BN6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N8 | sing | 1.38Å | 1.34Å | |
| C1 | O3 | sing | 1.37Å | 1.41Å | |
| C1 | O2 | doub | 1.23Å | 1.24Å | |
| O3 | C4 | sing | 1.43Å | 1.47Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C4 | H41A | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C5 | C7 | sing | 1.53Å | 1.52Å | |
| C5 | H5 | sing | 1.10Å | 1.10Å | |
| C6 | H61 | sing | 1.10Å | 1.10Å | |
| C6 | H62 | sing | 1.10Å | 1.10Å | |
| C6 | H63 | sing | 1.10Å | 1.10Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.10Å | 1.10Å | |
| C7 | H73 | sing | 1.10Å | 1.10Å | |
| N8 | C9 | sing | 1.44Å | 1.46Å | |
| N8 | HN8 | sing | 1.02Å | 1.00Å | |
| C9 | C10 | sing | 1.53Å | 1.54Å | |
| C9 | C16 | sing | 1.52Å | 1.53Å | |
| C9 | H9 | sing | 1.10Å | 1.10Å | |
| C10 | C12 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.54Å | 1.53Å | |
| C10 | H10 | sing | 1.10Å | 1.10Å | |
| C11 | C13 | sing | 1.53Å | 1.53Å | |
| C11 | H111 | sing | 1.10Å | 1.10Å | |
| C11 | H112 | sing | 1.10Å | 1.10Å | |
| C12 | C14 | sing | 1.53Å | 1.53Å | |
| C12 | H121 | sing | 1.10Å | 1.10Å | |
| C12 | H122 | sing | 1.10Å | 1.10Å | |
| C13 | C15 | sing | 1.53Å | 1.54Å | |
| C13 | H131 | sing | 1.10Å | 1.10Å | |
| C13 | H132 | sing | 1.10Å | 1.10Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | H141 | sing | 1.10Å | 1.10Å | |
| C14 | H142 | sing | 1.10Å | 1.10Å | |
| C15 | H151 | sing | 1.10Å | 1.10Å | |
| C15 | H152 | sing | 1.10Å | 1.10Å | |
| C16 | O17 | doub | 1.23Å | 1.24Å | |
| C16 | N18 | sing | 1.39Å | 1.33Å | |
| N18 | N19 | sing | 1.38Å | 1.43Å | |
| N18 | HN18 | sing | 1.02Å | 1.00Å | |
| C20 | O21 | doub | 1.23Å | 1.24Å | |
| C20 | N19 | sing | 1.39Å | 1.34Å | |
| C20 | N26 | sing | 1.39Å | 1.33Å | |
| C22 | N19 | sing | 1.45Å | 1.47Å | |
| C22 | C23 | sing | 1.49Å | 1.53Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C23 | C24 | sing | 1.50Å | 1.52Å | |
| C23 | C25 | sing | 1.50Å | 1.53Å | |
| C23 | H23 | sing | 1.08Å | 1.10Å | |
| C24 | C25 | sing | 1.50Å | 1.54Å | |
| C24 | H241 | sing | 1.08Å | 1.10Å | |
| C24 | H242 | sing | 1.08Å | 1.10Å | |
| C25 | H251 | sing | 1.08Å | 1.10Å | |
| C25 | H252 | sing | 1.08Å | 1.10Å | |
| N26 | C27 | sing | 1.44Å | 1.46Å | |
| N26 | HN26 | sing | 1.02Å | 1.00Å | |
| C27 | C28 | sing | 1.54Å | 1.54Å | |
| C27 | C33 | sing | 1.54Å | 1.55Å | |
| C27 | H27 | sing | 1.10Å | 1.10Å | |
| C28 | C29 | sing | 1.50Å | 1.52Å | |
| C28 | H281 | sing | 1.10Å | 1.10Å | |
| C28 | H282 | sing | 1.10Å | 1.10Å | |
| C29 | C30 | sing | 1.49Å | 1.53Å | |
| C29 | C31 | sing | 1.49Å | 1.53Å | |
| C29 | H29 | sing | 1.08Å | 1.10Å | |
| C30 | C31 | sing | 1.50Å | 1.54Å | |
| C30 | H301 | sing | 1.08Å | 1.10Å | |
| C30 | H302 | sing | 1.08Å | 1.10Å | |
| C31 | H311 | sing | 1.08Å | 1.10Å | |
| C31 | H312 | sing | 1.08Å | 1.10Å | |
| O32 | C33 | sing | 1.42Å | 1.47Å | |
| O32 | HO32 | sing | 0.97Å | 0.95Å | |
| C33 | C39 | sing | 1.53Å | 1.53Å | |
| C33 | H33 | sing | 1.10Å | 1.10Å | |
| O34 | C39 | doub | 1.23Å | 1.22Å | |
| C37 | O38 | doub | 1.23Å | 1.24Å | |
| C37 | N40 | sing | 1.39Å | 1.33Å | |
| C37 | C36 | sing | 1.51Å | 1.51Å | |
| N40 | C41 | sing | 1.45Å | 1.46Å | |
| N40 | HN40 | sing | 1.02Å | 1.00Å | |
| C41 | C42 | sing | 1.52Å | 1.56Å | |
| C41 | C48 | sing | 1.52Å | 1.53Å | |
| C41 | H41 | sing | 1.10Å | 1.10Å | |
| C42 | C44 | doub | 1.38Å | 1.40Å | Aromatic |
| C42 | C43 | sing | 1.38Å | 1.43Å | Aromatic |
| C43 | C45 | doub | 1.39Å | 1.40Å | Aromatic |
| C43 | H43 | sing | 1.09Å | 1.08Å | |
