3BC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O2 | doub | 1.21Å | 1.24Å | |
| C1 | O3 | sing | 1.35Å | 1.36Å | |
| C1 | N8 | sing | 1.35Å | 1.33Å | |
| O3 | C4 | sing | 1.45Å | 1.45Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| C4 | C6 | sing | 1.53Å | 1.54Å | |
| C4 | C7 | sing | 1.53Å | 1.53Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C5 | H53 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C6 | H63 | sing | 1.09Å | 1.10Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C7 | H73 | sing | 1.09Å | 1.10Å | |
| N8 | C9 | sing | 1.47Å | 1.46Å | |
| N8 | HN8 | sing | 0.97Å | 1.00Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | C14 | sing | 1.51Å | 1.52Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.53Å | 1.56Å | |
| C10 | C12 | sing | 1.53Å | 1.53Å | |
| C10 | C13 | sing | 1.53Å | 1.55Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H113 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H123 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H133 | sing | 1.09Å | 1.10Å | |
| C14 | O15 | doub | 1.21Å | 1.24Å | |
| C14 | N16 | sing | 1.35Å | 1.34Å | |
| N16 | C17 | sing | 1.49Å | 1.47Å | |
| N16 | C18 | sing | 1.48Å | 1.46Å | |
| C17 | C20 | sing | 1.54Å | 1.50Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C18 | C19 | sing | 1.54Å | 1.50Å | |
| C18 | C24 | sing | 1.51Å | 1.52Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | C20 | sing | 1.54Å | 1.49Å | |
| C19 | C21 | sing | 1.53Å | 1.52Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | C21 | sing | 1.57Å | 1.53Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | C22 | sing | 1.53Å | 1.50Å | |
| C21 | C23 | sing | 1.53Å | 1.51Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H223 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H233 | sing | 1.09Å | 1.10Å | |
| C24 | O25 | doub | 1.21Å | 1.23Å | |
| C24 | N26 | sing | 1.35Å | 1.33Å | |
| N26 | C27 | sing | 1.46Å | 1.46Å | |
| N26 | HN26 | sing | 0.97Å | 1.00Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C27 | C33 | sing | 1.51Å | 1.57Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| 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 | 1.53Å | |
| C29 | C31 | sing | 1.53Å | 1.53Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| O32 | C33 | doub | 1.21Å | 1.48Å | |
| C33 | C39 | sing | 1.49Å | 1.52Å | |
| O34 | C39 | doub | 1.21Å | 1.23Å | |
| N35 | C36 | sing | 1.46Å | 1.45Å | |
| N35 | C39 | sing | 1.35Å | 1.33Å | |
| N35 | HN35 | sing | 0.97Å | 1.00Å | |
| C36 | C37 | sing | 1.51Å | 1.51Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C37 | O38 | doub | 1.21Å | 1.24Å | |
| C37 | N40 | sing | 1.35Å | 1.33Å | |
| N40 | C41 | sing | 1.47Å | 1.46Å | |
| N40 | HN40 | sing | 0.97Å | 1.00Å | |
| C41 | C42 | sing | 1.51Å | 1.55Å | |
| C41 | C48 | sing | 1.51Å | 1.53Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| C42 | C43 | sing | 1.38Å | 1.40Å | Aromatic |
| C42 | C44 | doub | 1.38Å | 1.40Å | Aromatic |
| C43 | C45 | doub | 1.38Å | 1.39Å | Aromatic |
| C43 | H43 | sing | 1.08Å | 1.08Å | |
| C44 | C46 | sing | 1.38Å | 1.39Å | Aromatic |
| C44 | H44 | sing | 1.08Å | 1.08Å | |
| C45 | C47 | sing | 1.38Å | 1.40Å | Aromatic |
| C45 | H45 | sing | 1.08Å | 1.08Å | |
| C46 | C47 | doub | 1.38Å | 1.40Å | Aromatic |
| C46 | H46 | sing | 1.08Å | 1.08Å | |
| C47 | H47 | sing | 1.08Å | 1.08Å | |
| C48 | O49 | doub | 1.21Å | 1.24Å | |
| C48 | N50 | sing | 1.35Å | 1.34Å | |
| N50 | C51 | sing | 1.47Å | 1.44Å | |
| N50 | C52 | sing | 1.47Å | 1.46Å | |
| C51 | H511 | sing | 1.09Å | 1.10Å | |
| C51 | H512 | sing | 1.09Å | 1.10Å | |
| C51 | H513 | sing | 1.09Å | 1.10Å | |
