94Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S46 | C45 | sing | 1.81Å | 1.81Å | |
| S46 | C47 | sing | 1.71Å | 1.76Å | |
| C45 | C44 | sing | 1.53Å | 1.51Å | |
| O63 | C47 | doub | 1.21Å | 1.20Å | |
| C47 | C48 | sing | 1.51Å | 1.50Å | |
| C48 | C49 | sing | 1.53Å | 1.51Å | |
| O64 | C42 | doub | 1.21Å | 1.19Å | |
| C41 | C42 | sing | 1.51Å | 1.49Å | |
| C41 | C40 | sing | 1.53Å | 1.50Å | |
| C42 | N43 | sing | 1.35Å | 1.29Å | |
| N43 | C44 | sing | 1.46Å | 1.51Å | |
| C40 | N39 | sing | 1.47Å | 1.49Å | |
| C49 | C50 | sing | 1.53Å | 1.32Å | |
| C50 | C51 | sing | 1.53Å | 1.52Å | |
| N26 | C25 | sing | 1.38Å | 1.34Å | |
| N39 | C38 | sing | 1.35Å | 1.29Å | |
| C25 | N24 | doub | 1.33Å | 1.34Å | Aromatic |
| C25 | C20 | sing | 1.41Å | 1.41Å | Aromatic |
| C51 | C52 | sing | 1.53Å | 1.51Å | |
| N24 | C23 | sing | 1.32Å | 1.33Å | Aromatic |
| C38 | O65 | doub | 1.21Å | 1.21Å | |
| C38 | C02 | sing | 1.51Å | 1.50Å | |
| C53 | C52 | sing | 1.53Å | 1.32Å | |
| C53 | C54 | sing | 1.53Å | 1.51Å | |
| C55 | C54 | sing | 1.53Å | 1.51Å | |
| C55 | C56 | sing | 1.53Å | 1.52Å | |
| C59 | C56 | sing | 1.53Å | 1.50Å | |
| C59 | C60 | sing | 1.53Å | 1.49Å | |
| C56 | N58 | sing | 1.47Å | 1.48Å | |
| C56 | N57 | sing | 1.46Å | 1.48Å | |
| C20 | N19 | sing | 1.35Å | 1.41Å | Aromatic |
| C20 | C21 | doub | 1.41Å | 1.39Å | Aromatic |
| C23 | N22 | doub | 1.32Å | 1.34Å | Aromatic |
| C02 | C03 | sing | 1.53Å | 1.52Å | |
| C02 | O01 | sing | 1.43Å | 1.41Å | |
| C62 | C61 | trip | 1.17Å | 1.20Å | |
| N58 | N57 | doub | 1.24Å | 1.24Å | |
| N19 | C18 | doub | 1.30Å | 1.32Å | Aromatic |
| C37 | C03 | sing | 1.53Å | 1.50Å | |
| C04 | C03 | sing | 1.53Å | 1.49Å | |
| C61 | C60 | sing | 1.47Å | 1.51Å | |
| C03 | C05 | sing | 1.53Å | 1.50Å | |
| C21 | N22 | sing | 1.33Å | 1.34Å | Aromatic |
| C21 | N17 | sing | 1.37Å | 1.39Å | Aromatic |
| C18 | N17 | sing | 1.36Å | 1.38Å | Aromatic |
| N17 | C15 | sing | 1.47Å | 1.45Å | |
| C05 | O06 | sing | 1.43Å | 1.39Å | |
| O06 | P07 | sing | 1.61Å | 1.60Å | |
| O35 | P07 | doub | 1.48Å | 1.49Å | |
| O27 | C14 | sing | 1.43Å | 1.39Å | |
| C15 | C14 | sing | 1.54Å | 1.53Å | |
| C15 | O16 | sing | 1.45Å | 1.40Å | |
| C14 | C13 | sing | 1.54Å | 1.53Å | |
| P07 | O36 | sing | 1.61Å | 1.61Å | |
| P07 | O08 | sing | 1.61Å | 1.60Å | |
| O16 | C12 | sing | 1.44Å | 1.40Å | |
| O08 | P09 | sing | 1.61Å | 1.60Å | |
| C13 | C12 | sing | 1.54Å | 1.51Å | |
| C13 | O28 | sing | 1.43Å | 1.41Å | |
| C12 | C11 | sing | 1.53Å | 1.51Å | |
| O31 | P29 | doub | 1.48Å | 1.60Å | |
| O28 | P29 | sing | 1.61Å | 1.62Å | |
| C11 | O10 | sing | 1.43Å | 1.41Å | |
| O10 | P09 | sing | 1.61Å | 1.60Å | |
| O33 | P09 | doub | 1.48Å | 1.59Å | |
| P09 | O34 | sing | 1.61Å | 1.50Å | |
| P29 | O32 | sing | 1.61Å | 1.50Å | |