| C44 | C46 | sing | 1.39Å | 1.41Å | Aromatic |
| C44 | H44 | sing | 1.09Å | 1.08Å | |
| C45 | C47 | sing | 1.40Å | 1.39Å | Aromatic |
| C45 | H45 | sing | 1.09Å | 1.08Å | |
| C46 | C47 | doub | 1.39Å | 1.41Å | Aromatic |
| C46 | H46 | sing | 1.09Å | 1.08Å | |
| C47 | H47 | sing | 1.09Å | 1.08Å | |
| C48 | O50 | doub | 1.22Å | 1.23Å | |
| C48 | O49 | sing | 1.36Å | 1.24Å | |
| O49 | HO49 | sing | 0.98Å | 0.95Å | |
| N35 | C36 | sing | 1.44Å | 1.45Å | |
| N35 | C39 | sing | 1.39Å | 1.33Å | |
| N35 | HN35 | sing | 1.02Å | 1.00Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N8 | C1 | O3 | 111.3° | 109.8° |
| N8 | C1 | O2 | 122.4° | 125.6° |
| C1 | N8 | C9 | 122.5° | 123.9° |
| C1 | N8 | HN8 | 118.7° | 118.0° |
| O3 | C1 | O2 | 126.2° | 124.6° |
| C1 | O3 | C4 | 124.1° | 115.9° |
| O3 | C4 | C5 | 118.9° | 109.9° |
| O3 | C4 | H41A | 106.5° | 108.0° |
| O3 | C4 | H42 | 104.2° | 108.5° |
| C5 | C4 | H41A | 106.4° | 110.6° |
| C5 | C4 | H42 | 104.3° | 111.2° |
| C4 | C5 | C6 | 113.1° | 111.4° |
| C4 | C5 | C7 | 112.2° | 110.4° |
| C4 | C5 | H5 | 105.5° | 108.5° |
| H41A | C4 | H42 | 117.2° | 108.6° |
| C6 | C5 | C7 | 111.4° | 110.3° |
| C6 | C5 | H5 | 106.5° | 107.4° |
| C5 | C6 | H61 | 109.5° | 110.7° |
| C5 | C6 | H62 | 109.5° | 111.2° |
| C5 | C6 | H63 | 109.4° | 111.2° |
| C7 | C5 | H5 | 107.5° | 108.7° |
| C5 | C7 | H71 | 109.5° | 110.8° |
| C5 | C7 | H72 | 109.5° | 110.8° |
| C5 | C7 | H73 | 109.4° | 111.3° |
| H61 | C6 | H62 | 109.5° | 107.9° |
| H61 | C6 | H63 | 109.5° | 107.6° |
| H62 | C6 | H63 | 109.5° | 108.0° |
| H71 | C7 | H72 | 109.5° | 107.7° |
| H71 | C7 | H73 | 109.5° | 108.0° |
| H72 | C7 | H73 | 109.5° | 108.0° |
| C9 | N8 | HN8 | 118.8° | 118.1° |
| N8 | C9 | C10 | 110.0° | 111.3° |
| N8 | C9 | C16 | 105.5° | 108.0° |
| N8 | C9 | H9 | 111.8° | 106.9° |
| C10 | C9 | C16 | 109.8° | 110.9° |
| C10 | C9 | H9 | 107.7° | 110.1° |
| C9 | C10 | C12 | 110.5° | 110.7° |
| C9 | C10 | C11 | 111.4° | 110.7° |
| C9 | C10 | H10 | 106.9° | 107.5° |
| C16 | C9 | H9 | 112.0° | 109.5° |
| C9 | C16 | O17 | 119.6° | 123.1° |
| C9 | C16 | N18 | 116.9° | 111.8° |
| C12 | C10 | C11 | 107.7° | 110.9° |
| C12 | C10 | H10 | 110.6° | 108.5° |
| C10 | C12 | C14 | 113.8° | 111.6° |
| C10 | C12 | H121 | 108.0° | 109.8° |
| C10 | C12 | H122 | 107.0° | 109.8° |
| C11 | C10 | H10 | 109.7° | 108.4° |
| C10 | C11 | C13 | 112.9° | 111.6° |
| C10 | C11 | H111 | 108.3° | 109.8° |
| C10 | C11 | H112 | 107.5° | 109.9° |
| C13 | C11 | H111 | 108.3° | 109.2° |
| C13 | C11 | H112 | 107.6° | 109.4° |
| C11 | C13 | C15 | 111.0° | 111.7° |
| C11 | C13 | H131 | 109.0° | 109.6° |
| C11 | C13 | H132 | 108.6° | 109.4° |
| H111 | C11 | H112 | 112.2° | 106.8° |
| C14 | C12 | H121 | 108.1° | 109.3° |
| C14 | C12 | H122 | 107.1° | 109.3° |
| C12 | C14 | C15 | 110.8° | 111.6° |
| C12 | C14 | H141 | 109.0° | 109.5° |
| C12 | C14 | H142 | 108.7° | 109.6° |
| H121 | C12 | H122 | 112.9° | 106.8° |
| C15 | C13 | H131 | 108.9° | 109.7° |
| C15 | C13 | H132 | 108.6° | 109.4° |
| C13 | C15 | C14 | 111.2° | 111.6° |
| C13 | C15 | H151 | 108.9° | 109.7° |
| C13 | C15 | H152 | 108.5° | 109.4° |
| H131 | C13 | H132 | 110.7° | 107.0° |
| C15 | C14 | H141 | 109.0° | 109.4° |
| C15 | C14 | H142 | 108.7° | 109.6° |
| C14 | C15 | H151 | 108.9° | 109.6° |
| C14 | C15 | H152 | 108.5° | 109.4° |
| H141 | C14 | H142 | 110.5° | 106.9° |
| H151 | C15 | H152 | 110.8° | 106.9° |
| O17 | C16 | N18 | 123.5° | 125.0° |
| C16 | N18 | N19 | 116.7° | 119.7° |
| C16 | N18 | HN18 | 121.6° | 120.2° |
