B0F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C44 | C45 | doub | 1.38Å | 1.46Å | Aromatic |
| C44 | C43 | sing | 1.38Å | 1.47Å | Aromatic |
| C30 | C29 | doub | 1.38Å | 1.40Å | Aromatic |
| C30 | C31 | sing | 1.38Å | 1.40Å | Aromatic |
| O08 | C06 | doub | 1.22Å | 1.21Å | |
| C45 | C46 | sing | 1.38Å | 1.46Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.41Å | Aromatic |
| C43 | C42 | doub | 1.38Å | 1.52Å | Aromatic |
| C31 | C32 | doub | 1.38Å | 1.42Å | Aromatic |
| C06 | N05 | sing | 1.34Å | 1.50Å | |
| C06 | N07 | sing | 1.34Å | 1.50Å | |
| C28 | C27 | doub | 1.38Å | 1.42Å | Aromatic |
| C46 | C41 | doub | 1.38Å | 1.51Å | Aromatic |
| N05 | C04 | sing | 1.47Å | 1.35Å | |
| C42 | C41 | sing | 1.38Å | 1.37Å | Aromatic |
| C42 | C47 | sing | 1.51Å | 1.48Å | |
| C32 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C26 | sing | 1.51Å | 1.56Å | |
| C41 | C40 | sing | 1.51Å | 1.46Å | |
| C47 | C48 | sing | 1.54Å | 1.53Å | |
| N07 | C03 | sing | 1.47Å | 1.35Å | |
| C04 | C09 | sing | 1.54Å | 1.59Å | |
| C04 | C03 | sing | 1.54Å | 1.56Å | |
| C26 | C25 | sing | 1.53Å | 1.52Å | |
| C09 | S01 | sing | 1.84Å | 1.66Å | |
| C40 | C48 | sing | 1.54Å | 1.52Å | |
| C40 | N39 | sing | 1.46Å | 1.39Å | |
| C03 | C02 | sing | 1.54Å | 1.54Å | |
| C10 | C02 | sing | 1.53Å | 1.59Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C48 | O49 | sing | 1.43Å | 1.40Å | |
| C59 | C58 | sing | 1.51Å | 1.52Å | |
| S01 | C02 | sing | 1.84Å | 1.64Å | |
| O61 | C14 | doub | 1.21Å | 1.21Å | |
| O50 | C38 | doub | 1.21Å | 1.21Å | |
| C12 | C11 | sing | 1.53Å | 1.54Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C25 | N24 | sing | 1.46Å | 1.44Å | |
| C25 | C33 | sing | 1.53Å | 1.51Å | |
| N39 | C38 | sing | 1.35Å | 1.44Å | |
| N24 | C23 | sing | 1.35Å | 1.42Å | |
| O35 | C34 | doub | 1.21Å | 1.22Å | |
| C38 | C37 | sing | 1.51Å | 1.41Å | |
| C58 | C60 | doub | 1.38Å | 1.42Å | Aromatic |
| C58 | C20 | sing | 1.39Å | 1.40Å | Aromatic |
| C60 | C16 | sing | 1.39Å | 1.41Å | Aromatic |
| O57 | C23 | doub | 1.21Å | 1.22Å | |
| C23 | C22 | sing | 1.51Å | 1.52Å | |
| C14 | C13 | sing | 1.51Å | 1.56Å | |
| C14 | N15 | sing | 1.35Å | 1.44Å | |
| C34 | C33 | sing | 1.51Å | 1.54Å | |
| C34 | N36 | sing | 1.35Å | 1.43Å | |
| C33 | O56 | sing | 1.43Å | 1.39Å | |
| C22 | O21 | sing | 1.43Å | 1.43Å | |
| O21 | C20 | sing | 1.36Å | 1.42Å | |
| C20 | C18 | doub | 1.39Å | 1.41Å | Aromatic |
| C37 | N36 | sing | 1.46Å | 1.55Å | |
| C37 | C51 | sing | 1.55Å | 1.53Å | |
| N36 | C55 | sing | 1.48Å | 1.48Å | |
| C16 | N15 | sing | 1.40Å | 1.46Å | |
| C16 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C55 | S54 | sing | 1.84Å | 1.63Å | |
| C53 | C51 | sing | 1.53Å | 1.52Å | |
| C18 | C17 | sing | 1.38Å | 1.41Å | Aromatic |
| C18 | C19 | sing | 1.51Å | 1.52Å | |
| C51 | S54 | sing | 1.84Å | 1.70Å | |
| C51 | C52 | sing | 1.53Å | 1.58Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C02 | H9 | sing | 1.09Å | 1.10Å | |
| C09 | H10 | sing | 1.09Å | 1.10Å | |
| C04 | H11 | sing | 1.09Å | 1.10Å | |
| N05 | H12 | sing | 0.97Å | 1.00Å | |
| N07 | H13 | sing | 0.97Å | 1.00Å | |
| C03 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.08Å | 1.08Å | |
| N15 | H19 | sing | 0.97Å | 1.00Å | |
| C60 | H20 | sing | 1.08Å | 1.08Å | |
| C59 | H21 | sing | 1.09Å | 1.10Å | |
| C59 | H22 | sing | 1.09Å | 1.10Å | |
| C59 | H23 | sing | 1.09Å | 1.10Å | |
| C22 | H24 | sing | 1.09Å | 1.10Å | |
| C22 | H25 | sing | 1.09Å | 1.10Å | |
| N24 | H26 | sing | 0.97Å | 1.00Å | |
| C33 | H27 | sing | 1.09Å | 1.10Å | |
| C26 | H28 | sing | 1.09Å | 1.10Å | |
| C26 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| O56 | H32 | sing | 0.97Å | 0.95Å | |
| C28 | H33 | sing | 1.08Å | 1.08Å | |
| C32 | H34 | sing | 1.08Å | 1.08Å | |
| C29 | H35 | sing | 1.08Å | 1.08Å | |
| C31 | H36 | sing | 1.08Å | 1.08Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C55 | H38 | sing | 1.09Å | 1.10Å | |
| C55 | H39 | sing | 1.09Å | 1.10Å | |
| C52 | H40 | sing | 1.09Å | 1.10Å | |
| C52 | H41 | sing | 1.09Å | 1.10Å | |
| C52 | H42 | sing | 1.09Å | 1.10Å | |
| C53 | H43 | sing | 1.09Å | 1.10Å | |