| C52 | H521 | sing | 1.09Å | 1.10Å | |
| C52 | H522 | sing | 1.09Å | 1.10Å | |
| C52 | H523 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C1 | O3 | 124.8° | 120.0° |
| O2 | C1 | N8 | 123.2° | 120.0° |
| O3 | C1 | N8 | 112.0° | 120.0° |
| C1 | O3 | C4 | 125.6° | 120.0° |
| C1 | N8 | C9 | 122.9° | 120.0° |
| C1 | N8 | HN8 | 118.6° | 120.0° |
| O3 | C4 | C5 | 111.3° | 109.5° |
| O3 | C4 | C6 | 104.5° | 109.4° |
| O3 | C4 | C7 | 111.0° | 109.4° |
| C5 | C4 | C6 | 111.7° | 109.5° |
| C5 | C4 | C7 | 110.1° | 109.5° |
| C4 | C5 | H51 | 109.5° | 109.5° |
| C4 | C5 | H52 | 109.5° | 109.5° |
| C4 | C5 | H53 | 109.5° | 109.5° |
| C6 | C4 | C7 | 108.1° | 109.5° |
| C4 | C6 | H61 | 109.5° | 109.5° |
| C4 | C6 | H62 | 109.5° | 109.5° |
| C4 | C6 | H63 | 109.4° | 109.5° |
| C4 | C7 | H71 | 109.5° | 109.5° |
| C4 | C7 | H72 | 109.4° | 109.5° |
| C4 | C7 | H73 | 109.5° | 109.5° |
| H51 | C5 | H52 | 109.5° | 109.4° |
| H51 | C5 | H53 | 109.5° | 109.4° |
| H52 | C5 | H53 | 109.5° | 109.5° |
| H61 | C6 | H62 | 109.5° | 109.4° |
| H61 | C6 | H63 | 109.4° | 109.5° |
| H62 | C6 | H63 | 109.5° | 109.4° |
| H71 | C7 | H72 | 109.5° | 109.5° |
| H71 | C7 | H73 | 109.4° | 109.5° |
| H72 | C7 | H73 | 109.5° | 109.4° |
| C9 | N8 | HN8 | 118.5° | 120.0° |
| N8 | C9 | C10 | 111.4° | 109.5° |
| N8 | C9 | C14 | 112.1° | 109.4° |
| N8 | C9 | H9 | 107.5° | 109.5° |
| C10 | C9 | C14 | 113.0° | 109.5° |
| C10 | C9 | H9 | 106.6° | 109.5° |
| C9 | C10 | C11 | 108.9° | 109.5° |
| C9 | C10 | C12 | 108.6° | 109.5° |
| C9 | C10 | C13 | 110.1° | 109.5° |
| C14 | C9 | H9 | 105.8° | 109.5° |
| C9 | C14 | O15 | 120.9° | 120.0° |
| C9 | C14 | N16 | 116.5° | 120.0° |
| C11 | C10 | C12 | 109.5° | 109.5° |
| C11 | C10 | C13 | 112.0° | 109.5° |
| C10 | C11 | H111 | 109.5° | 109.5° |
| C10 | C11 | H112 | 109.4° | 109.5° |
| C10 | C11 | H113 | 109.5° | 109.5° |
| C12 | C10 | C13 | 107.6° | 109.5° |
| C10 | C12 | H121 | 109.5° | 109.5° |
| C10 | C12 | H122 | 109.5° | 109.4° |
| C10 | C12 | H123 | 109.4° | 109.4° |
| C10 | C13 | H131 | 109.5° | 109.5° |
| C10 | C13 | H132 | 109.5° | 109.5° |
| C10 | C13 | H133 | 109.5° | 109.4° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H111 | C11 | H113 | 109.4° | 109.4° |
| H112 | C11 | H113 | 109.5° | 109.4° |
| H121 | C12 | H122 | 109.4° | 109.5° |
| H121 | C12 | H123 | 109.5° | 109.5° |
| H122 | C12 | H123 | 109.5° | 109.5° |
| H131 | C13 | H132 | 109.5° | 109.5° |
| H131 | C13 | H133 | 109.4° | 109.5° |
| H132 | C13 | H133 | 109.5° | 109.4° |
| O15 | C14 | N16 | 122.6° | 120.0° |
| C14 | N16 | C17 | 126.1° | 127.9° |
| C14 | N16 | C18 | 122.4° | 128.4° |
| C17 | N16 | C18 | 111.5° | 103.7° |
| N16 | C17 | C20 | 102.6° | 104.2° |
| N16 | C17 | H171 | 111.8° | 111.7° |
| N16 | C17 | H172 | 113.3° | 109.5° |
| N16 | C18 | C19 | 107.9° | 104.7° |
| N16 | C18 | C24 | 111.4° | 110.4° |
| N16 | C18 | H18 | 112.7° | 110.4° |
| C20 | C17 | H171 | 111.8° | 110.4° |
| C20 | C17 | H172 | 113.3° | 110.4° |
| C17 | C20 | C19 | 111.8° | 105.0° |
| C17 | C20 | C21 | 114.9° | 119.0° |
| C17 | C20 | H20 | 97.7° | 117.6° |
| H171 | C17 | H172 | 104.3° | 110.5° |
| C19 | C18 | C24 | 117.9° | 110.4° |
| C19 | C18 | H18 | 105.3° | 110.4° |
| C18 | C19 | C20 | 103.0° | 104.9° |
| C18 | C19 | C21 | 127.3° | 118.1° |
| C18 | C19 | H19 | 96.4° | 117.6° |
| C24 | C18 | H18 | 101.3° | 110.4° |
| C18 | C24 | O25 | 121.0° | 120.0° |
| C18 | C24 | N26 | 115.7° | 119.9° |
| C20 | C19 | C21 | 61.1° | 61.5° |
| C20 | C19 | H19 | 146.0° | 121.9° |
| C19 | C20 | C21 | 60.6° | 58.8° |
| C19 | C20 | H20 | 136.4° | 121.8° |
| C21 | C19 | H19 | 125.3° | 119.6° |
| C19 | C21 | C20 | 58.4° | 59.7° |