| N19 | N18 | HN18 | 121.6° | 120.2° |
| N18 | N19 | C20 | 114.0° | 121.3° |
| N18 | N19 | C22 | 119.2° | 113.5° |
| O21 | C20 | N19 | 121.7° | 123.1° |
| O21 | C20 | N26 | 122.9° | 122.9° |
| N19 | C20 | N26 | 115.4° | 114.0° |
| C20 | N19 | C22 | 122.7° | 125.1° |
| C20 | N26 | C27 | 121.2° | 122.8° |
| C20 | N26 | HN26 | 119.4° | 118.6° |
| N19 | C22 | C23 | 112.5° | 111.1° |
| N19 | C22 | H221 | 108.5° | 107.8° |
| N19 | C22 | H222 | 107.8° | 107.7° |
| C23 | C22 | H221 | 108.5° | 110.6° |
| C23 | C22 | H222 | 107.8° | 110.8° |
| C22 | C23 | C24 | 117.0° | 119.0° |
| C22 | C23 | C25 | 117.8° | 119.0° |
| C22 | C23 | H23 | 93.1° | 112.1° |
| H221 | C22 | H222 | 111.8° | 108.8° |
| C24 | C23 | C25 | 60.6° | 60.1° |
| C24 | C23 | H23 | 135.1° | 118.8° |
| C23 | C24 | C25 | 60.0° | 59.9° |
| C23 | C24 | H241 | 130.8° | 117.6° |
| C23 | C24 | H242 | 136.0° | 118.9° |
| C25 | C23 | H23 | 134.4° | 118.8° |
| C23 | C25 | C24 | 59.3° | 59.9° |
| C23 | C25 | H251 | 131.3° | 118.9° |
| C23 | C25 | H252 | 136.3° | 117.6° |
| C25 | C24 | H241 | 130.9° | 117.8° |
| C25 | C24 | H242 | 136.0° | 117.7° |
| C24 | C25 | H251 | 131.3° | 117.7° |
| C24 | C25 | H252 | 136.4° | 117.7° |
| H241 | C24 | H242 | 74.8° | 114.5° |
| H251 | C25 | H252 | 74.2° | 114.5° |
| C27 | N26 | HN26 | 119.4° | 118.7° |
| N26 | C27 | C28 | 110.7° | 109.1° |
| N26 | C27 | C33 | 112.2° | 110.3° |
| N26 | C27 | H27 | 107.1° | 105.5° |
| C28 | C27 | C33 | 110.5° | 113.4° |
| C28 | C27 | H27 | 108.9° | 108.8° |
| C27 | C28 | C29 | 107.5° | 113.3° |
| C27 | C28 | H281 | 110.1° | 109.0° |
| C27 | C28 | H282 | 110.5° | 110.8° |
| C33 | C27 | H27 | 107.4° | 109.5° |
| C27 | C33 | O32 | 108.1° | 110.8° |
| C27 | C33 | C39 | 103.3° | 112.9° |
| C27 | C33 | H33 | 112.9° | 110.2° |
| C29 | C28 | H281 | 110.1° | 107.9° |
| C29 | C28 | H282 | 110.6° | 109.5° |
| C28 | C29 | C30 | 120.2° | 118.7° |
| C28 | C29 | C31 | 115.6° | 118.8° |
| C28 | C29 | H29 | 92.5° | 111.8° |
| H281 | C28 | H282 | 107.9° | 106.1° |
| C30 | C29 | C31 | 60.3° | 60.3° |
| C30 | C29 | H29 | 133.0° | 119.3° |
| C29 | C30 | C31 | 60.0° | 59.8° |
| C29 | C30 | H301 | 130.9° | 117.4° |
| C29 | C30 | H302 | 136.0° | 119.1° |
| C31 | C29 | H29 | 136.9° | 119.2° |
| C29 | C31 | C30 | 59.7° | 59.8° |
| C29 | C31 | H311 | 131.0° | 119.1° |
| C29 | C31 | H312 | 136.1° | 117.4° |
| C31 | C30 | H301 | 130.9° | 117.7° |
| C31 | C30 | H302 | 136.0° | 117.7° |
| C30 | C31 | H311 | 131.1° | 117.7° |
| C30 | C31 | H312 | 136.1° | 117.8° |
| H301 | C30 | H302 | 74.7° | 114.4° |
| H311 | C31 | H312 | 74.5° | 114.5° |
| C33 | O32 | HO32 | 109.5° | 106.9° |
| O32 | C33 | C39 | 105.3° | 108.8° |
| O32 | C33 | H33 | 111.1° | 106.8° |
| C39 | C33 | H33 | 115.4° | 107.1° |
| C33 | C39 | O34 | 123.0° | 122.4° |
| C33 | C39 | N35 | 113.8° | 112.5° |
| O34 | C39 | N35 | 123.2° | 125.0° |
| O38 | C37 | N40 | 123.7° | 125.2° |
| O38 | C37 | C36 | 122.1° | 123.4° |
| N40 | C37 | C36 | 114.1° | 111.4° |
| C37 | N40 | C41 | 123.5° | 123.3° |
| C37 | N40 | HN40 | 118.3° | 118.4° |
| C37 | C36 | N35 | 110.0° | 109.6° |
| C37 | C36 | H361 | 109.3° | 109.7° |
| C37 | C36 | H362 | 109.2° | 109.9° |
| C41 | N40 | HN40 | 118.3° | 118.4° |
| N40 | C41 | C42 | 113.6° | 112.1° |
| N40 | C41 | C48 | 107.3° | 108.9° |
| N40 | C41 | H41 | 108.6° | 108.5° |
| C42 | C41 | C48 | 110.9° | 111.0° |
| C42 | C41 | H41 | 104.9° | 108.9° |
| C41 | C42 | C44 | 119.7° | 119.1° |
| C41 | C42 | C43 | 122.6° | 119.1° |
| C48 | C41 | H41 | 111.5° | 107.3° |