| C53 | H44 | sing | 1.09Å | 1.10Å | |
| C53 | H45 | sing | 1.09Å | 1.10Å | |
| N39 | H46 | sing | 0.97Å | 1.00Å | |
| O49 | H47 | sing | 0.97Å | 0.95Å | |
| C40 | H48 | sing | 1.09Å | 1.10Å | |
| C46 | H49 | sing | 1.08Å | 1.08Å | |
| C45 | H50 | sing | 1.08Å | 1.08Å | |
| C48 | H51 | sing | 1.09Å | 1.10Å | |
| C43 | H52 | sing | 1.08Å | 1.08Å | |
| C44 | H53 | sing | 1.08Å | 1.08Å | |
| C47 | H54 | sing | 1.09Å | 1.10Å | |
| C47 | H55 | sing | 1.09Å | 1.10Å | |
| C09 | H56 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C45 | C44 | C43 | 121.2° | 120.0° |
| C44 | C45 | C46 | 120.1° | 119.9° |
| C44 | C45 | H50 | 119.9° | 120.0° |
| C45 | C44 | H53 | 119.4° | 120.0° |
| C44 | C43 | C42 | 117.4° | 120.2° |
| C44 | C43 | H52 | 121.3° | 119.9° |
| C43 | C44 | H53 | 119.4° | 120.0° |
| C29 | C30 | C31 | 120.4° | 120.0° |
| C30 | C29 | C28 | 120.7° | 120.0° |
| C29 | C30 | H30 | 119.8° | 120.0° |
| C30 | C29 | H35 | 119.7° | 120.0° |
| C30 | C31 | C32 | 118.9° | 120.0° |
| C31 | C30 | H30 | 119.8° | 120.0° |
| C30 | C31 | H36 | 120.5° | 120.0° |
| O08 | C06 | N05 | 126.2° | 123.0° |
| O08 | C06 | N07 | 126.2° | 123.1° |
| C45 | C46 | C41 | 117.6° | 120.3° |
| C45 | C46 | H49 | 121.2° | 119.9° |
| C46 | C45 | H50 | 119.9° | 120.1° |
| C29 | C28 | C27 | 119.3° | 120.0° |
| C29 | C28 | H33 | 120.3° | 120.0° |
| C28 | C29 | H35 | 119.6° | 120.0° |
| C43 | C42 | C41 | 120.6° | 119.8° |
| C43 | C42 | C47 | 126.1° | 130.4° |
| C42 | C43 | H52 | 121.3° | 119.9° |
| C31 | C32 | C27 | 120.8° | 120.0° |
| C31 | C32 | H34 | 119.6° | 120.1° |
| C32 | C31 | H36 | 120.5° | 120.0° |
| N05 | C06 | N07 | 107.6° | 113.9° |
| C06 | N05 | C04 | 107.6° | 109.1° |
| C06 | N05 | H12 | 126.2° | 125.5° |
| C06 | N07 | C03 | 107.6° | 109.2° |
| C06 | N07 | H13 | 126.2° | 125.5° |
| C28 | C27 | C32 | 119.9° | 120.0° |
| C28 | C27 | C26 | 120.8° | 120.0° |
| C27 | C28 | H33 | 120.4° | 120.0° |
| C46 | C41 | C42 | 122.5° | 119.8° |
| C46 | C41 | C40 | 127.0° | 130.4° |
| C41 | C46 | H49 | 121.2° | 119.8° |
| N05 | C04 | C09 | 109.8° | 109.3° |
| N05 | C04 | C03 | 108.6° | 104.1° |
| N05 | C04 | H11 | 111.7° | 110.6° |
| C04 | N05 | H12 | 126.2° | 125.5° |
| C41 | C42 | C47 | 113.1° | 109.8° |
| C42 | C41 | C40 | 109.6° | 109.7° |
| C42 | C47 | C48 | 98.7° | 105.1° |
| C42 | C47 | H54 | 112.1° | 110.3° |
| C42 | C47 | H55 | 112.1° | 110.3° |
| C32 | C27 | C26 | 119.4° | 120.0° |
| C27 | C32 | H34 | 119.6° | 120.0° |
| C27 | C26 | C25 | 108.8° | 109.4° |
| C27 | C26 | H28 | 109.6° | 109.5° |
| C27 | C26 | H29 | 109.6° | 109.5° |
| C41 | C40 | C48 | 100.7° | 105.2° |
| C41 | C40 | N39 | 117.0° | 110.3° |
| C41 | C40 | H48 | 110.1° | 110.4° |
| C47 | C48 | C40 | 106.6° | 102.4° |
| C47 | C48 | O49 | 110.9° | 110.8° |
| C47 | C48 | H51 | 108.8° | 111.0° |
| C48 | C47 | H54 | 112.1° | 110.3° |
| C48 | C47 | H55 | 112.1° | 110.3° |
| N07 | C03 | C04 | 108.6° | 103.7° |
| N07 | C03 | C02 | 109.9° | 109.1° |
| C03 | N07 | H13 | 126.2° | 125.3° |
| N07 | C03 | H14 | 111.3° | 110.4° |
| C09 | C04 | C03 | 109.9° | 112.4° |
| C04 | C09 | S01 | 106.2° | 102.7° |
| C04 | C09 | H10 | 110.3° | 110.7° |
| C09 | C04 | H11 | 108.2° | 110.3° |
| C04 | C09 | H56 | 110.3° | 110.9° |
| C04 | C03 | C02 | 109.9° | 112.2° |
| C03 | C04 | H11 | 108.6° | 110.1° |
| C04 | C03 | H14 | 108.4° | 110.3° |
| C26 | C25 | N24 | 110.4° | 109.5° |
| C26 | C25 | C33 | 110.9° | 109.5° |
| C25 | C26 | H28 | 109.6° | 109.5° |
| C25 | C26 | H29 | 109.6° | 109.5° |
| C26 | C25 | H31 | 108.9° | 109.5° |
| C09 | S01 | C02 | 105.0° | 94.8° |
| S01 | C09 | H10 | 110.3° | 110.8° |
| S01 | C09 | H56 | 110.3° | 110.8° |
| C48 | C40 | N39 | 108.1° | 110.3° |
| C40 | C48 | O49 | 110.8° | 110.8° |
| C48 | C40 | H48 | 109.2° | 110.3° |
| C40 | C48 | H51 | 108.9° | 110.8° |
| C40 | N39 | C38 | 123.9° | 120.0° |
| C40 | N39 | H46 | 118.1° | 120.0° |
| N39 | C40 | H48 | 111.1° | 110.3° |
| C03 | C02 | C10 | 109.8° | 110.8° |
| C03 | C02 | S01 | 109.0° | 102.9° |
| C03 | C02 | H9 | 110.1° | 110.8° |
| C02 | C03 | H14 | 108.7° | 110.8° |
| C02 | C10 | C11 | 110.0° | 109.5° |