| P29 | O30 | sing | 1.61Å | 1.61Å | |
| C02 | H1 | sing | 1.09Å | 1.10Å | |
| C04 | H2 | sing | 1.09Å | 1.10Å | |
| C04 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H4 | sing | 1.09Å | 1.10Å | |
| C05 | H5 | sing | 1.09Å | 1.10Å | |
| C05 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.08Å | 1.08Å | |
| C23 | H14 | sing | 1.08Å | 1.08Å | |
| C37 | H15 | sing | 1.09Å | 1.10Å | |
| C37 | H16 | sing | 1.09Å | 1.10Å | |
| C37 | H17 | sing | 1.09Å | 1.10Å | |
| C40 | H18 | sing | 1.09Å | 1.10Å | |
| C40 | H19 | sing | 1.09Å | 1.10Å | |
| C41 | H20 | sing | 1.09Å | 1.10Å | |
| C41 | H21 | sing | 1.09Å | 1.10Å | |
| C44 | H22 | sing | 1.09Å | 1.10Å | |
| C44 | H23 | sing | 1.09Å | 1.10Å | |
| C45 | H24 | sing | 1.09Å | 1.10Å | |
| C45 | H25 | sing | 1.09Å | 1.10Å | |
| C48 | H26 | sing | 1.09Å | 1.10Å | |
| C48 | H27 | sing | 1.09Å | 1.10Å | |
| C49 | H28 | sing | 1.09Å | 1.10Å | |
| C50 | H29 | sing | 1.09Å | 1.10Å | |
| C51 | H30 | sing | 1.09Å | 1.10Å | |
| C51 | H31 | sing | 1.09Å | 1.10Å | |
| C52 | H32 | sing | 1.09Å | 1.10Å | |
| C53 | H33 | sing | 1.09Å | 1.10Å | |
| C54 | H34 | sing | 1.09Å | 1.10Å | |
| C54 | H35 | sing | 1.09Å | 1.10Å | |
| C55 | H36 | sing | 1.09Å | 1.10Å | |
| C55 | H37 | sing | 1.09Å | 1.10Å | |
| C59 | H38 | sing | 1.09Å | 1.10Å | |
| C59 | H39 | sing | 1.09Å | 1.10Å | |
| C60 | H40 | sing | 1.09Å | 1.10Å | |
| C60 | H41 | sing | 1.09Å | 1.10Å | |
| C62 | H42 | sing | 1.05Å | 1.06Å | |
| N26 | H43 | sing | 0.97Å | 1.00Å | |
| N26 | H44 | sing | 0.97Å | 1.00Å | |
| N39 | H45 | sing | 0.97Å | 1.00Å | |
| N43 | H46 | sing | 0.97Å | 1.00Å | |
| O01 | H49 | sing | 0.97Å | 0.95Å | |
| O27 | H50 | sing | 0.97Å | 0.95Å | |
| O30 | H51 | sing | 0.97Å | 0.95Å | |
| O32 | H52 | sing | 0.97Å | 0.95Å | |
| O34 | H53 | sing | 0.97Å | 0.95Å | |
| O36 | H54 | sing | 0.97Å | 0.95Å | |
| C49 | H55 | sing | 1.09Å | 1.10Å | |
| C50 | H56 | sing | 1.09Å | 1.10Å | |
| C52 | H57 | sing | 1.09Å | 1.10Å | |
| C53 | H58 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C45 | S46 | C47 | 99.4° | 100.0° |
| S46 | C45 | C44 | 112.1° | 109.5° |
| S46 | C45 | H24 | 108.8° | 109.5° |
| S46 | C45 | H25 | 108.8° | 109.5° |
| S46 | C47 | O63 | 121.7° | 120.0° |
| S46 | C47 | C48 | 116.8° | 120.0° |
| C45 | C44 | N43 | 112.9° | 109.5° |
| C45 | C44 | H22 | 108.6° | 109.5° |
| C45 | C44 | H23 | 108.6° | 109.4° |
| C44 | C45 | H24 | 108.8° | 109.5° |
| C44 | C45 | H25 | 108.8° | 109.5° |
| O63 | C47 | C48 | 121.5° | 120.0° |
| C47 | C48 | C49 | 112.3° | 109.4° |
| C47 | C48 | H26 | 108.7° | 109.5° |
| C47 | C48 | H27 | 108.7° | 109.5° |
| C48 | C49 | C50 | 125.3° | 109.4° |
| C49 | C48 | H26 | 108.8° | 109.5° |
| C49 | C48 | H27 | 108.8° | 109.4° |
| C48 | C49 | H28 | 105.4° | 109.4° |