| C41 | C48 | O50 | 119.8° | 125.8° |
| C41 | C48 | O49 | 120.0° | 112.0° |
| C44 | C42 | C43 | 117.7° | 121.8° |
| C42 | C44 | C46 | 120.1° | 119.1° |
| C42 | C44 | H44 | 120.0° | 121.4° |
| C42 | C43 | C45 | 122.4° | 119.1° |
| C42 | C43 | H43 | 118.8° | 121.4° |
| C45 | C43 | H43 | 118.8° | 119.5° |
| C43 | C45 | C47 | 118.6° | 120.0° |
| C43 | C45 | H45 | 120.7° | 120.0° |
| C46 | C44 | H44 | 120.0° | 119.5° |
| C44 | C46 | C47 | 120.9° | 120.0° |
| C44 | C46 | H46 | 119.6° | 120.0° |
| C47 | C45 | H45 | 120.7° | 120.0° |
| C45 | C47 | C46 | 120.4° | 120.0° |
| C45 | C47 | H47 | 119.8° | 120.0° |
| C47 | C46 | H46 | 119.5° | 120.0° |
| C46 | C47 | H47 | 119.8° | 120.0° |
| O50 | C48 | O49 | 120.1° | 122.2° |
| C48 | O49 | HO49 | 109.5° | 115.1° |
| C36 | N35 | C39 | 123.9° | 122.7° |
| C36 | N35 | HN35 | 118.1° | 118.6° |
| N35 | C36 | H361 | 109.3° | 109.2° |
| N35 | C36 | H362 | 109.2° | 109.2° |
| C39 | N35 | HN35 | 118.1° | 118.7° |
| H361 | C36 | H362 | 109.9° | 109.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N8 | C1 | O3 | O2 | 177.9° | 180.0° |
| N8 | C1 | O3 | C4 | 166.4° | 180.0° |
| C1 | N8 | C9 | HN8 | 180.0° | 180.0° |
| C1 | N8 | C9 | C10 | 162.3° | 150.3° |
| C1 | N8 | C9 | C16 | 79.3° | 87.7° |
| C1 | N8 | C9 | H9 | 42.7° | 30.0° |
| C1 | O3 | C4 | C5 | 104.3° | 180.0° |
| C1 | O3 | C4 | H41A | 135.7° | 59.2° |
| C1 | O3 | C4 | H42 | 11.2° | 58.2° |
| O3 | C1 | N8 | C9 | 178.6° | 180.0° |
| O3 | C1 | N8 | HN8 | 1.3° | 0.0° |
| O2 | C1 | O3 | C4 | 15.7° | 0.0° |
| O2 | C1 | N8 | C9 | 3.4° | 0.0° |
| O2 | C1 | N8 | HN8 | 176.6° | 180.0° |
| O3 | C4 | C5 | H41A | 120.0° | 119.2° |
| O3 | C4 | C5 | H42 | 115.5° | 120.1° |
| O3 | C4 | H41A | H42 | 116.1° | 117.4° |
| O3 | C4 | C5 | C6 | 36.0° | 60.8° |
| O3 | C4 | C5 | C7 | 91.1° | 176.2° |
| O3 | C4 | C5 | H5 | 152.1° | 57.1° |
| C5 | C4 | H41A | H42 | 116.1° | 122.2° |
| C4 | C5 | C6 | C7 | 127.6° | 123.0° |
| C4 | C5 | C6 | H5 | 115.5° | 118.7° |
| C4 | C5 | C7 | H5 | 115.6° | 118.9° |
| C4 | C5 | C6 | H61 | 154.2° | 179.9° |
| C4 | C5 | C6 | H62 | 34.2° | 60.1° |
| C4 | C5 | C6 | H63 | 85.8° | 60.3° |
| C4 | C5 | C7 | H71 | 31.2° | 178.2° |
| C4 | C5 | C7 | H72 | 151.2° | 58.7° |
| C4 | C5 | C7 | H73 | 88.8° | 61.5° |
| H41A | C4 | C5 | C6 | 84.0° | 180.0° |
| H41A | C4 | C5 | C7 | 148.8° | 57.1° |
| H41A | C4 | C5 | H5 | 32.0° | 62.0° |
| H42 | C4 | C5 | C6 | 151.5° | 59.3° |
| H42 | C4 | C5 | C7 | 24.4° | 63.6° |
| H42 | C4 | C5 | H5 | 92.4° | 177.3° |
| C6 | C5 | C7 | H5 | 116.3° | 117.5° |
| C5 | C6 | H61 | H62 | 120.0° | 121.9° |
| C5 | C6 | H61 | H63 | 120.0° | 121.8° |
| C5 | C6 | H62 | H63 | 120.0° | 122.3° |
| C6 | C5 | C7 | H71 | 96.9° | 58.2° |
| C6 | C5 | C7 | H72 | 23.1° | 177.7° |
| C6 | C5 | C7 | H73 | 143.1° | 62.0° |
| C7 | C5 | C6 | H61 | 26.6° | 57.1° |
| C7 | C5 | C6 | H62 | 93.4° | 62.9° |
| C7 | C5 | C6 | H63 | 146.6° | 176.7° |
| C5 | C7 | H71 | H72 | 120.0° | 121.4° |
| C5 | C7 | H71 | H73 | 120.0° | 122.2° |
| C5 | C7 | H72 | H73 | 120.0° | 122.2° |
| H5 | C5 | C6 | H61 | 90.3° | 61.3° |
| H5 | C5 | C6 | H62 | 149.6° | 178.7° |
| H5 | C5 | C6 | H63 | 29.6° | 58.3° |
| H5 | C5 | C7 | H71 | 146.8° | 59.3° |
| H5 | C5 | C7 | H72 | 93.2° | 60.2° |
| H5 | C5 | C7 | H73 | 26.8° | 179.5° |
| H61 | C6 | H62 | H63 | 120.0° | 116.0° |
| H71 | C7 | H72 | H73 | 120.0° | 116.4° |
| N8 | C9 | C10 | C16 | 115.7° | 120.3° |
| N8 | C9 | C10 | H9 | 122.1° | 118.3° |
| N8 | C9 | C16 | H9 | 121.9° | 116.0° |
| N8 | C9 | C10 | C12 | 66.4° | 58.1° |