| C10 | C02 | S01 | 109.7° | 110.8° |
| C02 | C10 | H7 | 109.3° | 109.5° |
| C02 | C10 | H8 | 109.3° | 109.5° |
| C10 | C02 | H9 | 109.4° | 110.6° |
| C10 | C11 | C12 | 109.5° | 109.5° |
| C10 | C11 | H5 | 109.5° | 109.5° |
| C10 | C11 | H6 | 109.5° | 109.4° |
| C11 | C10 | H7 | 109.3° | 109.5° |
| C11 | C10 | H8 | 109.3° | 109.4° |
| C48 | O49 | H47 | 109.5° | 114.0° |
| O49 | C48 | H51 | 110.6° | 110.8° |
| C59 | C58 | C60 | 120.3° | 120.0° |
| C59 | C58 | C20 | 120.5° | 120.0° |
| C58 | C59 | H21 | 109.5° | 109.5° |
| C58 | C59 | H22 | 109.5° | 109.5° |
| C58 | C59 | H23 | 109.5° | 109.5° |
| S01 | C02 | H9 | 108.8° | 110.7° |
| O61 | C14 | C13 | 120.3° | 120.0° |
| O61 | C14 | N15 | 121.4° | 120.0° |
| O50 | C38 | N39 | 121.1° | 120.1° |
| O50 | C38 | C37 | 127.0° | 119.9° |
| C11 | C12 | C13 | 110.3° | 109.5° |
| C11 | C12 | H3 | 109.2° | 109.5° |
| C11 | C12 | H4 | 109.3° | 109.4° |
| C12 | C11 | H5 | 109.5° | 109.5° |
| C12 | C11 | H6 | 109.4° | 109.5° |
| C12 | C13 | C14 | 109.7° | 109.5° |
| C12 | C13 | H1 | 109.4° | 109.4° |
| C12 | C13 | H2 | 109.5° | 109.5° |
| C13 | C12 | H3 | 109.3° | 109.5° |
| C13 | C12 | H4 | 109.2° | 109.5° |
| N24 | C25 | C33 | 107.6° | 109.5° |
| C25 | N24 | C23 | 119.3° | 120.0° |
| C25 | N24 | H26 | 120.4° | 120.0° |
| N24 | C25 | H31 | 110.0° | 109.5° |
| C25 | C33 | C34 | 109.4° | 109.4° |
| C25 | C33 | O56 | 112.3° | 109.4° |
| C25 | C33 | H27 | 108.8° | 109.4° |
| C33 | C25 | H31 | 109.0° | 109.5° |
| N39 | C38 | C37 | 111.9° | 120.0° |
| C38 | N39 | H46 | 118.0° | 120.0° |
| N24 | C23 | O57 | 123.1° | 119.9° |
| N24 | C23 | C22 | 116.5° | 120.1° |
| C23 | N24 | H26 | 120.3° | 119.9° |
| O35 | C34 | C33 | 124.2° | 120.0° |
| O35 | C34 | N36 | 119.6° | 120.0° |
| C38 | C37 | N36 | 111.8° | 108.8° |
| C38 | C37 | C51 | 117.5° | 108.7° |
| C38 | C37 | H37 | 109.9° | 108.7° |
| C60 | C58 | C20 | 119.1° | 120.1° |
| C58 | C60 | C16 | 118.3° | 119.9° |
| C58 | C60 | H20 | 120.8° | 120.0° |
| C58 | C20 | O21 | 117.9° | 120.0° |
| C58 | C20 | C18 | 122.0° | 120.0° |
| C60 | C16 | N15 | 119.6° | 120.0° |
| C60 | C16 | C17 | 122.0° | 120.0° |
| C16 | C60 | H20 | 120.8° | 120.0° |
| O57 | C23 | C22 | 120.4° | 120.0° |
| C23 | C22 | O21 | 107.6° | 109.5° |
| C23 | C22 | H24 | 109.9° | 109.5° |
| C23 | C22 | H25 | 109.9° | 109.5° |
| C13 | C14 | N15 | 118.3° | 120.0° |
| C14 | C13 | H1 | 109.4° | 109.5° |
| C14 | C13 | H2 | 109.4° | 109.5° |
| C14 | N15 | C16 | 122.5° | 120.0° |
| C14 | N15 | H19 | 118.7° | 120.0° |
| C33 | C34 | N36 | 116.2° | 120.0° |
| C34 | C33 | O56 | 107.5° | 109.5° |
| C34 | C33 | H27 | 108.4° | 109.5° |
| C34 | N36 | C37 | 117.9° | 122.4° |
| C34 | N36 | C55 | 130.5° | 122.4° |
| O56 | C33 | H27 | 110.5° | 109.5° |
| C33 | O56 | H32 | 109.5° | 114.0° |
| C22 | O21 | C20 | 110.0° | 117.0° |
| O21 | C22 | H24 | 109.9° | 109.5° |
| O21 | C22 | H25 | 109.9° | 109.5° |
| O21 | C20 | C18 | 120.1° | 120.0° |
| C20 | C18 | C17 | 118.7° | 120.0° |
| C20 | C18 | C19 | 121.5° | 120.0° |
| N36 | C37 | C51 | 100.7° | 113.2° |
| C37 | N36 | C55 | 111.5° | 115.2° |
| N36 | C37 | H37 | 108.0° | 108.8° |
| C37 | C51 | C53 | 108.6° | 111.1° |
| C37 | C51 | S54 | 108.7° | 101.3° |
| C37 | C51 | C52 | 106.1° | 111.1° |
| C51 | C37 | H37 | 108.3° | 108.6° |
| N36 | C55 | S54 | 110.0° | 102.7° |
| N36 | C55 | H38 | 109.3° | 110.8° |
| N36 | C55 | H39 | 109.3° | 110.8° |
| N15 | C16 | C17 | 117.4° | 120.0° |
| C16 | N15 | H19 | 118.7° | 120.0° |
| C16 | C17 | C18 | 119.7° | 120.0° |
| C16 | C17 | H18 | 120.1° | 120.0° |
| C55 | S54 | C51 | 92.9° | 94.0° |
| S54 | C55 | H38 | 109.3° | 110.8° |
| S54 | C55 | H39 | 109.3° | 110.6° |
| C53 | C51 | S54 | 112.7° | 111.1° |
| C53 | C51 | C52 | 108.7° | 111.0° |
| C51 | C53 | H43 | 109.5° | 109.4° |
| C51 | C53 | H44 | 109.5° | 109.4° |
| C51 | C53 | H45 | 109.5° | 109.4° |
| C17 | C18 | C19 | 119.8° | 120.0° |
| C18 | C17 | H18 | 120.1° | 120.0° |
| C18 | C19 | H15 | 109.5° | 109.5° |
| C18 | C19 | H16 | 109.4° | 109.5° |
| C18 | C19 | H17 | 109.5° | 109.5° |
| S54 | C51 | C52 | 111.9° | 111.1° |
| C51 | C52 | H40 | 109.5° | 109.4° |