| C48 | C49 | H55 | 105.4° | 109.5° |
| O64 | C42 | C41 | 119.5° | 120.0° |
| O64 | C42 | N43 | 119.4° | 120.0° |
| C42 | C41 | C40 | 108.5° | 109.5° |
| C41 | C42 | N43 | 121.1° | 120.0° |
| C42 | C41 | H20 | 109.7° | 109.5° |
| C42 | C41 | H21 | 109.7° | 109.5° |
| C41 | C40 | N39 | 100.9° | 109.5° |
| C41 | C40 | H18 | 111.6° | 109.4° |
| C41 | C40 | H19 | 111.5° | 109.4° |
| C40 | C41 | H20 | 109.7° | 109.5° |
| C40 | C41 | H21 | 109.7° | 109.4° |
| C42 | N43 | C44 | 121.0° | 120.0° |
| C42 | N43 | H46 | 119.5° | 120.0° |
| N43 | C44 | H22 | 108.6° | 109.5° |
| N43 | C44 | H23 | 108.6° | 109.5° |
| C44 | N43 | H46 | 119.5° | 120.1° |
| C40 | N39 | C38 | 131.0° | 120.0° |
| N39 | C40 | H18 | 111.5° | 109.5° |
| N39 | C40 | H19 | 111.6° | 109.5° |
| C40 | N39 | H45 | 114.5° | 120.0° |
| C49 | C50 | C51 | 123.4° | 109.4° |
| C50 | C49 | H28 | 105.4° | 109.5° |
| C49 | C50 | H29 | 105.9° | 109.5° |
| C50 | C49 | H55 | 105.4° | 109.5° |
| C49 | C50 | H56 | 105.9° | 109.5° |
| C50 | C51 | C52 | 113.2° | 109.5° |
| C51 | C50 | H29 | 105.9° | 109.4° |
| C50 | C51 | H30 | 108.6° | 109.4° |
| C50 | C51 | H31 | 108.5° | 109.5° |
| C51 | C50 | H56 | 105.9° | 109.4° |
| N26 | C25 | N24 | 122.4° | 120.8° |
| N26 | C25 | C20 | 120.4° | 120.8° |
| C25 | N26 | H43 | 109.5° | 120.0° |
| C25 | N26 | H44 | 109.4° | 120.0° |
| N39 | C38 | O65 | 125.5° | 120.1° |
| N39 | C38 | C02 | 107.9° | 120.0° |
| C38 | N39 | H45 | 114.5° | 120.1° |
| N24 | C25 | C20 | 117.3° | 118.5° |
| C25 | N24 | C23 | 120.8° | 121.2° |
| C25 | C20 | N19 | 133.1° | 134.7° |
| C25 | C20 | C21 | 116.0° | 118.1° |
| C51 | C52 | C53 | 124.4° | 109.5° |
| C52 | C51 | H30 | 108.5° | 109.4° |
| C52 | C51 | H31 | 108.5° | 109.5° |
| C51 | C52 | H32 | 105.6° | 109.5° |
| C51 | C52 | H57 | 105.6° | 109.5° |
| N24 | C23 | N22 | 127.4° | 122.5° |
| N24 | C23 | H14 | 116.3° | 118.8° |
| O65 | C38 | C02 | 126.6° | 120.0° |
| C38 | C02 | C03 | 113.9° | 109.5° |
| C38 | C02 | O01 | 112.1° | 109.5° |
| C38 | C02 | H1 | 104.7° | 109.5° |
| C52 | C53 | C54 | 125.0° | 109.5° |
| C53 | C52 | H32 | 105.6° | 109.4° |
| C52 | C53 | H33 | 105.5° | 109.4° |
| C53 | C52 | H57 | 105.6° | 109.5° |
| C52 | C53 | H58 | 105.5° | 109.5° |
| C53 | C54 | C55 | 113.4° | 109.5° |
| C54 | C53 | H33 | 105.5° | 109.4° |
| C53 | C54 | H34 | 108.5° | 109.5° |
| C53 | C54 | H35 | 108.5° | 109.5° |
| C54 | C53 | H58 | 105.4° | 109.5° |
| C54 | C55 | C56 | 110.0° | 109.5° |
| C55 | C54 | H34 | 108.5° | 109.5° |
| C55 | C54 | H35 | 108.5° | 109.5° |
| C54 | C55 | H36 | 109.3° | 109.5° |
| C54 | C55 | H37 | 109.3° | 109.5° |
| C55 | C56 | C59 | 118.8° | 116.3° |
| C55 | C56 | N58 | 116.9° | 118.6° |
| C55 | C56 | N57 | 118.7° | 118.5° |
| C56 | C55 | H36 | 109.3° | 109.4° |