| N8 | C9 | C10 | C11 | 173.9° | 178.6° |
| N8 | C9 | C10 | H10 | 54.1° | 60.3° |
| N8 | C9 | C16 | O17 | 62.5° | 64.0° |
| N8 | C9 | C16 | N18 | 115.1° | 113.7° |
| HN8 | N8 | C9 | C10 | 17.7° | 29.7° |
| HN8 | N8 | C9 | C16 | 100.7° | 92.3° |
| HN8 | N8 | C9 | H9 | 137.3° | 150.0° |
| C10 | C9 | C16 | H9 | 119.6° | 121.8° |
| C9 | C10 | C12 | C11 | 121.9° | 123.2° |
| C9 | C10 | C12 | H10 | 118.2° | 117.8° |
| C9 | C10 | C11 | H10 | 118.2° | 117.7° |
| C9 | C10 | C11 | C13 | 177.0° | 177.8° |
| C9 | C10 | C11 | H111 | 57.0° | 56.6° |
| C9 | C10 | C11 | H112 | 64.5° | 60.6° |
| C9 | C10 | C12 | C14 | 177.7° | 177.9° |
| C9 | C10 | C12 | H121 | 62.3° | 60.7° |
| C9 | C10 | C12 | H122 | 59.6° | 56.5° |
| C10 | C9 | C16 | O17 | 56.0° | 58.2° |
| C10 | C9 | C16 | N18 | 126.4° | 124.0° |
| C16 | C9 | C10 | C12 | 177.9° | 178.4° |
| C16 | C9 | C10 | C11 | 58.2° | 58.3° |
| C16 | C9 | C10 | H10 | 61.6° | 60.0° |
| C9 | C16 | O17 | N18 | 177.5° | 177.5° |
| C9 | C16 | N18 | N19 | 172.2° | 177.7° |
| C9 | C16 | N18 | HN18 | 7.8° | 2.3° |
| H9 | C9 | C10 | C12 | 55.7° | 60.2° |
| H9 | C9 | C10 | C11 | 64.0° | 63.1° |
| H9 | C9 | C10 | H10 | 176.2° | 178.6° |
| H9 | C9 | C16 | O17 | 175.6° | 180.0° |
| H9 | C9 | C16 | N18 | 6.8° | 2.3° |
| C12 | C10 | C11 | H10 | 120.5° | 119.1° |
| C12 | C10 | C11 | C13 | 55.7° | 54.6° |
| C12 | C10 | C11 | H111 | 64.3° | 66.7° |
| C12 | C10 | C11 | H112 | 174.2° | 176.1° |
| C10 | C12 | C14 | H121 | 120.0° | 121.7° |
| C10 | C12 | C14 | H122 | 118.1° | 121.7° |
| C10 | C12 | H121 | H122 | 118.2° | 119.0° |
| C10 | C12 | C14 | C15 | 56.2° | 54.8° |
| C10 | C12 | C14 | H141 | 63.8° | 66.5° |
| C10 | C12 | C14 | H142 | 175.6° | 176.5° |
| C10 | C11 | C13 | H111 | 120.0° | 121.6° |
| C10 | C11 | C13 | H112 | 118.5° | 121.8° |
| C10 | C11 | H111 | H112 | 118.6° | 119.1° |
| C11 | C10 | C12 | C14 | 55.8° | 54.6° |
| C11 | C10 | C12 | H121 | 175.8° | 176.0° |
| C11 | C10 | C12 | H122 | 62.3° | 66.8° |
| C10 | C11 | C13 | C15 | 56.6° | 54.7° |
| C10 | C11 | C13 | H131 | 176.6° | 176.5° |
| C10 | C11 | C13 | H132 | 62.7° | 66.5° |
| H10 | C10 | C11 | C13 | 64.8° | 64.5° |
| H10 | C10 | C11 | H111 | 175.2° | 174.3° |
| H10 | C10 | C11 | H112 | 53.7° | 57.1° |
| H10 | C10 | C12 | C14 | 64.1° | 64.4° |
| H10 | C10 | C12 | H121 | 55.9° | 57.0° |
| H10 | C10 | C12 | H122 | 177.8° | 174.2° |
| C13 | C11 | H111 | H112 | 118.6° | 118.2° |
| C11 | C13 | C15 | H131 | 120.0° | 121.7° |
| C11 | C13 | C15 | H132 | 119.3° | 121.3° |
| C11 | C13 | H131 | H132 | 119.4° | 118.5° |
| C11 | C13 | C15 | C14 | 54.4° | 54.4° |
| C11 | C13 | C15 | H151 | 65.6° | 176.2° |
| C11 | C13 | C15 | H152 | 173.6° | 66.8° |
| H111 | C11 | C13 | C15 | 63.4° | 66.8° |
| H111 | C11 | C13 | H131 | 56.6° | 54.9° |
| H111 | C11 | C13 | H132 | 177.3° | 171.9° |
| H112 | C11 | C13 | C15 | 175.1° | 176.5° |
| H112 | C11 | C13 | H131 | 64.9° | 61.7° |
| H112 | C11 | C13 | H132 | 55.7° | 55.3° |
| C14 | C12 | H121 | H122 | 118.3° | 118.2° |
| C12 | C14 | C15 | C13 | 53.8° | 54.5° |
| C12 | C14 | C15 | H141 | 120.0° | 121.4° |
| C12 | C14 | C15 | H142 | 119.5° | 121.7° |
| C12 | C14 | H141 | H142 | 119.5° | 118.7° |
| C12 | C14 | C15 | H151 | 66.2° | 176.2° |
| C12 | C14 | C15 | H152 | 173.1° | 66.8° |
| H121 | C12 | C14 | C15 | 176.2° | 176.5° |
| H121 | C12 | C14 | H141 | 56.2° | 55.2° |
| H121 | C12 | C14 | H142 | 64.4° | 61.8° |
| H122 | C12 | C14 | C15 | 61.9° | 66.9° |
| H122 | C12 | C14 | H141 | 178.1° | 171.8° |
| H122 | C12 | C14 | H142 | 57.6° | 54.8° |