| C19 | C21 | C22 | 118.4° | 117.7° |
| C19 | C21 | C23 | 118.9° | 117.7° |
| C21 | C20 | H20 | 133.7° | 119.8° |
| C20 | C21 | C22 | 115.8° | 117.4° |
| C20 | C21 | C23 | 120.1° | 117.4° |
| C22 | C21 | C23 | 114.2° | 115.5° |
| C21 | C22 | H221 | 109.5° | 109.5° |
| C21 | C22 | H222 | 109.4° | 109.4° |
| C21 | C22 | H223 | 109.4° | 109.4° |
| C21 | C23 | H231 | 109.5° | 109.5° |
| C21 | C23 | H232 | 109.4° | 109.5° |
| C21 | C23 | H233 | 109.5° | 109.5° |
| H221 | C22 | H222 | 109.4° | 109.5° |
| H221 | C22 | H223 | 109.5° | 109.5° |
| H222 | C22 | H223 | 109.5° | 109.5° |
| H231 | C23 | H232 | 109.4° | 109.5° |
| H231 | C23 | H233 | 109.5° | 109.5° |
| H232 | C23 | H233 | 109.5° | 109.5° |
| O25 | C24 | N26 | 123.3° | 120.0° |
| C24 | N26 | C27 | 121.5° | 120.0° |
| C24 | N26 | HN26 | 119.3° | 120.0° |
| C27 | N26 | HN26 | 119.3° | 120.0° |
| N26 | C27 | C28 | 110.6° | 109.5° |
| N26 | C27 | C33 | 107.7° | 109.4° |
| N26 | C27 | H27 | 110.5° | 109.5° |
| C28 | C27 | C33 | 111.2° | 109.4° |
| C28 | C27 | H27 | 106.9° | 109.5° |
| C27 | C28 | C29 | 111.4° | 109.4° |
| C27 | C28 | H281 | 108.9° | 109.5° |
| C27 | C28 | H282 | 108.4° | 109.5° |
| C33 | C27 | H27 | 109.9° | 109.5° |
| C27 | C33 | O32 | 108.7° | 120.0° |
| C27 | C33 | C39 | 98.1° | 120.0° |
| C29 | C28 | H281 | 108.8° | 109.5° |
| C29 | C28 | H282 | 108.4° | 109.5° |
| C28 | C29 | C30 | 124.6° | 117.5° |
| C28 | C29 | C31 | 122.3° | 117.5° |
| C28 | C29 | H29 | 85.6° | 115.6° |
| H281 | C28 | H282 | 111.0° | 109.5° |
| C30 | C29 | C31 | 60.0° | 60.0° |
| C30 | C29 | H29 | 134.1° | 117.5° |
| C29 | C30 | C31 | 59.8° | 60.0° |
| C29 | C30 | H301 | 131.0° | 117.5° |
| C29 | C30 | H302 | 136.1° | 117.5° |
| C31 | C29 | H29 | 136.1° | 117.5° |
| C29 | C31 | C30 | 60.2° | 60.0° |
| C29 | C31 | H311 | 130.8° | 117.4° |
| C29 | C31 | H312 | 135.9° | 117.5° |
| C31 | C30 | H301 | 131.0° | 117.5° |
| C31 | C30 | H302 | 136.1° | 117.5° |
| C30 | C31 | H311 | 130.8° | 117.5° |
| C30 | C31 | H312 | 135.9° | 117.5° |
| H301 | C30 | H302 | 74.7° | 115.5° |
| H311 | C31 | H312 | 74.8° | 115.6° |
| O32 | C33 | C39 | 106.4° | 120.0° |
| C33 | C39 | O34 | 122.0° | 120.0° |
| C33 | C39 | N35 | 114.5° | 120.0° |
| O34 | C39 | N35 | 123.5° | 119.9° |
| C36 | N35 | C39 | 124.0° | 120.0° |
| C36 | N35 | HN35 | 118.0° | 120.0° |
| N35 | C36 | C37 | 112.4° | 109.5° |
| N35 | C36 | H361 | 108.5° | 109.5° |
| N35 | C36 | H362 | 107.8° | 109.5° |
| C39 | N35 | HN35 | 118.0° | 120.0° |
| C37 | C36 | H361 | 108.5° | 109.5° |
| C37 | C36 | H362 | 107.8° | 109.5° |
| C36 | C37 | O38 | 121.6° | 120.0° |
| C36 | C37 | N40 | 115.0° | 120.0° |
| H361 | C36 | H362 | 111.8° | 109.5° |
| O38 | C37 | N40 | 123.5° | 120.0° |
| C37 | N40 | C41 | 122.1° | 120.0° |
| C37 | N40 | HN40 | 119.0° | 119.9° |
| C41 | N40 | HN40 | 118.9° | 120.0° |
| N40 | C41 | C42 | 112.8° | 109.5° |
| N40 | C41 | C48 | 110.6° | 109.4° |
| N40 | C41 | H41 | 106.6° | 109.4° |
| C42 | C41 | C48 | 110.3° | 109.5° |
| C42 | C41 | H41 | 107.0° | 109.5° |
| C41 | C42 | C43 | 121.5° | 120.1° |
| C41 | C42 | C44 | 119.4° | 120.0° |
| C48 | C41 | H41 | 109.3° | 109.4° |
| C41 | C48 | O49 | 120.8° | 120.0° |
| C41 | C48 | N50 | 117.4° | 120.0° |
| C43 | C42 | C44 | 119.1° | 120.0° |
| C42 | C43 | C45 | 120.7° | 120.0° |
| C42 | C43 | H43 | 119.7° | 120.0° |
| C42 | C44 | C46 | 120.7° | 120.0° |
| C42 | C44 | H44 | 119.7° | 120.0° |
| C45 | C43 | H43 | 119.6° | 120.0° |
| C43 | C45 | C47 | 119.7° | 120.0° |
| C43 | C45 | H45 | 120.2° | 120.0° |
| C46 | C44 | H44 | 119.7° | 119.9° |
| C44 | C46 | C47 | 119.6° | 120.0° |
| C44 | C46 | H46 | 120.2° | 120.0° |