| C56 | C55 | H37 | 109.4° | 109.4° |
| C56 | C59 | C60 | 108.0° | 109.5° |
| C59 | C56 | N58 | 115.5° | 118.6° |
| C59 | C56 | N57 | 118.6° | 118.6° |
| C56 | C59 | H38 | 109.8° | 109.5° |
| C56 | C59 | H39 | 109.8° | 109.5° |
| C59 | C60 | C61 | 111.3° | 109.5° |
| C60 | C59 | H38 | 109.8° | 109.5° |
| C60 | C59 | H39 | 109.9° | 109.5° |
| C59 | C60 | H40 | 109.0° | 109.5° |
| C59 | C60 | H41 | 109.0° | 109.5° |
| N58 | C56 | N57 | 49.6° | 50.1° |
| C56 | N58 | N57 | 65.2° | 65.0° |
| C56 | N57 | N58 | 65.2° | 65.0° |
| N19 | C20 | C21 | 110.8° | 107.1° |
| C20 | N19 | C18 | 103.2° | 109.4° |
| C20 | C21 | N22 | 127.3° | 119.1° |
| C20 | C21 | N17 | 105.6° | 106.0° |
| C23 | N22 | C21 | 111.2° | 120.6° |
| N22 | C23 | H14 | 116.3° | 118.7° |
| C03 | C02 | O01 | 114.7° | 109.4° |
| C02 | C03 | C37 | 105.2° | 109.5° |
| C02 | C03 | C04 | 115.9° | 109.5° |
| C02 | C03 | C05 | 111.5° | 109.5° |
| C03 | C02 | H1 | 104.5° | 109.5° |
| O01 | C02 | H1 | 105.7° | 109.5° |
| C02 | O01 | H49 | 109.5° | 114.1° |
| C62 | C61 | C60 | 175.9° | 180.0° |
| C61 | C62 | H42 | 180.0° | 180.0° |
| N19 | C18 | N17 | 114.3° | 110.0° |
| N19 | C18 | H13 | 122.9° | 125.0° |
| C37 | C03 | C04 | 107.1° | 109.5° |
| C37 | C03 | C05 | 116.1° | 109.5° |
| C03 | C37 | H15 | 109.5° | 109.5° |
| C03 | C37 | H16 | 109.5° | 109.5° |
| C03 | C37 | H17 | 109.5° | 109.5° |
| C04 | C03 | C05 | 101.4° | 109.4° |
| C03 | C04 | H2 | 109.5° | 109.5° |
| C03 | C04 | H3 | 109.5° | 109.5° |
| C03 | C04 | H4 | 109.4° | 109.4° |
| C61 | C60 | H40 | 109.0° | 109.5° |
| C61 | C60 | H41 | 109.0° | 109.5° |
| C03 | C05 | O06 | 113.4° | 109.5° |
| C03 | C05 | H5 | 108.5° | 109.5° |
| C03 | C05 | H6 | 108.5° | 109.5° |
| N22 | C21 | N17 | 127.1° | 134.9° |
| C21 | N17 | C18 | 106.2° | 107.4° |
| C21 | N17 | C15 | 127.0° | 126.3° |
| C18 | N17 | C15 | 126.8° | 126.3° |
| N17 | C18 | H13 | 122.8° | 125.0° |
| N17 | C15 | C14 | 109.3° | 110.4° |
| N17 | C15 | O16 | 113.7° | 110.4° |
| N17 | C15 | H12 | 110.1° | 110.4° |
| C05 | O06 | P07 | 120.0° | 123.0° |
| O06 | C05 | H5 | 108.5° | 109.5° |
| O06 | C05 | H6 | 108.5° | 109.4° |
| O06 | P07 | O35 | 108.5° | 109.5° |
| O06 | P07 | O36 | 112.5° | 109.5° |
| O06 | P07 | O08 | 107.2° | 109.4° |
| O35 | P07 | O36 | 110.0° | 109.5° |
| O35 | P07 | O08 | 104.3° | 109.5° |
| O27 | C14 | C15 | 108.4° | 110.6° |
| O27 | C14 | C13 | 113.6° | 110.5° |
| O27 | C14 | H11 | 113.3° | 110.4° |
| C14 | O27 | H50 | 109.5° | 114.0° |
| C14 | C15 | O16 | 103.4° | 104.9° |
| C15 | C14 | C13 | 98.2° | 104.1° |
| C15 | C14 | H11 | 111.2° | 110.5° |
| C14 | C15 | H12 | 109.1° | 110.4° |
| C15 | O16 | C12 | 109.2° | 105.2° |
| O16 | C15 | H12 | 110.9° | 110.3° |
| C14 | C13 | C12 | 99.3° | 104.0° |
| C14 | C13 | O28 | 109.5° | 110.5° |