| C15 | C13 | H131 | H132 | 119.4° | 118.5° |
| C13 | C15 | C14 | H151 | 120.0° | 121.8° |
| C13 | C15 | C14 | H152 | 119.3° | 121.2° |
| C13 | C15 | C14 | H141 | 66.2° | 66.9° |
| C13 | C15 | C14 | H142 | 173.2° | 176.1° |
| C13 | C15 | H151 | H152 | 119.3° | 118.6° |
| H131 | C13 | C15 | C14 | 174.4° | 176.2° |
| H131 | C13 | C15 | H151 | 54.4° | 62.1° |
| H131 | C13 | C15 | H152 | 66.3° | 54.9° |
| H132 | C13 | C15 | C14 | 65.0° | 66.8° |
| H132 | C13 | C15 | H151 | 175.0° | 54.9° |
| H132 | C13 | C15 | H152 | 54.3° | 171.9° |
| C15 | C14 | H141 | H142 | 119.5° | 118.7° |
| C14 | C15 | H151 | H152 | 119.3° | 118.6° |
| H141 | C14 | C15 | H151 | 173.8° | 54.9° |
| H141 | C14 | C15 | H152 | 53.1° | 171.9° |
| H142 | C14 | C15 | H151 | 53.3° | 62.1° |
| H142 | C14 | C15 | H152 | 67.5° | 54.9° |
| O17 | C16 | N18 | N19 | 10.3° | 0.0° |
| O17 | C16 | N18 | HN18 | 169.7° | 180.0° |
| C16 | N18 | N19 | HN18 | 180.0° | 180.0° |
| C16 | N18 | N19 | C20 | 67.9° | 90.0° |
| C16 | N18 | N19 | C22 | 134.2° | 93.8° |
| N18 | N19 | C20 | O21 | 45.0° | 175.7° |
| N18 | N19 | C20 | C22 | 157.0° | 175.7° |
| N18 | N19 | C20 | N26 | 136.3° | 4.3° |
| N18 | N19 | C22 | C23 | 2.6° | 86.1° |
| N18 | N19 | C22 | H221 | 117.4° | 35.2° |
| N18 | N19 | C22 | H222 | 121.3° | 152.5° |
| HN18 | N18 | N19 | C20 | 112.1° | 90.0° |
| HN18 | N18 | N19 | C22 | 45.8° | 86.2° |
| O21 | C20 | N19 | N26 | 178.7° | 180.0° |
| O21 | C20 | N19 | C22 | 112.0° | 0.0° |
| O21 | C20 | N26 | C27 | 18.6° | 0.1° |
| O21 | C20 | N26 | HN26 | 161.4° | 180.0° |
| C20 | N19 | C22 | C23 | 158.4° | 89.9° |
| C20 | N19 | C22 | H221 | 38.4° | 148.8° |
| C20 | N19 | C22 | H222 | 82.9° | 31.5° |
| N19 | C20 | N26 | C27 | 162.7° | 179.9° |
| N19 | C20 | N26 | HN26 | 17.3° | 0.0° |
| N26 | C20 | N19 | C22 | 66.7° | 180.0° |
| C20 | N26 | C27 | HN26 | 180.0° | 179.9° |
| C20 | N26 | C27 | C28 | 107.7° | 116.8° |
| C20 | N26 | C27 | C33 | 128.4° | 118.0° |
| C20 | N26 | C27 | H27 | 10.9° | 0.1° |
| N19 | C22 | C23 | H221 | 120.0° | 119.6° |
| N19 | C22 | C23 | H222 | 118.7° | 119.6° |
| N19 | C22 | H221 | H222 | 118.8° | 116.5° |
| N19 | C22 | C23 | C24 | 109.0° | 179.6° |
| N19 | C22 | C23 | C25 | 178.3° | 110.4° |
| N19 | C22 | C23 | H23 | 36.5° | 34.7° |
| C23 | C22 | H221 | H222 | 118.7° | 121.9° |
| C22 | C23 | C24 | C25 | 108.3° | 108.8° |
| C22 | C23 | C24 | H23 | 126.7° | 142.7° |
| C22 | C23 | C25 | H23 | 127.1° | 142.8° |
| C22 | C23 | C24 | H241 | 11.7° | 1.0° |
| C22 | C23 | C24 | H242 | 125.0° | 144.1° |
| C22 | C23 | C25 | H251 | 133.1° | 144.3° |
| C22 | C23 | C25 | H252 | 19.7° | 1.0° |
| H221 | C22 | C23 | C24 | 131.0° | 60.0° |
| H221 | C22 | C23 | C25 | 61.7° | 129.9° |
| H221 | C22 | C23 | H23 | 83.5° | 85.0° |
| H222 | C22 | C23 | C24 | 9.7° | 60.7° |
| H222 | C22 | C23 | C25 | 59.6° | 9.2° |
| H222 | C22 | C23 | H23 | 155.2° | 154.3° |
| C24 | C23 | C25 | H23 | 125.9° | 108.5° |
| C23 | C24 | C25 | H241 | 120.0° | 107.4° |
| C23 | C24 | C25 | H242 | 126.7° | 109.0° |
| C23 | C24 | H241 | H242 | 138.6° | 146.7° |
| C24 | C23 | C25 | H251 | 120.0° | 107.1° |
| C24 | C23 | C25 | H252 | 126.7° | 107.7° |
| C23 | C25 | H251 | H252 | 138.8° | 146.3° |
| H23 | C23 | C24 | H241 | 115.0° | 143.7° |
| H23 | C23 | C24 | H242 | 1.7° | 1.5° |
| H23 | C23 | C25 | H251 | 6.0° | 1.5° |
| H23 | C23 | C25 | H252 | 107.4° | 143.8° |
| C25 | C24 | H241 | H242 | 138.6° | 144.7° |
| C24 | C25 | H251 | H252 | 138.8° | 144.6° |
| H241 | C24 | C25 | H251 | 120.0° | 143.5° |