| C47 | C45 | H45 | 120.2° | 120.0° |
| C45 | C47 | C46 | 120.2° | 120.0° |
| C45 | C47 | H47 | 119.9° | 120.0° |
| C47 | C46 | H46 | 120.2° | 120.0° |
| C46 | C47 | H47 | 119.9° | 120.0° |
| O49 | C48 | N50 | 121.9° | 120.0° |
| C48 | N50 | C51 | 119.5° | 120.0° |
| C48 | N50 | C52 | 124.3° | 120.0° |
| C51 | N50 | C52 | 116.2° | 120.0° |
| N50 | C51 | H511 | 109.5° | 109.5° |
| N50 | C51 | H512 | 109.4° | 109.5° |
| N50 | C51 | H513 | 109.5° | 109.5° |
| N50 | C52 | H521 | 109.5° | 109.5° |
| N50 | C52 | H522 | 109.5° | 109.5° |
| N50 | C52 | H523 | 109.5° | 109.4° |
| H511 | C51 | H512 | 109.4° | 109.5° |
| H511 | C51 | H513 | 109.4° | 109.5° |
| H512 | C51 | H513 | 109.5° | 109.4° |
| H521 | C52 | H522 | 109.4° | 109.5° |
| H521 | C52 | H523 | 109.4° | 109.5° |
| H522 | C52 | H523 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C1 | O3 | N8 | 178.1° | 180.0° |
| O2 | C1 | O3 | C4 | 3.3° | 0.1° |
| O2 | C1 | N8 | C9 | 2.4° | 0.0° |
| O2 | C1 | N8 | HN8 | 177.6° | 180.0° |
| C1 | O3 | C4 | C5 | 68.2° | 60.0° |
| C1 | O3 | C4 | C6 | 171.1° | 180.0° |
| C1 | O3 | C4 | C7 | 54.9° | 60.0° |
| O3 | C1 | N8 | C9 | 179.5° | 180.0° |
| O3 | C1 | N8 | HN8 | 0.5° | 0.0° |
| N8 | C1 | O3 | C4 | 178.5° | 180.0° |
| C1 | N8 | C9 | HN8 | 180.0° | 180.0° |
| C1 | N8 | C9 | C10 | 150.1° | 85.0° |
| C1 | N8 | C9 | C14 | 82.1° | 155.0° |
| C1 | N8 | C9 | H9 | 33.7° | 35.0° |
| O3 | C4 | C5 | C6 | 116.4° | 120.0° |
| O3 | C4 | C5 | C7 | 123.6° | 120.0° |
| O3 | C4 | C6 | C7 | 118.3° | 120.0° |
| O3 | C4 | C5 | H51 | 130.2° | 60.0° |
| O3 | C4 | C5 | H52 | 10.2° | 180.0° |
| O3 | C4 | C5 | H53 | 109.8° | 60.0° |
| O3 | C4 | C6 | H61 | 143.7° | 60.0° |
| O3 | C4 | C6 | H62 | 23.6° | 180.0° |
| O3 | C4 | C6 | H63 | 96.4° | 60.1° |
| O3 | C4 | C7 | H71 | 56.1° | 60.0° |
| O3 | C4 | C7 | H72 | 63.9° | 179.9° |
| O3 | C4 | C7 | H73 | 176.1° | 60.0° |
| C5 | C4 | C6 | C7 | 121.2° | 120.0° |
| C4 | C5 | H51 | H52 | 120.0° | 120.0° |
| C4 | C5 | H51 | H53 | 120.0° | 120.0° |
| C4 | C5 | H52 | H53 | 120.0° | 120.1° |
| C5 | C4 | C6 | H61 | 23.2° | 180.0° |
| C5 | C4 | C6 | H62 | 96.8° | 60.0° |
| C5 | C4 | C6 | H63 | 143.2° | 60.0° |
| C5 | C4 | C7 | H71 | 179.8° | 60.0° |
| C5 | C4 | C7 | H72 | 59.8° | 60.0° |
| C5 | C4 | C7 | H73 | 60.2° | 179.9° |
| C6 | C4 | C5 | H51 | 113.4° | 60.0° |
| C6 | C4 | C5 | H52 | 126.6° | 60.0° |
| C6 | C4 | C5 | H53 | 6.6° | 180.0° |
| C4 | C6 | H61 | H62 | 120.0° | 120.0° |
| C4 | C6 | H61 | H63 | 120.0° | 120.1° |
| C4 | C6 | H62 | H63 | 120.0° | 120.0° |
| C6 | C4 | C7 | H71 | 58.0° | 180.0° |
| C6 | C4 | C7 | H72 | 178.0° | 60.0° |
| C6 | C4 | C7 | H73 | 62.0° | 59.9° |
| C7 | C4 | C5 | H51 | 6.6° | 180.0° |
| C7 | C4 | C5 | H52 | 113.4° | 60.0° |
| C7 | C4 | C5 | H53 | 126.6° | 60.0° |
| C7 | C4 | C6 | H61 | 98.0° | 60.0° |
| C7 | C4 | C6 | H62 | 142.0° | 60.0° |
| C7 | C4 | C6 | H63 | 22.0° | 180.0° |
| C4 | C7 | H71 | H72 | 120.0° | 120.0° |
| C4 | C7 | H71 | H73 | 120.0° | 120.0° |
| C4 | C7 | H72 | H73 | 120.0° | 120.0° |
| H51 | C5 | H52 | H53 | 120.0° | 119.9° |
| H61 | C6 | H62 | H63 | 120.0° | 120.0° |
| H71 | C7 | H72 | H73 | 120.0° | 120.0° |
| N8 | C9 | C10 | C14 | 127.3° | 120.0° |
| N8 | C9 | C10 | H9 | 117.0° | 120.0° |
| N8 | C9 | C14 | H9 | 116.9° | 120.0° |
| N8 | C9 | C10 | C11 | 174.3° | 178.7° |
| N8 | C9 | C10 | C12 | 66.5° | 58.7° |
| N8 | C9 | C10 | C13 | 51.2° | 61.3° |
| N8 | C9 | C14 | O15 | 66.2° | 29.3° |
| N8 | C9 | C14 | N16 | 113.1° | 150.7° |
| HN8 | N8 | C9 | C10 | 29.9° | 95.0° |
| HN8 | N8 | C9 | C14 | 97.9° | 25.0° |
| HN8 | N8 | C9 | H9 | 146.3° | 144.9° |
| C10 | C9 | C14 | H9 | 116.2° | 120.0° |