| C14 | C13 | H10 | 111.9° | 110.7° |
| C13 | C14 | H11 | 111.2° | 110.5° |
| O36 | P07 | O08 | 113.9° | 109.4° |
| P07 | O36 | H54 | 109.5° | 114.0° |
| P07 | O08 | P09 | 117.1° | 134.0° |
| O16 | C12 | C13 | 107.1° | 104.9° |
| O16 | C12 | C11 | 107.6° | 110.4° |
| O16 | C12 | H9 | 109.7° | 110.3° |
| O08 | P09 | O10 | 107.9° | 109.5° |
| O08 | P09 | O33 | 114.0° | 109.5° |
| O08 | P09 | O34 | 107.4° | 109.5° |
| C12 | C13 | O28 | 109.0° | 110.5° |
| C13 | C12 | C11 | 116.0° | 110.4° |
| C13 | C12 | H9 | 108.3° | 110.4° |
| C12 | C13 | H10 | 112.3° | 110.5° |
| C13 | O28 | P29 | 114.5° | 123.0° |
| O28 | C13 | H10 | 113.9° | 110.4° |
| C12 | C11 | O10 | 106.8° | 109.5° |
| C12 | C11 | H7 | 110.1° | 109.5° |
| C12 | C11 | H8 | 110.1° | 109.5° |
| C11 | C12 | H9 | 108.1° | 110.3° |
| O31 | P29 | O28 | 110.2° | 109.5° |
| O31 | P29 | O32 | 107.8° | 109.5° |
| O31 | P29 | O30 | 109.6° | 109.4° |
| O28 | P29 | O32 | 108.6° | 109.5° |
| O28 | P29 | O30 | 109.1° | 109.5° |
| C11 | O10 | P09 | 112.5° | 123.0° |
| O10 | C11 | H7 | 110.2° | 109.5° |
| O10 | C11 | H8 | 110.1° | 109.4° |
| O10 | P09 | O33 | 107.7° | 109.5° |
| O10 | P09 | O34 | 110.5° | 109.5° |
| O33 | P09 | O34 | 109.3° | 109.5° |
| P09 | O34 | H53 | 109.5° | 114.0° |
| O32 | P29 | O30 | 111.6° | 109.5° |
| P29 | O32 | H52 | 109.5° | 114.0° |
| P29 | O30 | H51 | 109.5° | 114.0° |
| H2 | C04 | H3 | 109.5° | 109.5° |
| H2 | C04 | H4 | 109.5° | 109.5° |
| H3 | C04 | H4 | 109.5° | 109.5° |
| H5 | C05 | H6 | 109.5° | 109.5° |
| H7 | C11 | H8 | 109.5° | 109.5° |
| H15 | C37 | H16 | 109.5° | 109.5° |
| H15 | C37 | H17 | 109.5° | 109.5° |
| H16 | C37 | H17 | 109.4° | 109.5° |
| H18 | C40 | H19 | 109.5° | 109.5° |
| H20 | C41 | H21 | 109.5° | 109.5° |
| H22 | C44 | H23 | 109.5° | 109.5° |
| H24 | C45 | H25 | 109.5° | 109.4° |
| H26 | C48 | H27 | 109.5° | 109.5° |
| H28 | C49 | H55 | 109.5° | 109.5° |
| H29 | C50 | H56 | 109.5° | 109.5° |
| H30 | C51 | H31 | 109.5° | 109.5° |
| H32 | C52 | H57 | 109.5° | 109.4° |
| H33 | C53 | H58 | 109.5° | 109.5° |
| H34 | C54 | H35 | 109.5° | 109.4° |
| H36 | C55 | H37 | 109.4° | 109.4° |
| H38 | C59 | H39 | 109.4° | 109.4° |
| H40 | C60 | H41 | 109.5° | 109.4° |
| H43 | N26 | H44 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S46 | C45 | C44 | H24 | 120.4° | 120.0° |
| S46 | C45 | C44 | H25 | 120.4° | 120.0° |
| C45 | S46 | C47 | O63 | 22.4° | 0.0° |
| C45 | S46 | C47 | C48 | 157.7° | 180.0° |
| S46 | C45 | C44 | N43 | 127.6° | 180.0° |
| S46 | C45 | C44 | H22 | 111.8° | 60.0° |
| S46 | C45 | C44 | H23 | 7.1° | 60.0° |
| S46 | C45 | H24 | H25 | 118.8° | 120.0° |
| C47 | S46 | C45 | C44 | 98.3° | 180.0° |
| S46 | C47 | O63 | C48 | 179.8° | 179.9° |
| S46 | C47 | C48 | C49 | 103.4° | 180.0° |