| H241 | C24 | C25 | H252 | 6.7° | 0.0° |
| H242 | C24 | C25 | H251 | 6.7° | 0.0° |
| H242 | C24 | C25 | H252 | 106.7° | 143.5° |
| N26 | C27 | C28 | C33 | 124.9° | 123.3° |
| N26 | C27 | C28 | H27 | 117.4° | 114.6° |
| N26 | C27 | C33 | H27 | 117.3° | 115.6° |
| N26 | C27 | C28 | C29 | 97.6° | 54.6° |
| N26 | C27 | C28 | H281 | 142.4° | 174.7° |
| N26 | C27 | C28 | H282 | 23.2° | 68.9° |
| N26 | C27 | C33 | O32 | 43.1° | 66.7° |
| N26 | C27 | C33 | C39 | 154.4° | 55.6° |
| N26 | C27 | C33 | H33 | 80.2° | 175.3° |
| HN26 | N26 | C27 | C28 | 72.3° | 63.3° |
| HN26 | N26 | C27 | C33 | 51.6° | 61.9° |
| HN26 | N26 | C27 | H27 | 169.1° | 180.0° |
| C28 | C27 | C33 | H27 | 118.6° | 121.7° |
| C27 | C28 | C29 | H281 | 120.0° | 120.7° |
| C27 | C28 | C29 | H282 | 120.8° | 124.3° |
| C27 | C28 | H281 | H282 | 120.8° | 119.4° |
| C27 | C28 | C29 | C30 | 163.1° | 179.3° |
| C27 | C28 | C29 | C31 | 127.8° | 109.4° |
| C27 | C28 | C29 | H29 | 18.5° | 35.7° |
| C28 | C27 | C33 | O32 | 167.1° | 56.0° |
| C28 | C27 | C33 | C39 | 81.6° | 178.3° |
| C28 | C27 | C33 | H33 | 43.8° | 62.0° |
| C33 | C27 | C28 | C29 | 137.5° | 177.9° |
| C33 | C27 | C28 | H281 | 17.5° | 62.0° |
| C33 | C27 | C28 | H282 | 101.7° | 54.4° |
| C27 | C33 | O32 | C39 | 109.9° | 124.6° |
| C27 | C33 | O32 | H33 | 124.4° | 120.0° |
| C27 | C33 | O32 | HO32 | 24.0° | 22.8° |
| C27 | C33 | C39 | H33 | 123.7° | 121.4° |
| C27 | C33 | C39 | O34 | 84.6° | 88.6° |
| C27 | C33 | C39 | N35 | 94.9° | 90.7° |
| H27 | C27 | C28 | C29 | 19.9° | 60.0° |
| H27 | C27 | C28 | H281 | 100.2° | 60.1° |
| H27 | C27 | C28 | H282 | 140.7° | 176.5° |
| H27 | C27 | C33 | O32 | 74.2° | 177.7° |
| H27 | C27 | C33 | C39 | 37.0° | 60.0° |
| H27 | C27 | C33 | H33 | 162.4° | 59.7° |
| C29 | C28 | H281 | H282 | 120.8° | 117.2° |
| C28 | C29 | C30 | C31 | 104.1° | 108.6° |
| C28 | C29 | C30 | H29 | 127.8° | 142.4° |
| C28 | C29 | C31 | H29 | 125.7° | 142.4° |
| C28 | C29 | C30 | H301 | 135.9° | 143.6° |
| C28 | C29 | C30 | H302 | 22.6° | 1.7° |
| C28 | C29 | C31 | H311 | 8.3° | 1.6° |
| C28 | C29 | C31 | H312 | 121.7° | 143.6° |
| H281 | C28 | C29 | C30 | 43.1° | 60.0° |
| H281 | C28 | C29 | C31 | 112.2° | 129.9° |
| H281 | C28 | C29 | H29 | 101.5° | 85.0° |
| H282 | C28 | C29 | C30 | 76.1° | 55.0° |
| H282 | C28 | C29 | C31 | 7.0° | 14.9° |
| H282 | C28 | C29 | H29 | 139.3° | 160.0° |
| C30 | C29 | C31 | H29 | 122.6° | 109.0° |
| C29 | C30 | C31 | H301 | 120.0° | 107.2° |
| C29 | C30 | C31 | H302 | 126.7° | 109.4° |
| C29 | C30 | H301 | H302 | 138.6° | 146.9° |
| C30 | C29 | C31 | H311 | 120.0° | 106.9° |
| C30 | C29 | C31 | H312 | 126.7° | 107.8° |
| C29 | C31 | H311 | H312 | 138.7° | 146.2° |
| H29 | C29 | C30 | H301 | 8.1° | 1.2° |
| H29 | C29 | C30 | H302 | 105.2° | 144.1° |
| H29 | C29 | C31 | H311 | 117.4° | 144.1° |
| H29 | C29 | C31 | H312 | 4.1° | 1.2° |
| C31 | C30 | H301 | H302 | 138.6° | 144.6° |
| C30 | C31 | H311 | H312 | 138.7° | 144.7° |
| H301 | C30 | C31 | H311 | 120.0° | 143.5° |
| H301 | C30 | C31 | H312 | 6.7° | 0.1° |
| H302 | C30 | C31 | H311 | 6.7° | 0.1° |
| H302 | C30 | C31 | H312 | 106.7° | 143.5° |
| O32 | C33 | C39 | H33 | 122.9° | 115.2° |
| O32 | C33 | C39 | O34 | 162.1° | 34.8° |
| O32 | C33 | C39 | N35 | 18.4° | 145.9° |
| HO32 | O32 | C33 | C39 | 85.9° | 101.9° |
| HO32 | O32 | C33 | H33 | 148.4° | 142.8° |
| C33 | C39 | O34 | N35 | 179.4° | 179.1° |
| C33 | C39 | N35 | C36 | 153.8° | 179.2° |
| C33 | C39 | N35 | HN35 | 26.2° | 0.7° |
| H33 | C33 | C39 | O34 | 39.2° | 150.0° |