| C51 | C52 | H41 | 109.5° | 109.5° |
| C51 | C52 | H42 | 109.5° | 109.5° |
| H1 | C13 | H2 | 109.5° | 109.4° |
| H3 | C12 | H4 | 109.5° | 109.5° |
| H5 | C11 | H6 | 109.5° | 109.5° |
| H7 | C10 | H8 | 109.5° | 109.5° |
| H10 | C09 | H56 | 109.5° | 110.6° |
| H15 | C19 | H16 | 109.5° | 109.5° |
| H15 | C19 | H17 | 109.4° | 109.5° |
| H16 | C19 | H17 | 109.5° | 109.4° |
| H21 | C59 | H22 | 109.5° | 109.4° |
| H21 | C59 | H23 | 109.4° | 109.4° |
| H22 | C59 | H23 | 109.5° | 109.5° |
| H24 | C22 | H25 | 109.5° | 109.4° |
| H28 | C26 | H29 | 109.5° | 109.5° |
| H38 | C55 | H39 | 109.5° | 110.9° |
| H40 | C52 | H41 | 109.5° | 109.5° |
| H40 | C52 | H42 | 109.5° | 109.5° |
| H41 | C52 | H42 | 109.4° | 109.5° |
| H43 | C53 | H44 | 109.5° | 109.5° |
| H43 | C53 | H45 | 109.4° | 109.5° |
| H44 | C53 | H45 | 109.5° | 109.5° |
| H54 | C47 | H55 | 109.4° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C45 | C44 | C43 | H53 | 180.0° | 180.0° |
| C44 | C45 | C46 | H50 | 180.0° | 179.9° |
| C45 | C44 | C43 | C42 | 0.7° | 0.1° |
| C44 | C45 | C46 | C41 | 3.6° | 0.1° |
| C44 | C45 | C46 | H49 | 176.4° | 180.0° |
| C45 | C44 | C43 | H52 | 179.3° | 179.9° |
| C43 | C44 | C45 | C46 | 0.1° | 0.0° |
| C44 | C43 | C42 | H52 | 180.0° | 179.9° |
| C44 | C43 | C42 | C41 | 5.3° | 0.1° |
| C44 | C43 | C42 | C47 | 178.7° | 180.0° |
| C43 | C44 | C45 | H50 | 179.9° | 180.0° |
| C29 | C30 | C31 | H30 | 180.0° | 179.6° |
| C30 | C29 | C28 | H35 | 180.0° | 179.7° |
| C29 | C30 | C31 | C32 | 1.1° | 0.4° |
| C30 | C29 | C28 | C27 | 0.2° | 0.0° |
| C30 | C29 | C28 | H33 | 179.8° | 180.0° |
| C29 | C30 | C31 | H36 | 178.9° | 180.0° |
| C31 | C30 | C29 | C28 | 0.8° | 0.3° |
| C30 | C31 | C32 | H36 | 180.0° | 179.6° |
| C30 | C31 | C32 | C27 | 0.3° | 0.1° |
| C30 | C31 | C32 | H34 | 179.7° | 179.9° |
| C31 | C30 | C29 | H35 | 179.2° | 180.0° |
| O08 | C06 | N05 | N07 | 180.0° | 180.0° |
| O08 | C06 | N05 | C04 | 180.0° | 180.0° |
| O08 | C06 | N07 | C03 | 180.0° | 179.9° |
| O08 | C06 | N05 | H12 | 0.0° | 0.0° |
| O08 | C06 | N07 | H13 | 0.0° | 0.0° |
| C45 | C46 | C41 | H49 | 180.0° | 179.9° |
| C45 | C46 | C41 | C42 | 8.5° | 0.1° |
| C45 | C46 | C41 | C40 | 176.1° | 180.0° |
| C46 | C45 | C44 | H53 | 179.9° | 180.0° |
| C29 | C28 | C27 | H33 | 180.0° | 180.0° |
| C29 | C28 | C27 | C32 | 1.0° | 0.3° |
| C29 | C28 | C27 | C26 | 178.1° | 180.0° |
| C28 | C29 | C30 | H30 | 179.2° | 180.0° |
| C43 | C42 | C41 | C46 | 9.4° | 0.0° |
| C43 | C42 | C41 | C47 | 174.1° | 180.0° |
| C43 | C42 | C41 | C40 | 178.8° | 179.9° |
| C43 | C42 | C47 | C48 | 159.6° | 162.9° |
| C42 | C43 | C44 | H53 | 179.3° | 179.9° |
| C43 | C42 | C47 | H54 | 82.1° | 44.0° |
| C43 | C42 | C47 | H55 | 41.4° | 78.2° |
| C31 | C32 | C27 | C28 | 0.7° | 0.3° |
| C31 | C32 | C27 | H34 | 180.0° | 180.0° |
| C31 | C32 | C27 | C26 | 178.3° | 180.0° |
| C32 | C31 | C30 | H30 | 179.0° | 180.0° |
| C06 | N05 | C04 | H12 | 180.0° | 180.0° |
| N05 | C06 | N07 | C03 | 0.0° | 0.1° |
| C06 | N05 | C04 | C09 | 120.1° | 120.2° |
| C06 | N05 | C04 | C03 | 0.0° | 0.1° |
| C06 | N05 | C04 | H11 | 119.8° | 118.3° |
| N05 | C06 | N07 | H13 | 180.0° | 180.0° |
| N07 | C06 | N05 | C04 | 0.0° | 0.0° |
| C06 | N07 | C03 | H13 | 180.0° | 179.9° |
| C06 | N07 | C03 | C04 | 0.0° | 0.2° |
| C06 | N07 | C03 | C02 | 120.3° | 120.0° |
| N07 | C06 | N05 | H12 | 180.0° | 180.0° |
| C06 | N07 | C03 | H14 | 119.2° | 118.0° |
| C28 | C27 | C32 | C26 | 179.1° | 179.7° |
| C28 | C27 | C26 | C25 | 72.9° | 90.0° |
| C28 | C27 | C26 | H28 | 46.9° | 150.0° |
| C28 | C27 | C26 | H29 | 167.2° | 29.9° |
| C28 | C27 | C32 | H34 | 179.3° | 179.7° |
| C27 | C28 | C29 | H35 | 179.8° | 179.7° |
| C46 | C41 | C42 | C40 | 169.5° | 180.0° |
| C46 | C41 | C42 | C47 | 176.5° | 180.0° |
| C46 | C41 | C40 | C48 | 166.2° | 162.8° |
| C46 | C41 | C40 | N39 | 49.4° | 43.9° |
| C46 | C41 | C40 | H48 | 78.6° | 78.2° |
| C41 | C46 | C45 | H50 | 176.4° | 180.0° |
| N05 | C04 | C03 | N07 | 0.0° | 0.2° |
| N05 | C04 | C09 | C03 | 119.4° | 115.1° |
| N05 | C04 | C09 | H11 | 122.2° | 121.7° |
| N05 | C04 | C03 | H11 | 121.7° | 118.5° |