| C47 | S46 | C45 | H24 | 141.3° | 59.9° |
| C47 | S46 | C45 | H25 | 22.1° | 60.0° |
| S46 | C47 | C48 | H26 | 136.2° | 60.0° |
| S46 | C47 | C48 | H27 | 17.0° | 60.1° |
| C45 | C44 | N43 | C42 | 78.2° | 180.0° |
| C45 | C44 | N43 | H22 | 120.5° | 120.0° |
| C45 | C44 | N43 | H23 | 120.5° | 119.9° |
| C45 | C44 | H22 | H23 | 118.4° | 120.0° |
| C44 | C45 | H24 | H25 | 118.8° | 120.0° |
| C45 | C44 | N43 | H46 | 101.8° | 0.1° |
| O63 | C47 | C48 | C49 | 76.7° | 0.0° |
| O63 | C47 | C48 | H26 | 43.7° | 120.0° |
| O63 | C47 | C48 | H27 | 162.8° | 120.0° |
| C47 | C48 | C49 | H26 | 120.4° | 120.0° |
| C47 | C48 | C49 | H27 | 120.4° | 120.0° |
| C47 | C48 | C49 | C50 | 177.0° | 180.0° |
| C47 | C48 | H26 | H27 | 118.7° | 120.0° |
| C47 | C48 | C49 | H28 | 54.9° | 60.0° |
| C47 | C48 | C49 | H55 | 60.9° | 60.0° |
| C48 | C49 | C50 | H28 | 122.1° | 119.9° |
| C48 | C49 | C50 | H55 | 122.1° | 120.0° |
| C48 | C49 | C50 | C51 | 176.5° | 180.0° |
| C49 | C48 | H26 | H27 | 118.7° | 120.0° |
| C48 | C49 | H28 | H55 | 112.9° | 120.0° |
| C48 | C49 | C50 | H29 | 54.6° | 60.1° |
| C48 | C49 | C50 | H56 | 61.6° | 60.0° |
| O64 | C42 | C41 | N43 | 179.6° | 179.9° |
| O64 | C42 | C41 | C40 | 47.5° | 0.0° |
| O64 | C42 | N43 | C44 | 0.9° | 0.1° |
| O64 | C42 | C41 | H20 | 167.3° | 120.0° |
| O64 | C42 | C41 | H21 | 72.4° | 119.9° |
| O64 | C42 | N43 | H46 | 179.1° | 180.0° |
| C42 | C41 | C40 | H20 | 119.8° | 120.0° |
| C42 | C41 | C40 | H21 | 119.8° | 120.0° |
| C41 | C42 | N43 | C44 | 179.6° | 180.0° |
| C42 | C41 | C40 | N39 | 72.8° | 180.0° |
| C42 | C41 | C40 | H18 | 168.6° | 60.0° |
| C42 | C41 | C40 | H19 | 45.8° | 60.0° |
| C42 | C41 | H20 | H21 | 120.5° | 120.1° |
| C41 | C42 | N43 | H46 | 0.4° | 0.0° |
| C40 | C41 | C42 | N43 | 132.1° | 180.0° |
| C41 | C40 | N39 | H18 | 118.6° | 120.0° |
| C41 | C40 | N39 | H19 | 118.6° | 120.0° |
| C41 | C40 | N39 | C38 | 143.9° | 180.0° |
| C41 | C40 | H18 | H19 | 124.0° | 119.9° |
| C40 | C41 | H20 | H21 | 120.4° | 120.0° |
| C41 | C40 | N39 | H45 | 36.1° | 0.0° |
| C42 | N43 | C44 | H46 | 180.0° | 179.9° |
| N43 | C42 | C41 | H20 | 12.2° | 60.0° |
| N43 | C42 | C41 | H21 | 108.1° | 60.0° |
| C42 | N43 | C44 | H22 | 42.3° | 60.0° |
| C42 | N43 | C44 | H23 | 161.2° | 60.0° |
| N43 | C44 | H22 | H23 | 118.4° | 120.0° |
| N43 | C44 | C45 | H24 | 7.2° | 60.0° |
| N43 | C44 | C45 | H25 | 112.0° | 60.0° |
| C40 | N39 | C38 | H45 | 180.0° | 180.0° |
| C40 | N39 | C38 | O65 | 2.4° | 4.3° |
| C40 | N39 | C38 | C02 | 177.9° | 175.7° |
| N39 | C40 | H18 | H19 | 124.0° | 120.1° |
| N39 | C40 | C41 | H20 | 47.0° | 60.0° |
| N39 | C40 | C41 | H21 | 167.3° | 60.0° |
| C49 | C50 | C51 | H29 | 121.9° | 119.9° |
| C49 | C50 | C51 | H56 | 121.9° | 120.0° |
| C49 | C50 | C51 | C52 | 178.6° | 180.0° |
