5 | O6 | 177.9° | 177.7° |
| C18 | C19 | N5 | HN5 | 0.8° | 2.5° |
| H18 | C18 | C19 | N5 | 8.6° | 32.2° |
| H18 | C18 | C19 | O6 | 169.4° | 150.0° |
| O6 | C19 | N5 | HN5 | 177.1° | 179.8° |
| C25 | N6 | C29 | HN6 | 180.0° | 179.4° |
| C25 | N6 | C29 | C30 | 124.3° | 147.7° |
| C25 | N6 | C29 | H29 | 6.3° | 29.9° |
| O7 | C25 | N6 | C29 | 0.8° | 0.1° |
| O7 | C25 | N6 | HN6 | 179.2° | 179.3° |
| N6 | C29 | C30 | H29 | 118.6° | 115.8° |
| N6 | C29 | C30 | C31 | 62.5° | 55.8° |
| N6 | C29 | C30 | H301 | 57.6° | 65.4° |
| N6 | C29 | C30 | H302 | 178.0° | 177.5° |
| HN6 | N6 | C29 | C30 | 55.7° | 32.9° |
| HN6 | N6 | C29 | H29 | 173.7° | 150.7° |
| C29 | C30 | C31 | H301 | 120.0° | 121.4° |
| C29 | C30 | C31 | H302 | 119.5° | 122.6° |
| C29 | C30 | H301 | H302 | 119.5° | 119.5° |
| C29 | C30 | C31 | C32 | 57.4° | 58.6° |
| C29 | C30 | C31 | H311 | 62.6° | 61.0° |
| C29 | C30 | C31 | H312 | 176.8° | 179.6° |
| H29 | C29 | C30 | C31 | 56.1° | 60.0° |
| H29 | C29 | C30 | H301 | 176.1° | 178.8° |
| H29 | C29 | C30 | H302 | 63.4° | 61.7° |
| C31 | C30 | H301 | H302 | 119.6° | 117.2° |
| C30 | C31 | C32 | H311 | 120.0° | 121.6° |
| C30 | C31 | C32 | H312 | 119.4° | 123.2° |
| C30 | C31 | H311 | H312 | 119.4° | 121.7° |
| C30 | C31 | C32 | O9 | 137.8° | 28.4° |
| C30 | C31 | C32 | O10 | 41.8° | 152.4° |
| H301 | C30 | C31 | C32 | 177.4° | 180.0° |
| H301 | C30 | C31 | H311 | 57.4° | 60.5° |
| H301 | C30 | C31 | H312 | 63.2° | 58.2° |
| H302 | C30 | C31 | C32 | 62.1° | 64.1° |
| H302 | C30 | C31 | H311 | 177.9° | 176.4° |
| H302 | C30 | C31 | H312 | 57.2° | 57.7° |
| C32 | C31 | H311 | H312 | 119.4° | 116.9° |
| C31 | C32 | O9 | O10 | 179.5° | 179.1° |
| C31 | C32 | O10 | HO10 | 179.5° | 179.1° |
| H311 | C31 | C32 | O9 | 17.8° | 150.0° |
| H311 | C31 | C32 | O10 | 161.8° | 30.8° |
| H312 | C31 | C32 | O9 | 102.8° | 94.9° |
| H312 | C31 | C32 | O10 | 77.6° | 84.3° |
| O9 | C32 | O10 | HO10 | 0.0° | 0.1° |