| C9 | C10 | C11 | C12 | 118.7° | 120.0° |
| C9 | C10 | C11 | C13 | 122.0° | 120.0° |
| C9 | C10 | C12 | C13 | 119.2° | 120.0° |
| C9 | C10 | C11 | H111 | 168.2° | 55.0° |
| C9 | C10 | C11 | H112 | 71.8° | 175.0° |
| C9 | C10 | C11 | H113 | 48.2° | 65.0° |
| C9 | C10 | C12 | H121 | 151.4° | 60.0° |
| C9 | C10 | C12 | H122 | 88.7° | 180.0° |
| C9 | C10 | C12 | H123 | 31.4° | 60.0° |
| C9 | C10 | C13 | H131 | 37.1° | 60.0° |
| C9 | C10 | C13 | H132 | 157.1° | 179.9° |
| C9 | C10 | C13 | H133 | 82.9° | 60.0° |
| C10 | C9 | C14 | O15 | 60.8° | 90.7° |
| C10 | C9 | C14 | N16 | 119.9° | 89.4° |
| C14 | C9 | C10 | C11 | 47.0° | 61.3° |
| C14 | C9 | C10 | C12 | 166.2° | 178.7° |
| C14 | C9 | C10 | C13 | 76.1° | 58.7° |
| C9 | C14 | O15 | N16 | 179.3° | 179.9° |
| C9 | C14 | N16 | C17 | 1.0° | 2.5° |
| C9 | C14 | N16 | C18 | 179.9° | 176.0° |
| H9 | C9 | C10 | C11 | 68.7° | 58.7° |
| H9 | C9 | C10 | C12 | 50.5° | 61.3° |
| H9 | C9 | C10 | C13 | 168.1° | 178.7° |
| H9 | C9 | C14 | O15 | 176.9° | 149.3° |
| H9 | C9 | C14 | N16 | 3.7° | 30.7° |
| C11 | C10 | C12 | C13 | 122.0° | 120.0° |
| C10 | C11 | H111 | H112 | 120.0° | 120.0° |
| C10 | C11 | H111 | H113 | 120.0° | 120.0° |
| C10 | C11 | H112 | H113 | 120.0° | 120.0° |
| C11 | C10 | C12 | H121 | 89.8° | 180.0° |
| C11 | C10 | C12 | H122 | 30.2° | 60.0° |
| C11 | C10 | C12 | H123 | 150.2° | 60.0° |
| C11 | C10 | C13 | H131 | 84.3° | 60.0° |
| C11 | C10 | C13 | H132 | 35.8° | 60.1° |
| C11 | C10 | C13 | H133 | 155.8° | 180.0° |
| C12 | C10 | C11 | H111 | 49.5° | 65.0° |
| C12 | C10 | C11 | H112 | 169.5° | 55.0° |
| C12 | C10 | C11 | H113 | 70.5° | 175.0° |
| C10 | C12 | H121 | H122 | 120.0° | 120.0° |
| C10 | C12 | H121 | H123 | 120.0° | 120.0° |
| C10 | C12 | H122 | H123 | 120.0° | 120.0° |
| C12 | C10 | C13 | H131 | 155.3° | 180.0° |
| C12 | C10 | C13 | H132 | 84.7° | 59.9° |
| C12 | C10 | C13 | H133 | 35.3° | 60.0° |
| C13 | C10 | C11 | H111 | 69.8° | 175.0° |
| C13 | C10 | C11 | H112 | 50.2° | 65.0° |
| C13 | C10 | C11 | H113 | 170.2° | 55.0° |
| C13 | C10 | C12 | H121 | 32.2° | 60.0° |
| C13 | C10 | C12 | H122 | 152.2° | 60.0° |
| C13 | C10 | C12 | H123 | 87.8° | 180.0° |
| C10 | C13 | H131 | H132 | 120.0° | 120.0° |
| C10 | C13 | H131 | H133 | 120.0° | 120.0° |
| C10 | C13 | H132 | H133 | 120.0° | 119.9° |
| H111 | C11 | H112 | H113 | 120.0° | 119.9° |
| H121 | C12 | H122 | H123 | 120.0° | 120.0° |
| H131 | C13 | H132 | H133 | 119.9° | 120.0° |
| O15 | C14 | N16 | C17 | 179.7° | 177.4° |
| O15 | C14 | N16 | C18 | 0.8° | 4.1° |
| C14 | N16 | C17 | C18 | 179.0° | 178.8° |
| C14 | N16 | C17 | C20 | 177.1° | 140.4° |
| C14 | N16 | C17 | H171 | 62.9° | 100.4° |
| C14 | N16 | C17 | H172 | 54.6° | 22.3° |
| C14 | N16 | C18 | C19 | 171.5° | 140.9° |
| C14 | N16 | C18 | C24 | 57.5° | 100.3° |
| C14 | N16 | C18 | H18 | 55.6° | 22.0° |
| N16 | C17 | C20 | H171 | 120.0° | 120.1° |
| N16 | C17 | C20 | H172 | 122.5° | 117.4° |
| N16 | C17 | H171 | H172 | 122.8° | 122.1° |
| C17 | N16 | C18 | C19 | 9.5° | 40.3° |
| C17 | N16 | C18 | C24 | 121.5° | 78.5° |
| C17 | N16 | C18 | H18 | 125.3° | 159.1° |
| N16 | C17 | C20 | C19 | 13.0° | 25.2° |
| N16 | C17 | C20 | C21 | 79.5° | 37.1° |
| N16 | C17 | C20 | H20 | 134.2° | 164.3° |
| C18 | N16 | C17 | C20 | 1.9° | 40.8° |
| C18 | N16 | C17 | H171 | 118.1° | 78.4° |
| C18 | N16 | C17 | H172 | 124.4° | 158.8° |
| N16 | C18 | C19 | C24 | 127.3° | 118.8° |
| N16 | C18 | C19 | H18 | 120.6° | 118.9° |
| N16 | C18 | C24 | H18 | 120.1° | 122.3° |
| N16 | C18 | C19 | C20 | 16.4° | 23.9° |
| N16 | C18 | C19 | C21 | 46.9° | 41.4° |
| N16 | C18 | C19 | H19 | 168.3° | 163.0° |