| C50 | C49 | C48 | H26 | 62.6° | 60.0° |
| C50 | C49 | C48 | H27 | 56.6° | 60.0° |
| C50 | C49 | H28 | H55 | 112.9° | 120.1° |
| C49 | C50 | H29 | H56 | 113.7° | 120.1° |
| C49 | C50 | C51 | H30 | 60.9° | 60.1° |
| C49 | C50 | C51 | H31 | 58.1° | 59.9° |
| C50 | C51 | C52 | H30 | 120.6° | 119.9° |
| C50 | C51 | C52 | H31 | 120.5° | 120.0° |
| C50 | C51 | C52 | C53 | 80.7° | 180.0° |
| C51 | C50 | C49 | H28 | 61.4° | 60.1° |
| C51 | C50 | H29 | H56 | 113.7° | 120.0° |
| C50 | C51 | H30 | H31 | 118.3° | 120.0° |
| C50 | C51 | C52 | H32 | 41.3° | 60.1° |
| C51 | C50 | C49 | H55 | 54.3° | 60.0° |
| C50 | C51 | C52 | H57 | 157.2° | 60.0° |
| N26 | C25 | N24 | C20 | 179.9° | 180.0° |
| N26 | C25 | N24 | C23 | 179.9° | 179.9° |
| N26 | C25 | C20 | N19 | 0.4° | 0.1° |
| N26 | C25 | C20 | C21 | 179.6° | 179.7° |
| C25 | N26 | H43 | H44 | 120.0° | 180.0° |
| N39 | C38 | O65 | C02 | 179.6° | 180.0° |
| N39 | C38 | C02 | C03 | 123.0° | 72.6° |
| N39 | C38 | C02 | O01 | 104.6° | 167.4° |
| N39 | C38 | C02 | H1 | 9.4° | 47.4° |
| C38 | N39 | C40 | H18 | 97.5° | 60.0° |
| C38 | N39 | C40 | H19 | 25.3° | 60.0° |
| N24 | C25 | C20 | N19 | 179.7° | 179.9° |
| N24 | C25 | C20 | C21 | 0.3° | 0.3° |
| C25 | N24 | C23 | N22 | 0.1° | 0.1° |
| C25 | N24 | C23 | H14 | 179.9° | 180.0° |
| N24 | C25 | N26 | H43 | 0.0° | 0.0° |
| N24 | C25 | N26 | H44 | 120.0° | 180.0° |
| C20 | C25 | N24 | C23 | 0.0° | 0.1° |
| C25 | C20 | N19 | C21 | 179.9° | 179.7° |
| C25 | C20 | N19 | C18 | 179.6° | 180.0° |
| C25 | C20 | C21 | N22 | 0.6° | 0.3° |
| C25 | C20 | C21 | N17 | 179.5° | 179.8° |
| C20 | C25 | N26 | H43 | 179.9° | 180.0° |
| C20 | C25 | N26 | H44 | 59.9° | 0.0° |
| C51 | C52 | C53 | H32 | 122.1° | 120.0° |
| C51 | C52 | C53 | H57 | 122.0° | 120.1° |
| C51 | C52 | C53 | C54 | 171.0° | 180.0° |
| C52 | C51 | C50 | H29 | 56.7° | 60.1° |
| C52 | C51 | H30 | H31 | 118.3° | 120.1° |
| C51 | C52 | H32 | H57 | 113.3° | 120.1° |
| C51 | C52 | C53 | H33 | 48.9° | 60.1° |
| C52 | C51 | C50 | H56 | 59.5° | 60.0° |
| C51 | C52 | C53 | H58 | 66.9° | 59.9° |
| N24 | C23 | N22 | H14 | 180.0° | 179.8° |
| N24 | C23 | N22 | C21 | 0.1° | 0.2° |
| O65 | C38 | C02 | C03 | 57.3° | 107.4° |
| O65 | C38 | C02 | O01 | 75.1° | 12.6° |
| O65 | C38 | C02 | H1 | 170.9° | 132.6° |
| O65 | C38 | N39 | H45 | 177.6° | 175.7° |
| C38 | C02 | C03 | O01 | 131.1° | 120.0° |
| C38 | C02 | C03 | H1 | 113.6° | 120.0° |
| C38 | C02 | O01 | H1 | 113.5° | 120.0° |
| C38 | C02 | C03 | C37 | 114.8° | 65.6° |
| C38 | C02 | C03 | C04 | 3.3° | 174.5° |
| C38 | C02 | C03 | C05 | 118.6° | 54.5° |
| C02 | C38 | N39 | H45 | 2.1° | 4.3° |
| C38 | C02 | O01 | H49 | 168.5° | 60.0° |
| C52 | C53 | C54 | H33 | 122.1° | 119.9° |
| C52 | C53 | C54 | H58 | 122.1° | 120.1° |