| N05 | C04 | C09 | S01 | 118.7° | 90.2° |
| N05 | C04 | C03 | C02 | 120.3° | 117.8° |
| N05 | C04 | C09 | H10 | 121.8° | 28.1° |
| N05 | C04 | C03 | H14 | 121.0° | 118.1° |
| N05 | C04 | C09 | H56 | 0.8° | 151.3° |
| C41 | C42 | C47 | C48 | 14.1° | 17.2° |
| C42 | C41 | C40 | C48 | 24.9° | 17.2° |
| C42 | C41 | C40 | N39 | 141.7° | 136.1° |
| C42 | C41 | C40 | H48 | 90.3° | 101.8° |
| C42 | C41 | C46 | H49 | 171.5° | 180.0° |
| C41 | C42 | C43 | H52 | 174.6° | 179.9° |
| C41 | C42 | C47 | H54 | 104.1° | 136.1° |
| C41 | C42 | C47 | H55 | 132.3° | 101.8° |
| C47 | C42 | C41 | C40 | 7.0° | 0.0° |
| C42 | C47 | C48 | H54 | 118.2° | 118.9° |
| C42 | C47 | C48 | H55 | 118.2° | 118.9° |
| C42 | C47 | C48 | C40 | 29.2° | 26.4° |
| C42 | C47 | C48 | O49 | 91.5° | 91.9° |
| C42 | C47 | C48 | H51 | 146.5° | 144.7° |
| C47 | C42 | C43 | H52 | 1.3° | 0.1° |
| C42 | C47 | H54 | H55 | 125.0° | 122.1° |
| C32 | C27 | C26 | C25 | 106.1° | 90.3° |
| C32 | C27 | C26 | H28 | 134.0° | 29.7° |
| C32 | C27 | C26 | H29 | 13.8° | 149.7° |
| C32 | C27 | C28 | H33 | 179.0° | 179.7° |
| C27 | C32 | C31 | H36 | 179.7° | 179.7° |
| C27 | C26 | C25 | H28 | 119.9° | 120.0° |
| C27 | C26 | C25 | H29 | 119.9° | 120.0° |
| C27 | C26 | C25 | N24 | 54.8° | 65.0° |
| C27 | C26 | C25 | C33 | 174.0° | 175.0° |
| C27 | C26 | H28 | H29 | 120.3° | 120.0° |
| C27 | C26 | C25 | H31 | 66.0° | 55.0° |
| C26 | C27 | C28 | H33 | 1.9° | 0.0° |
| C26 | C27 | C32 | H34 | 1.7° | 0.0° |
| C41 | C40 | C48 | C47 | 33.8° | 26.4° |
| C41 | C40 | C48 | N39 | 123.2° | 118.9° |
| C41 | C40 | C48 | H48 | 115.9° | 119.1° |
| C41 | C40 | N39 | H48 | 127.5° | 122.2° |
| C41 | C40 | C48 | O49 | 87.0° | 91.8° |
| C41 | C40 | N39 | C38 | 99.3° | 89.3° |
| C41 | C40 | N39 | H46 | 80.7° | 90.7° |
| C40 | C41 | C46 | H49 | 3.9° | 0.1° |
| C41 | C40 | C48 | H51 | 151.1° | 144.8° |
| C47 | C48 | C40 | O49 | 120.8° | 118.2° |
| C47 | C48 | C40 | H51 | 117.3° | 118.4° |
| C47 | C48 | C40 | N39 | 157.0° | 145.3° |
| C47 | C48 | O49 | H51 | 120.8° | 123.6° |
| C47 | C48 | O49 | H47 | 180.0° | 67.0° |
| C47 | C48 | C40 | H48 | 82.1° | 92.7° |
| C48 | C47 | H54 | H55 | 125.0° | 122.2° |
| N07 | C03 | C04 | C09 | 120.1° | 118.0° |
| N07 | C03 | C04 | C02 | 120.3° | 117.6° |
| N07 | C03 | C04 | H14 | 121.1° | 118.3° |
| N07 | C03 | C02 | H14 | 122.1° | 121.8° |
| N07 | C03 | C02 | C10 | 1.8° | 28.4° |
| N07 | C03 | C02 | S01 | 118.4° | 90.1° |
| N07 | C03 | C02 | H9 | 122.4° | 151.6° |
| N07 | C03 | C04 | H11 | 121.7° | 118.7° |
| C09 | C04 | C03 | H11 | 118.2° | 123.3° |
| C04 | C09 | S01 | H10 | 119.5° | 118.2° |
| C04 | C09 | S01 | H56 | 119.5° | 118.6° |
| C09 | C04 | C03 | C02 | 0.2° | 0.3° |
| C04 | C09 | S01 | C02 | 1.3° | 34.7° |
| C04 | C09 | H10 | H56 | 121.5° | 123.4° |
| C09 | C04 | N05 | H12 | 59.8° | 59.8° |
| C09 | C04 | C03 | H14 | 118.9° | 123.7° |
| C03 | C04 | C09 | S01 | 0.7° | 24.9° |
| C04 | C03 | C02 | H14 | 118.5° | 123.8° |
| C04 | C03 | C02 | C10 | 121.3° | 142.8° |
| C04 | C03 | C02 | S01 | 1.1° | 24.3° |
| C04 | C03 | C02 | H9 | 118.2° | 94.0° |
| C03 | C04 | C09 | H10 | 118.8° | 143.1° |
| C03 | C04 | N05 | H12 | 180.0° | 179.9° |
| C04 | C03 | N07 | H13 | 180.0° | 179.9° |
| C03 | C04 | C09 | H56 | 120.2° | 93.6° |
| C26 | C25 | N24 | C33 | 121.2° | 120.0° |
| C26 | C25 | N24 | H31 | 120.2° | 120.0° |
| C26 | C25 | C33 | H31 | 119.9° | 120.0° |
| C26 | C25 | N24 | C23 | 136.7° | 85.0° |
| C26 | C25 | C33 | C34 | 88.2° | 65.0° |
| C26 | C25 | C33 | O56 | 31.0° | 55.0° |
| C26 | C25 | N24 | H26 | 43.4° | 95.0° |
| C26 | C25 | C33 | H27 | 153.6° | 175.0° |
| C25 | C26 | H28 | H29 | 120.3° | 120.0° |
| C09 | S01 | C02 | C03 | 1.5° | 34.6° |
| C09 | S01 | C02 | C10 | 121.7° | 153.0° |
| C09 | S01 | C02 | H9 | 118.6° | 83.8° |
| S01 | C09 | H10 | H56 | 121.5° | 123.3° |
| S01 | C09 | C04 | H11 | 119.2° | 148.1° |
| C48 | C40 | N39 | H48 | 119.8° | 122.0° |
| C40 | C48 | O49 | H51 | 120.9° | 123.4° |
| C48 | C40 | N39 | C38 | 148.0° | 155.0° |
| C48 | C40 | N39 | H46 | 32.0° | 25.0° |
| C40 | C48 | O49 | H47 | 61.8° | 180.0° |
| C40 | C48 | C47 | H54 | 89.0° | 145.2° |