| N16 | C18 | C24 | O25 | 61.6° | 17.0° |
| N16 | C18 | C24 | N26 | 117.4° | 163.0° |
| C20 | C17 | H171 | H172 | 122.8° | 122.4° |
| C17 | C20 | C19 | C18 | 18.5° | 1.0° |
| C17 | C20 | C19 | C21 | 107.2° | 115.1° |
| C17 | C20 | C19 | H20 | 128.9° | 136.9° |
| C17 | C20 | C19 | H19 | 141.6° | 136.0° |
| C17 | C20 | C21 | H20 | 130.5° | 158.1° |
| C17 | C20 | C21 | C22 | 149.2° | 161.8° |
| C17 | C20 | C21 | C23 | 5.4° | 17.1° |
| H171 | C17 | C20 | C19 | 107.0° | 94.9° |
| H171 | C17 | C20 | C21 | 40.5° | 157.2° |
| H171 | C17 | C20 | H20 | 105.8° | 44.2° |
| H172 | C17 | C20 | C19 | 135.5° | 142.7° |
| H172 | C17 | C20 | C21 | 158.0° | 80.3° |
| H172 | C17 | C20 | H20 | 11.7° | 78.3° |
| C19 | C18 | C24 | H18 | 114.3° | 122.4° |
| C18 | C19 | C20 | C21 | 125.7° | 114.2° |
| C18 | C19 | C20 | H19 | 123.2° | 136.9° |
| C18 | C19 | C21 | H19 | 135.4° | 155.1° |
| C18 | C19 | C20 | H20 | 110.4° | 137.9° |
| C18 | C19 | C21 | C22 | 171.4° | 160.4° |
| C18 | C19 | C21 | C23 | 25.2° | 14.7° |
| C19 | C18 | C24 | O25 | 64.0° | 98.3° |
| C19 | C18 | C24 | N26 | 117.0° | 81.6° |
| C24 | C18 | C19 | C20 | 110.9° | 94.9° |
| C24 | C18 | C19 | C21 | 174.2° | 160.2° |
| C24 | C18 | C19 | H19 | 41.0° | 44.2° |
| C18 | C24 | O25 | N26 | 178.9° | 180.0° |
| C18 | C24 | N26 | C27 | 179.9° | 174.9° |
| C18 | C24 | N26 | HN26 | 0.1° | 5.0° |
| H18 | C18 | C19 | C20 | 137.0° | 142.8° |
| H18 | C18 | C19 | C21 | 73.7° | 77.4° |
| H18 | C18 | C19 | H19 | 71.1° | 78.1° |
| H18 | C18 | C24 | O25 | 178.3° | 139.3° |
| H18 | C18 | C24 | N26 | 2.7° | 40.7° |
| C20 | C19 | C21 | H19 | 140.3° | 112.5° |
| C19 | C20 | C21 | H20 | 127.6° | 111.3° |
| C20 | C19 | C21 | C22 | 104.3° | 107.2° |
| C20 | C19 | C21 | C23 | 109.5° | 107.2° |
| C19 | C21 | C22 | C23 | 147.7° | 146.4° |
| C19 | C21 | C22 | H221 | 121.4° | 59.6° |
| C19 | C21 | C22 | H222 | 1.4° | 60.4° |
| C19 | C21 | C22 | H223 | 118.6° | 179.6° |
| C19 | C21 | C23 | H231 | 113.8° | 179.7° |
| C19 | C21 | C23 | H232 | 6.2° | 60.3° |
| C19 | C21 | C23 | H233 | 126.2° | 59.6° |
| H19 | C19 | C20 | H20 | 12.7° | 0.9° |
| H19 | C19 | C21 | C22 | 36.0° | 5.3° |
| H19 | C19 | C21 | C23 | 110.2° | 140.4° |
| C20 | C21 | C22 | C23 | 145.9° | 145.3° |
| C20 | C21 | C22 | H221 | 55.0° | 8.6° |
| C20 | C21 | C22 | H222 | 65.0° | 128.6° |
| C20 | C21 | C22 | H223 | 175.0° | 111.4° |
| C20 | C21 | C23 | H231 | 178.1° | 111.4° |
| C20 | C21 | C23 | H232 | 61.9° | 128.6° |
| C20 | C21 | C23 | H233 | 58.1° | 8.6° |
| H20 | C20 | C21 | C22 | 18.7° | 3.7° |
| H20 | C20 | C21 | C23 | 125.1° | 141.0° |
| C21 | C22 | H221 | H222 | 120.0° | 120.0° |
| C21 | C22 | H221 | H223 | 120.0° | 120.0° |
| C21 | C22 | H222 | H223 | 120.0° | 119.9° |
| C22 | C21 | C23 | H231 | 33.8° | 34.0° |
| C22 | C21 | C23 | H232 | 153.7° | 86.0° |
| C22 | C21 | C23 | H233 | 86.2° | 154.0° |
| C23 | C21 | C22 | H221 | 90.9° | 154.0° |
| C23 | C21 | C22 | H222 | 149.1° | 86.0° |
| C23 | C21 | C22 | H223 | 29.1° | 33.9° |
| C21 | C23 | H231 | H232 | 120.0° | 120.0° |
| C21 | C23 | H231 | H233 | 120.0° | 120.0° |
| C21 | C23 | H232 | H233 | 120.0° | 120.0° |
| H221 | C22 | H222 | H223 | 120.0° | 120.1° |
| H231 | C23 | H232 | H233 | 120.0° | 120.0° |
| O25 | C24 | N26 | C27 | 1.0° | 5.1° |
| O25 | C24 | N26 | HN26 | 179.1° | 174.9° |
| C24 | N26 | C27 | HN26 | 180.0° | 179.9° |
| C24 | N26 | C27 | C28 | 129.5° | 156.5° |
| C24 | N26 | C27 | C33 | 108.7° | 83.6° |
| C24 | N26 | C27 | H27 | 11.3° | 36.4° |
| N26 | C27 | C28 | C33 | 119.7° | 119.9° |
| N26 | C27 | C28 | H27 | 120.4° | 120.1° |
| N26 | C27 | C33 | H27 | 120.4° | 120.0° |
| N26 | C27 | C28 | C29 | 55.5° | 65.5° |