| H33 | C33 | C39 | N35 | 141.4° | 30.8° |
| O34 | C39 | N35 | C36 | 26.7° | 0.1° |
| O34 | C39 | N35 | HN35 | 153.3° | 179.9° |
| O38 | C37 | N40 | C36 | 179.7° | 179.9° |
| O38 | C37 | N40 | C41 | 0.3° | 0.0° |
| O38 | C37 | N40 | HN40 | 179.8° | 180.0° |
| O38 | C37 | C36 | N35 | 23.0° | 0.0° |
| O38 | C37 | C36 | H361 | 143.0° | 119.9° |
| O38 | C37 | C36 | H362 | 96.8° | 119.9° |
| C37 | N40 | C41 | HN40 | 180.0° | 180.0° |
| C37 | N40 | C41 | C42 | 74.9° | 88.3° |
| C37 | N40 | C41 | C48 | 162.1° | 148.5° |
| C37 | N40 | C41 | H41 | 41.5° | 32.0° |
| N40 | C37 | C36 | N35 | 157.3° | 179.8° |
| N40 | C37 | C36 | H361 | 37.3° | 60.0° |
| N40 | C37 | C36 | H362 | 82.9° | 60.2° |
| C36 | C37 | N40 | C41 | 179.4° | 179.9° |
| C36 | C37 | N40 | HN40 | 0.6° | 0.1° |
| C37 | C36 | N35 | H361 | 120.0° | 120.1° |
| C37 | C36 | N35 | H362 | 119.8° | 120.4° |
| C37 | C36 | N35 | C39 | 100.5° | 89.9° |
| C37 | C36 | N35 | HN35 | 79.5° | 89.9° |
| C37 | C36 | H361 | H362 | 119.8° | 120.5° |
| N40 | C41 | C42 | C48 | 121.0° | 122.0° |
| N40 | C41 | C42 | H41 | 118.5° | 120.0° |
| N40 | C41 | C48 | H41 | 118.8° | 117.2° |
| N40 | C41 | C42 | C44 | 137.4° | 148.0° |
| N40 | C41 | C42 | C43 | 43.7° | 32.0° |
| N40 | C41 | C48 | O50 | 148.5° | 177.2° |
| N40 | C41 | C48 | O49 | 31.4° | 1.6° |
| HN40 | N40 | C41 | C42 | 105.1° | 91.7° |
| HN40 | N40 | C41 | C48 | 17.9° | 31.5° |
| HN40 | N40 | C41 | H41 | 138.6° | 148.0° |
| C42 | C41 | C48 | H41 | 116.5° | 118.9° |
| C41 | C42 | C44 | C43 | 179.0° | 179.9° |
| C41 | C42 | C43 | C45 | 178.3° | 180.0° |
| C41 | C42 | C43 | H43 | 1.7° | 0.0° |
| C41 | C42 | C44 | C46 | 178.4° | 180.0° |
| C41 | C42 | C44 | H44 | 1.6° | 0.1° |
| C42 | C41 | C48 | O50 | 86.8° | 58.9° |
| C42 | C41 | C48 | O49 | 93.3° | 122.2° |
| C48 | C41 | C42 | C44 | 101.6° | 89.9° |
| C48 | C41 | C42 | C43 | 77.3° | 90.0° |
| C41 | C48 | O50 | O49 | 179.9° | 178.7° |
| C41 | C48 | O49 | HO49 | 179.9° | 178.9° |
| H41 | C41 | C42 | C44 | 18.9° | 28.0° |
| H41 | C41 | C42 | C43 | 162.2° | 152.1° |
| H41 | C41 | C48 | O50 | 29.7° | 60.0° |
| H41 | C41 | C48 | O49 | 150.2° | 118.9° |
| C44 | C42 | C43 | C45 | 0.7° | 0.0° |
| C44 | C42 | C43 | H43 | 179.3° | 180.0° |
| C42 | C44 | C46 | H44 | 180.0° | 179.9° |
| C42 | C44 | C46 | C47 | 0.5° | 0.0° |
| C42 | C44 | C46 | H46 | 179.5° | 180.0° |
| C42 | C43 | C45 | H43 | 180.0° | 180.0° |
| C43 | C42 | C44 | C46 | 0.6° | 0.0° |
| C43 | C42 | C44 | H44 | 179.4° | 180.0° |
| C42 | C43 | C45 | C47 | 0.7° | 0.0° |
| C42 | C43 | C45 | H45 | 179.4° | 180.0° |
| C43 | C45 | C47 | H45 | 180.0° | 180.0° |
| C43 | C45 | C47 | C46 | 0.5° | 0.0° |
| C43 | C45 | C47 | H47 | 179.5° | 180.0° |
| H43 | C43 | C45 | C47 | 179.3° | 180.0° |
| H43 | C43 | C45 | H45 | 0.6° | 0.0° |
| C44 | C46 | C47 | C45 | 0.4° | 0.0° |
| C44 | C46 | C47 | H46 | 180.0° | 180.0° |
| C44 | C46 | C47 | H47 | 179.6° | 180.0° |
| H44 | C44 | C46 | C47 | 179.5° | 179.9° |
| H44 | C44 | C46 | H46 | 0.5° | 0.0° |
| C45 | C47 | C46 | H47 | 180.0° | 179.9° |
| C45 | C47 | C46 | H46 | 179.6° | 180.0° |
| H45 | C45 | C47 | C46 | 179.5° | 180.0° |
| H45 | C45 | C47 | H47 | 0.4° | 0.1° |
| H46 | C46 | C47 | H47 | 0.4° | 0.1° |
| O50 | C48 | O49 | HO49 | 0.0° | 0.0° |
| C36 | N35 | C39 | HN35 | 180.0° | 179.9° |
| N35 | C36 | H361 | H362 | 119.8° | 119.4° |
| C39 | N35 | C36 | H361 | 139.5° | 30.2° |
| C39 | N35 | C36 | H362 | 19.3° | 149.7° |
| HN35 | N35 | C36 | H361 | 40.5° | 149.9° |
| HN35 | N35 | C36 | H362 | 160.7° | 30.4° |