| C40 | C48 | C47 | H55 | 147.4° | 92.6° |
| N39 | C40 | C48 | O49 | 36.2° | 27.1° |
| C40 | N39 | C38 | O50 | 6.6° | 0.0° |
| C40 | N39 | C38 | H46 | 180.0° | 180.0° |
| C40 | N39 | C38 | C37 | 172.5° | 180.0° |
| N39 | C40 | C48 | H51 | 85.8° | 96.3° |
| C03 | C02 | C10 | S01 | 119.7° | 113.5° |
| C03 | C02 | C10 | H9 | 121.0° | 123.3° |
| C03 | C02 | C10 | C11 | 146.9° | 177.6° |
| C03 | C02 | S01 | H9 | 120.1° | 118.4° |
| C03 | C02 | C10 | H7 | 93.0° | 57.5° |
| C03 | C02 | C10 | H8 | 26.8° | 62.5° |
| C02 | C03 | C04 | H11 | 118.0° | 123.7° |
| C02 | C03 | N07 | H13 | 59.7° | 60.1° |
| C02 | C10 | C11 | H7 | 120.1° | 120.1° |
| C02 | C10 | C11 | H8 | 120.1° | 119.9° |
| C10 | C02 | S01 | H9 | 119.7° | 123.2° |
| C02 | C10 | C11 | C12 | 156.5° | 180.0° |
| C02 | C10 | C11 | H5 | 36.5° | 59.9° |
| C02 | C10 | C11 | H6 | 83.5° | 60.0° |
| C02 | C10 | H7 | H8 | 119.8° | 120.0° |
| C10 | C02 | C03 | H14 | 120.2° | 93.4° |
| C11 | C10 | C02 | S01 | 93.3° | 68.9° |
| C10 | C11 | C12 | H5 | 120.0° | 120.0° |
| C10 | C11 | C12 | H6 | 120.0° | 119.9° |
| C10 | C11 | C12 | C13 | 139.2° | 180.0° |
| C10 | C11 | C12 | H3 | 100.6° | 60.0° |
| C10 | C11 | C12 | H4 | 19.1° | 60.1° |
| C10 | C11 | H5 | H6 | 120.0° | 119.9° |
| C11 | C10 | H7 | H8 | 119.8° | 119.9° |
| C11 | C10 | C02 | H9 | 25.9° | 54.3° |
| O49 | C48 | C40 | H48 | 157.1° | 149.1° |
| O49 | C48 | C47 | H54 | 150.2° | 27.0° |
| O49 | C48 | C47 | H55 | 26.7° | 149.2° |
| C59 | C58 | C60 | C20 | 177.0° | 179.7° |
| C59 | C58 | C60 | C16 | 179.4° | 180.0° |
| C59 | C58 | C20 | O21 | 2.0° | 0.3° |
| C59 | C58 | C20 | C18 | 178.0° | 179.8° |
| C59 | C58 | C60 | H20 | 0.7° | 0.3° |
| C58 | C59 | H21 | H22 | 120.0° | 120.1° |
| C58 | C59 | H21 | H23 | 120.0° | 120.0° |
| C58 | C59 | H22 | H23 | 120.0° | 120.0° |
| S01 | C02 | C10 | H7 | 26.7° | 171.0° |
| S01 | C02 | C10 | H8 | 146.6° | 51.0° |
| C02 | S01 | C09 | H10 | 118.2° | 153.0° |
| S01 | C02 | C03 | H14 | 119.5° | 148.2° |
| C02 | S01 | C09 | H56 | 120.8° | 83.8° |
| O61 | C14 | C13 | C12 | 32.6° | 0.3° |
| O61 | C14 | C13 | N15 | 179.9° | 179.7° |
| O61 | C14 | N15 | C16 | 0.4° | 4.3° |
| O61 | C14 | C13 | H1 | 152.6° | 119.7° |
| O61 | C14 | C13 | H2 | 87.4° | 120.3° |
| O61 | C14 | N15 | H19 | 179.6° | 175.7° |
| O50 | C38 | N39 | C37 | 179.1° | 180.0° |
| O50 | C38 | C37 | N36 | 35.0° | 18.5° |
| O50 | C38 | C37 | C51 | 80.7° | 105.1° |
| O50 | C38 | C37 | H37 | 154.9° | 136.8° |
| O50 | C38 | N39 | H46 | 173.4° | 180.0° |
| C11 | C12 | C13 | H3 | 120.1° | 120.0° |
| C11 | C12 | C13 | H4 | 120.1° | 120.0° |
| C11 | C12 | C13 | C14 | 122.8° | 180.0° |
| C11 | C12 | C13 | H1 | 2.8° | 60.0° |
| C11 | C12 | C13 | H2 | 117.2° | 60.0° |
| C11 | C12 | H3 | H4 | 119.6° | 120.0° |
| C12 | C11 | H5 | H6 | 120.0° | 120.0° |
| C12 | C11 | C10 | H7 | 83.4° | 59.9° |
| C12 | C11 | C10 | H8 | 36.4° | 60.1° |
| C12 | C13 | C14 | H1 | 120.0° | 120.0° |
| C12 | C13 | C14 | H2 | 120.1° | 120.0° |
| C12 | C13 | C14 | N15 | 147.3° | 180.0° |
| C12 | C13 | H1 | H2 | 119.9° | 120.0° |
| C13 | C12 | H3 | H4 | 119.6° | 120.0° |
| C13 | C12 | C11 | H5 | 19.2° | 60.0° |
| C13 | C12 | C11 | H6 | 100.8° | 60.0° |
| N24 | C25 | C33 | H31 | 119.2° | 120.0° |
| C25 | N24 | C23 | H26 | 180.0° | 180.0° |
| C25 | N24 | C23 | O57 | 1.3° | 0.0° |
| C25 | N24 | C23 | C22 | 179.9° | 180.0° |
| N24 | C25 | C33 | C34 | 150.9° | 175.0° |
| N24 | C25 | C33 | O56 | 89.9° | 65.0° |
| N24 | C25 | C33 | H27 | 32.7° | 55.0° |
| N24 | C25 | C26 | H28 | 174.7° | 175.0° |
| N24 | C25 | C26 | H29 | 65.1° | 55.0° |
| C33 | C25 | N24 | C23 | 102.1° | 155.0° |
| C25 | C33 | C34 | O35 | 87.9° | 115.1° |
| C25 | C33 | C34 | O56 | 122.1° | 120.0° |
| C25 | C33 | C34 | H27 | 118.5° | 120.0° |
| C25 | C33 | C34 | N36 | 91.5° | 65.0° |
| C25 | C33 | O56 | H27 | 121.6° | 120.0° |
| C33 | C25 | N24 | H26 | 77.8° | 25.0° |
| C33 | C25 | C26 | H28 | 66.1° | 55.0° |
| C33 | C25 | C26 | H29 | 54.1° | 65.0° |
| C25 | C33 | O56 | H32 | 106.8° | 60.0° |
| N39 | C38 | C37 | N36 | 145.9° | 161.5° |
| N39 | C38 | C37 | C51 | 98.4° | 74.9° |