| N26 | C27 | C28 | H281 | 64.5° | 54.5° |
| N26 | C27 | C28 | H282 | 174.7° | 174.5° |
| N26 | C27 | C33 | O32 | 52.9° | 15.0° |
| N26 | C27 | C33 | C39 | 163.3° | 165.0° |
| HN26 | N26 | C27 | C28 | 50.5° | 23.5° |
| HN26 | N26 | C27 | C33 | 71.3° | 96.5° |
| HN26 | N26 | C27 | H27 | 168.7° | 143.5° |
| C28 | C27 | C33 | H27 | 118.2° | 120.0° |
| C27 | C28 | C29 | H281 | 120.0° | 120.0° |
| C27 | C28 | C29 | H282 | 119.2° | 120.0° |
| C27 | C28 | H281 | H282 | 119.2° | 120.0° |
| C27 | C28 | C29 | C30 | 89.9° | 175.2° |
| C27 | C28 | C29 | C31 | 163.4° | 116.2° |
| C27 | C28 | C29 | H29 | 52.8° | 29.5° |
| C28 | C27 | C33 | O32 | 174.3° | 105.0° |
| C28 | C27 | C33 | C39 | 75.3° | 75.1° |
| C33 | C27 | C28 | C29 | 175.2° | 174.5° |
| C33 | C27 | C28 | H281 | 55.2° | 65.4° |
| C33 | C27 | C28 | H282 | 65.6° | 54.6° |
| C27 | C33 | O32 | C39 | 104.7° | 179.9° |
| C27 | C33 | C39 | O34 | 82.1° | 0.1° |
| C27 | C33 | C39 | N35 | 97.5° | 180.0° |
| H27 | C27 | C28 | C29 | 64.9° | 54.5° |
| H27 | C27 | C28 | H281 | 175.2° | 174.6° |
| H27 | C27 | C28 | H282 | 54.4° | 65.4° |
| H27 | C27 | C33 | O32 | 67.5° | 135.0° |
| H27 | C27 | C33 | C39 | 42.9° | 44.9° |
| C29 | C28 | H281 | H282 | 119.3° | 120.0° |
| C28 | C29 | C30 | C31 | 110.6° | 107.5° |
| C28 | C29 | C30 | H29 | 122.6° | 145.0° |
| C28 | C29 | C31 | H29 | 121.8° | 145.1° |
| C28 | C29 | C30 | H301 | 9.4° | 145.0° |
| C28 | C29 | C30 | H302 | 122.7° | 0.0° |
| C28 | C29 | C31 | H311 | 125.8° | 0.0° |
| C28 | C29 | C31 | H312 | 12.5° | 145.0° |
| H281 | C28 | C29 | C30 | 150.1° | 55.1° |
| H281 | C28 | C29 | C31 | 76.6° | 123.7° |
| H281 | C28 | C29 | H29 | 67.2° | 90.5° |
| H282 | C28 | C29 | C30 | 29.3° | 64.9° |
| H282 | C28 | C29 | C31 | 44.3° | 3.7° |
| H282 | C28 | C29 | H29 | 172.0° | 149.5° |
| C30 | C29 | C31 | H29 | 124.0° | 107.4° |
| C29 | C30 | C31 | H301 | 120.0° | 107.5° |
| C29 | C30 | C31 | H302 | 126.7° | 107.5° |
| C29 | C30 | H301 | H302 | 138.7° | 145.7° |
| C30 | C29 | C31 | H311 | 120.0° | 107.5° |
| C30 | C29 | C31 | H312 | 126.7° | 107.5° |
| C29 | C31 | H311 | H312 | 138.5° | 145.6° |
| H29 | C29 | C30 | H301 | 113.3° | 0.0° |
| H29 | C29 | C30 | H302 | 0.1° | 145.0° |
| H29 | C29 | C31 | H311 | 4.0° | 145.0° |
| H29 | C29 | C31 | H312 | 109.3° | 0.1° |
| C31 | C30 | H301 | H302 | 138.6° | 145.7° |
| C30 | C31 | H311 | H312 | 138.5° | 145.8° |
| H301 | C30 | C31 | H311 | 120.0° | 145.1° |
| H301 | C30 | C31 | H312 | 6.8° | 0.0° |
| H302 | C30 | C31 | H311 | 6.7° | 0.1° |
| H302 | C30 | C31 | H312 | 106.6° | 145.0° |
| O32 | C33 | C39 | O34 | 165.6° | 180.0° |
| O32 | C33 | C39 | N35 | 14.7° | 0.0° |
| C33 | C39 | O34 | N35 | 179.6° | 179.9° |
| C33 | C39 | N35 | C36 | 154.9° | 180.0° |
| C33 | C39 | N35 | HN35 | 25.1° | 0.0° |
| O34 | C39 | N35 | C36 | 25.5° | 0.0° |
| O34 | C39 | N35 | HN35 | 154.5° | 180.0° |
| C36 | N35 | C39 | HN35 | 180.0° | 180.0° |
| N35 | C36 | C37 | H361 | 120.0° | 120.0° |
| N35 | C36 | C37 | H362 | 118.7° | 120.0° |
| N35 | C36 | H361 | H362 | 118.7° | 120.0° |
| N35 | C36 | C37 | O38 | 18.6° | 0.0° |
| N35 | C36 | C37 | N40 | 162.2° | 180.0° |
| C39 | N35 | C36 | C37 | 98.2° | 180.0° |
| C39 | N35 | C36 | H361 | 21.8° | 60.0° |
| C39 | N35 | C36 | H362 | 143.1° | 60.0° |
| HN35 | N35 | C36 | C37 | 81.8° | 0.0° |
| HN35 | N35 | C36 | H361 | 158.1° | 120.0° |
| HN35 | N35 | C36 | H362 | 36.9° | 120.0° |
| C37 | C36 | H361 | H362 | 118.8° | 120.0° |
| C36 | C37 | O38 | N40 | 179.2° | 180.0° |
| C36 | C37 | N40 | C41 | 179.6° | 180.0° |
| C36 | C37 | N40 | HN40 | 0.4° | 0.0° |
| H361 | C36 | C37 | O38 | 101.4° | 120.0° |
| H361 | C36 | C37 | N40 | 77.8° | 60.0° |
| H362 | C36 | C37 | O38 | 137.3° | 120.0° |
| H362 | C36 | C37 | N40 | 43.4° | 60.0° |
| O38 | C37 | N40 | C41 | 1.2° | 0.0° |
| O38 | C37 | N40 | HN40 | 178.9° | 180.0° |
| C37 | N40 | C41 | HN40 | 180.0° | 180.0° |
| C37 | N40 | C41 | C42 | 73.4° | 155.0° |
| C37 | N40 | C41 | C48 | 162.5° | 85.0° |
| C37 | N40 | C41 | H41 | 43.8° | 34.9° |
| N40 | C41 | C42 | C48 | 124.3° | 120.0° |
| N40 | C41 | C42 | H41 | 116.9° | 120.0° |
| N40 | C41 | C48 | H41 | 117.1° | 119.9° |
| N40 | C41 | C42 | C43 | 46.4° | 46.8° |
| N40 | C41 | C42 | C44 | 134.1° | 133.0° |
| N40 | C41 | C48 | O49 | 50.7° | 24.8° |
| N40 | C41 | C48 | N50 | 130.0° | 155.2° |
| HN40 | N40 | C41 | C42 | 106.6° | 25.0° |
| HN40 | N40 | C41 | C48 | 17.5° | 95.0° |
| HN40 | N40 | C41 | H41 | 136.2° | 145.0° |
| C42 | C41 | C48 | H41 | 117.4° | 120.1° |
| C41 | C42 | C43 | C44 | 179.5° | 179.8° |
| C41 | C42 | C43 | C45 | 178.1° | 179.8° |
| C41 | C42 | C43 | H43 | 1.9° | 0.2° |
| C41 | C42 | C44 | C46 | 178.1° | 180.0° |
| C41 | C42 | C44 | H44 | 1.9° | 0.0° |
| C42 | C41 | C48 | O49 | 74.8° | 95.2° |
| C42 | C41 | C48 | N50 | 104.4° | 84.8° |
| C48 | C41 | C42 | C43 | 77.9° | 73.2° |
| C48 | C41 | C42 | C44 | 101.6° | 107.0° |
| C41 | C48 | O49 | N50 | 179.2° | 179.9° |
| C41 | C48 | N50 | C51 | 171.8° | 177.1° |
| C41 | C48 | N50 | C52 | 8.4° | 2.9° |
| H41 | C41 | C42 | C43 | 163.3° | 166.7° |
| H41 | C41 | C42 | C44 | 17.2° | 13.0° |
| H41 | C41 | C48 | O49 | 167.8° | 144.7° |
| H41 | C41 | C48 | N50 | 12.9° | 35.3° |
| C42 | C43 | C45 | H43 | 180.0° | 179.6° |
| C43 | C42 | C44 | C46 | 1.4° | 0.3° |
| C43 | C42 | C44 | H44 | 178.6° | 179.8° |
| C42 | C43 | C45 | C47 | 1.2° | 0.4° |
| C42 | C43 | C45 | H45 | 178.9° | 179.7° |
| C44 | C42 | C43 | C45 | 1.4° | 0.5° |
| C44 | C42 | C43 | H43 | 178.6° | 180.0° |
| C42 | C44 | C46 | H44 | 180.0° | 180.0° |
| C42 | C44 | C46 | C47 | 1.2° | 0.0° |
| C42 | C44 | C46 | H46 | 178.8° | 180.0° |
| C43 | C45 | C47 | H45 | 180.0° | 179.9° |
| C43 | C45 | C47 | C46 | 0.9° | 0.1° |
| C43 | C45 | C47 | H47 | 179.0° | 179.8° |
| H43 | C43 | C45 | C47 | 178.8° | 180.0° |
| H43 | C43 | C45 | H45 | 1.1° | 0.1° |
| C44 | C46 | C47 | C45 | 1.0° | 0.1° |
| C44 | C46 | C47 | H46 | 180.0° | 179.9° |
| C44 | C46 | C47 | H47 | 179.0° | 180.0° |
| H44 | C44 | C46 | C47 | 178.8° | 179.9° |
| H44 | C44 | C46 | H46 | 1.2° | 0.0° |
| C45 | C47 | C46 | H47 | 180.0° | 179.9° |
| C45 | C47 | C46 | H46 | 179.1° | 180.0° |
| H45 | C45 | C47 | C46 | 179.1° | 180.0° |
| H45 | C45 | C47 | H47 | 0.9° | 0.1° |
| H46 | C46 | C47 | H47 | 1.0° | 0.1° |
| O49 | C48 | N50 | C51 | 7.4° | 2.9° |
| O49 | C48 | N50 | C52 | 172.4° | 177.2° |
| C48 | N50 | C51 | C52 | 179.8° | 179.9° |
| C48 | N50 | C51 | H511 | 132.0° | 180.0° |
| C48 | N50 | C51 | H512 | 12.0° | 59.9° |
| C48 | N50 | C51 | H513 | 108.1° | 60.0° |
| C48 | N50 | C52 | H521 | 89.1° | 5.3° |
| C48 | N50 | C52 | H522 | 151.0° | 125.3° |
| C48 | N50 | C52 | H523 | 30.9° | 114.8° |
| N50 | C51 | H511 | H512 | 120.0° | 120.0° |
| N50 | C51 | H511 | H513 | 120.0° | 120.0° |
| N50 | C51 | H512 | H513 | 120.0° | 120.0° |
| C51 | N50 | C52 | H521 | 91.2° | 174.7° |
| C51 | N50 | C52 | H522 | 28.8° | 54.7° |
| C51 | N50 | C52 | H523 | 148.8° | 65.3° |
| C52 | N50 | C51 | H511 | 48.3° | 0.0° |
| C52 | N50 | C51 | H512 | 168.2° | 120.0° |
| C52 | N50 | C51 | H513 | 71.7° | 120.1° |
| N50 | C52 | H521 | H522 | 120.0° | 120.0° |
| N50 | C52 | H521 | H523 | 120.0° | 120.0° |
| N50 | C52 | H522 | H523 | 120.0° | 120.0° |
| H511 | C51 | H512 | H513 | 119.9° | 120.0° |
| H521 | C52 | H522 | H523 | 120.0° | 120.0° |