| N39 | C38 | C37 | H37 | 26.0° | 43.1° |
| C38 | N39 | C40 | H48 | 28.2° | 32.9° |
| N24 | C23 | O57 | C22 | 178.8° | 180.0° |
| N24 | C23 | C22 | O21 | 21.3° | 180.0° |
| N24 | C23 | C22 | H24 | 98.4° | 59.9° |
| N24 | C23 | C22 | H25 | 141.0° | 60.0° |
| C23 | N24 | C25 | H31 | 16.5° | 35.0° |
| O35 | C34 | C33 | N36 | 179.4° | 179.9° |
| O35 | C34 | C33 | O56 | 34.2° | 4.9° |
| O35 | C34 | N36 | C37 | 1.9° | 0.2° |
| O35 | C34 | N36 | C55 | 178.2° | 179.9° |
| O35 | C34 | C33 | H27 | 153.6° | 125.0° |
| C38 | C37 | N36 | C34 | 73.5° | 60.1° |
| C38 | C37 | N36 | C51 | 125.5° | 121.0° |
| C38 | C37 | N36 | H37 | 121.1° | 118.3° |
| C38 | C37 | C51 | H37 | 125.2° | 118.1° |
| C38 | C37 | N36 | C55 | 109.5° | 120.2° |
| C38 | C37 | C51 | C53 | 37.1° | 26.1° |
| C38 | C37 | C51 | S54 | 85.8° | 144.1° |
| C38 | C37 | C51 | C52 | 153.8° | 97.9° |
| C37 | C38 | N39 | H46 | 7.5° | 0.0° |
| C58 | C60 | C16 | H20 | 180.0° | 179.8° |
| C60 | C58 | C20 | O21 | 179.0° | 180.0° |
| C60 | C58 | C20 | C18 | 1.1° | 0.5° |
| C58 | C60 | C16 | N15 | 171.7° | 180.0° |
| C58 | C60 | C16 | C17 | 2.9° | 0.0° |
| C60 | C58 | C59 | H21 | 88.4° | 90.0° |
| C60 | C58 | C59 | H22 | 151.5° | 150.0° |
| C60 | C58 | C59 | H23 | 31.5° | 30.0° |
| C20 | C58 | C60 | C16 | 3.7° | 0.2° |
| C58 | C20 | O21 | C22 | 94.9° | 90.0° |
| C58 | C20 | O21 | C18 | 180.0° | 179.5° |
| C58 | C20 | C18 | C17 | 2.4° | 0.5° |
| C58 | C20 | C18 | C19 | 177.6° | 179.7° |
| C20 | C58 | C60 | H20 | 176.3° | 180.0° |
| C20 | C58 | C59 | H21 | 88.5° | 89.7° |
| C20 | C58 | C59 | H22 | 31.5° | 30.3° |
| C20 | C58 | C59 | H23 | 151.6° | 150.3° |
| C60 | C16 | N15 | C14 | 38.2° | 144.9° |
| C60 | C16 | N15 | C17 | 169.3° | 180.0° |
| C60 | C16 | C17 | C18 | 0.5° | 0.0° |
| C60 | C16 | C17 | H18 | 179.5° | 180.0° |
| C60 | C16 | N15 | H19 | 141.8° | 35.1° |
| O57 | C23 | C22 | O21 | 159.9° | 0.0° |
| O57 | C23 | C22 | H24 | 80.4° | 120.0° |
| O57 | C23 | C22 | H25 | 40.2° | 120.0° |
| O57 | C23 | N24 | H26 | 178.7° | 180.0° |
| C23 | C22 | O21 | H24 | 119.7° | 120.0° |
| C23 | C22 | O21 | H25 | 119.7° | 120.0° |
| C23 | C22 | O21 | C20 | 163.3° | 180.0° |
| C23 | C22 | H24 | H25 | 120.9° | 120.0° |
| C22 | C23 | N24 | H26 | 0.1° | 0.0° |
| C13 | C14 | N15 | C16 | 179.6° | 175.4° |
| C14 | C13 | H1 | H2 | 119.9° | 120.0° |
| C14 | C13 | C12 | H3 | 117.1° | 60.0° |
| C14 | C13 | C12 | H4 | 2.7° | 60.0° |
| C13 | C14 | N15 | H19 | 0.4° | 4.6° |
| C14 | N15 | C16 | H19 | 180.0° | 180.0° |
| C14 | N15 | C16 | C17 | 152.6° | 35.1° |
| N15 | C14 | C13 | H1 | 27.3° | 60.0° |
| N15 | C14 | C13 | H2 | 92.6° | 60.0° |
| C34 | C33 | O56 | H27 | 118.1° | 120.1° |
| C33 | C34 | N36 | C37 | 178.6° | 179.7° |
| C33 | C34 | N36 | C55 | 2.3° | 0.0° |
| C34 | C33 | C25 | H31 | 31.7° | 55.0° |
| C34 | C33 | O56 | H32 | 13.5° | 59.9° |
| N36 | C34 | C33 | O56 | 146.4° | 175.0° |
| C34 | N36 | C37 | C55 | 177.0° | 179.7° |
| C34 | N36 | C37 | C51 | 161.0° | 178.9° |
| C34 | N36 | C55 | S54 | 173.0° | 155.3° |
| N36 | C34 | C33 | H27 | 27.0° | 54.9° |
| C34 | N36 | C37 | H37 | 47.6° | 58.2° |
| C34 | N36 | C55 | H38 | 66.9° | 37.0° |
| C34 | N36 | C55 | H39 | 53.0° | 86.5° |
| O56 | C33 | C25 | H31 | 150.9° | 175.0° |
| C22 | O21 | C20 | C18 | 85.1° | 90.5° |
| O21 | C22 | H24 | H25 | 120.8° | 120.0° |
| O21 | C20 | C18 | C17 | 177.6° | 180.0° |
| O21 | C20 | C18 | C19 | 2.4° | 0.2° |
| C20 | O21 | C22 | H24 | 43.6° | 60.0° |
| C20 | O21 | C22 | H25 | 76.9° | 60.0° |
| C20 | C18 | C17 | C16 | 3.1° | 0.3° |
| C20 | C18 | C17 | C19 | 180.0° | 179.7° |
| C20 | C18 | C19 | H15 | 90.0° | 90.3° |
| C20 | C18 | C19 | H16 | 150.0° | 29.7° |
| C20 | C18 | C19 | H17 | 30.0° | 149.7° |
| C20 | C18 | C17 | H18 | 176.9° | 179.8° |
| N36 | C37 | C51 | H37 | 113.1° | 120.9° |
| C37 | N36 | C55 | S54 | 10.4° | 24.5° |
| N36 | C37 | C51 | C53 | 158.8° | 94.9° |
| N36 | C37 | C51 | S54 | 35.8° | 23.1° |
| N36 | C37 | C51 | C52 | 84.6° | 141.1° |
| C37 | N36 | C55 | H38 | 109.7° | 142.8° |
| C37 | N36 | C55 | H39 | 130.5° | 93.7° |
| C51 | C37 | N36 | C55 | 16.0° | 0.8° |
| C37 | C51 | S54 | C55 | 39.7° | 32.1° |
| C37 | C51 | C53 | S54 | 120.5° | 111.9° |
| C37 | C51 | C53 | C52 | 115.0° | 124.1° |
| C37 | C51 | S54 | C52 | 116.8° | 118.0° |
| C37 | C51 | C52 | H40 | 180.0° | 60.0° |
| C37 | C51 | C52 | H41 | 60.0° | 179.9° |
| C37 | C51 | C52 | H42 | 60.0° | 60.0° |
| C37 | C51 | C53 | H43 | 180.0° | 60.0° |
| C37 | C51 | C53 | H44 | 60.0° | 180.0° |
| C37 | C51 | C53 | H45 | 60.0° | 60.0° |
| N36 | C55 | S54 | H38 | 120.1° | 118.3° |
| N36 | C55 | S54 | H39 | 120.1° | 118.3° |
| N36 | C55 | S54 | C51 | 28.6° | 33.2° |
| C55 | N36 | C37 | H37 | 129.4° | 121.6° |
| N36 | C55 | H38 | H39 | 119.8° | 123.5° |
| N15 | C16 | C17 | C18 | 168.5° | 180.0° |
| N15 | C16 | C17 | H18 | 11.5° | 0.1° |
| N15 | C16 | C60 | H20 | 8.3° | 0.2° |
| C16 | C17 | C18 | H18 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 176.9° | 180.0° |
| C17 | C16 | N15 | H19 | 27.4° | 144.9° |
| C17 | C16 | C60 | H20 | 177.0° | 179.8° |
| C55 | S54 | C51 | C53 | 160.2° | 85.9° |
| C55 | S54 | C51 | C52 | 77.1° | 150.1° |
| S54 | C55 | H38 | H39 | 119.7° | 123.2° |
| C53 | C51 | S54 | C52 | 122.8° | 124.0° |
| C53 | C51 | C37 | H37 | 88.1° | 144.2° |
| C53 | C51 | C52 | H40 | 63.4° | 176.0° |
| C53 | C51 | C52 | H41 | 56.6° | 56.0° |
| C53 | C51 | C52 | H42 | 176.6° | 64.1° |
| C51 | C53 | H43 | H44 | 120.0° | 120.0° |
| C51 | C53 | H43 | H45 | 120.0° | 120.0° |
| C51 | C53 | H44 | H45 | 120.0° | 120.0° |
| C17 | C18 | C19 | H15 | 90.0° | 90.0° |
| C17 | C18 | C19 | H16 | 30.0° | 150.0° |
| C17 | C18 | C19 | H17 | 150.0° | 30.0° |
| C18 | C19 | H15 | H16 | 120.0° | 120.1° |
| C18 | C19 | H15 | H17 | 120.0° | 120.0° |
| C18 | C19 | H16 | H17 | 120.0° | 120.0° |
| C19 | C18 | C17 | H18 | 3.1° | 0.1° |
| S54 | C51 | C37 | H37 | 149.0° | 97.8° |
| C51 | S54 | C55 | H38 | 91.5° | 151.5° |
| C51 | S54 | C55 | H39 | 148.7° | 85.1° |
| S54 | C51 | C52 | H40 | 61.6° | 51.9° |
| S54 | C51 | C52 | H41 | 178.3° | 68.0° |
| S54 | C51 | C52 | H42 | 58.4° | 171.9° |
| S54 | C51 | C53 | H43 | 59.5° | 171.9° |
| S54 | C51 | C53 | H44 | 60.5° | 68.1° |
| S54 | C51 | C53 | H45 | 179.5° | 51.9° |
| C52 | C51 | C37 | H37 | 28.6° | 20.2° |
| C51 | C52 | H40 | H41 | 120.0° | 120.0° |
| C51 | C52 | H40 | H42 | 120.0° | 120.0° |
| C51 | C52 | H41 | H42 | 120.0° | 120.0° |
| C52 | C51 | C53 | H43 | 65.0° | 64.1° |
| C52 | C51 | C53 | H44 | 175.0° | 56.0° |
| C52 | C51 | C53 | H45 | 55.0° | 176.0° |
| H1 | C13 | C12 | H3 | 122.9° | 180.0° |
| H1 | C13 | C12 | H4 | 117.4° | 60.0° |
| H2 | C13 | C12 | H3 | 2.9° | 60.1° |
| H2 | C13 | C12 | H4 | 122.7° | 179.9° |
| H3 | C12 | C11 | H5 | 139.4° | 180.0° |
| H3 | C12 | C11 | H6 | 19.4° | 60.0° |
| H4 | C12 | C11 | H5 | 100.9° | 60.0° |
| H4 | C12 | C11 | H6 | 139.1° | 180.0° |
| H5 | C11 | C10 | H7 | 156.6° | 180.0° |
| H5 | C11 | C10 | H8 | 83.6° | 60.0° |
| H6 | C11 | C10 | H7 | 36.6° | 60.0° |
| H6 | C11 | C10 | H8 | 156.4° | 180.0° |
| H7 | C10 | C02 | H9 | 146.0° | 65.7° |
| H8 | C10 | C02 | H9 | 94.1° | 174.2° |
| H9 | C02 | C03 | H14 | 0.3° | 29.8° |
| H10 | C09 | C04 | H11 | 0.4° | 93.6° |
| H11 | C04 | N05 | H12 | 60.2° | 61.7° |
| H11 | C04 | C03 | H14 | 0.6° | 0.4° |
| H11 | C04 | C09 | H56 | 121.4° | 29.6° |
| H13 | N07 | C03 | H14 | 60.8° | 61.9° |
| H15 | C19 | H16 | H17 | 120.0° | 120.0° |
| H21 | C59 | H22 | H23 | 120.0° | 120.0° |
| H26 | N24 | C25 | H31 | 163.6° | 145.0° |
| H27 | C33 | C25 | H31 | 86.5° | 65.0° |
| H27 | C33 | O56 | H32 | 131.6° | 180.0° |
| H28 | C26 | C25 | H31 | 53.9° | 65.0° |
| H29 | C26 | C25 | H31 | 174.1° | 175.0° |
| H30 | C30 | C29 | H35 | 0.8° | 0.3° |
| H30 | C30 | C31 | H36 | 1.1° | 0.4° |
| H33 | C28 | C29 | H35 | 0.2° | 0.3° |
| H34 | C32 | C31 | H36 | 0.3° | 0.3° |
| H40 | C52 | H41 | H42 | 120.0° | 120.0° |
| H43 | C53 | H44 | H45 | 120.0° | 120.1° |
| H46 | N39 | C40 | H48 | 151.8° | 147.1° |
| H47 | O49 | C48 | H51 | 59.2° | 56.6° |
| H48 | C40 | C48 | H51 | 35.2° | 25.7° |
| H49 | C46 | C45 | H50 | 3.6° | 0.0° |
| H50 | C45 | C44 | H53 | 0.1° | 0.0° |
| H51 | C48 | C47 | H54 | 28.3° | 96.5° |
| H51 | C48 | C47 | H55 | 95.3° | 25.7° |
| H52 | C43 | C44 | H53 | 0.7° | 0.1° |