| C52 | C53 | C54 | C55 | 161.3° | 180.0° |
| C53 | C52 | C51 | H30 | 158.7° | 60.1° |
| C53 | C52 | C51 | H31 | 39.8° | 59.9° |
| C53 | C52 | H32 | H57 | 113.3° | 120.0° |
| C52 | C53 | H33 | H58 | 113.0° | 120.0° |
| C52 | C53 | C54 | H34 | 40.7° | 60.0° |
| C52 | C53 | C54 | H35 | 78.1° | 59.9° |
| C53 | C54 | C55 | H34 | 120.6° | 120.0° |
| C53 | C54 | C55 | H35 | 120.6° | 120.0° |
| C53 | C54 | C55 | C56 | 91.5° | 180.0° |
| C54 | C53 | C52 | H32 | 67.0° | 60.0° |
| C54 | C53 | H33 | H58 | 113.0° | 120.0° |
| C53 | C54 | H34 | H35 | 118.2° | 120.0° |
| C53 | C54 | C55 | H36 | 28.6° | 60.0° |
| C53 | C54 | C55 | H37 | 148.4° | 60.0° |
| C54 | C53 | C52 | H57 | 49.0° | 59.9° |
| C54 | C55 | C56 | H36 | 120.1° | 120.0° |
| C54 | C55 | C56 | H37 | 120.1° | 120.1° |
| C54 | C55 | C56 | C59 | 168.9° | 174.4° |
| C54 | C55 | C56 | N58 | 45.1° | 34.4° |
| C54 | C55 | C56 | N57 | 11.5° | 23.2° |
| C55 | C54 | C53 | H33 | 76.6° | 60.0° |
| C55 | C54 | H34 | H35 | 118.2° | 120.0° |
| C54 | C55 | H36 | H37 | 119.7° | 120.1° |
| C55 | C54 | C53 | H58 | 39.2° | 60.0° |
| C55 | C56 | C59 | N58 | 146.4° | 151.2° |
| C55 | C56 | C59 | N57 | 157.4° | 151.2° |
| C55 | C56 | C59 | C60 | 93.1° | 180.0° |
| C55 | C56 | N58 | N57 | 106.0° | 104.7° |
| C56 | C55 | C54 | H34 | 147.9° | 60.0° |
| C56 | C55 | C54 | H35 | 29.1° | 60.0° |
| C56 | C55 | H36 | H37 | 119.8° | 119.9° |
| C55 | C56 | C59 | H38 | 147.1° | 60.0° |
| C55 | C56 | C59 | H39 | 26.7° | 60.0° |
| C56 | C59 | C60 | H38 | 119.8° | 120.0° |
| C56 | C59 | C60 | H39 | 119.8° | 120.0° |
| C59 | C56 | N58 | N57 | 106.9° | 104.8° |
| C56 | C59 | C60 | C61 | 177.4° | 180.0° |
| C59 | C56 | C55 | H36 | 71.0° | 65.6° |
| C59 | C56 | C55 | H37 | 48.8° | 54.4° |
| C56 | C59 | H38 | H39 | 120.6° | 120.0° |
| C56 | C59 | C60 | H40 | 57.1° | 60.0° |
| C56 | C59 | C60 | H41 | 62.3° | 60.0° |
| C60 | C59 | C56 | N58 | 120.5° | 28.8° |
| C60 | C59 | C56 | N57 | 64.3° | 28.8° |
| C59 | C60 | C61 | C62 | 173.9° | 148.4° |
| C59 | C60 | C61 | H40 | 120.3° | 120.0° |
| C59 | C60 | C61 | H41 | 120.3° | 120.0° |
| C60 | C59 | H38 | H39 | 120.7° | 120.0° |
| C59 | C60 | H40 | H41 | 119.1° | 120.0° |
| N58 | C56 | C55 | H36 | 75.0° | 85.7° |
| N58 | C56 | C55 | H37 | 165.2° | 154.4° |
| N58 | C56 | C59 | H38 | 0.7° | 91.2° |
| N58 | C56 | C59 | H39 | 119.7° | 148.8° |
| N57 | C56 | C55 | H36 | 131.6° | 143.2° |
| N57 | C56 | C55 | H37 | 108.6° | 96.8° |
| N57 | C56 | C59 | H38 | 55.5° | 148.8° |
| N57 | C56 | C59 | H39 | 175.9° | 91.2° |
| N19 | C20 | C21 | N22 | 179.4° | 180.0° |
| N19 | C20 | C21 | N17 | 0.4° | 0.4° |
| C20 | N19 | C18 | N17 | 0.0° | 0.0° |
| C20 | N19 | C18 | H13 | 179.9° | 179.7° |
| C20 | C21 | N22 | C23 | 0.5° | 0.1° |
| C21 | C20 | N19 | C18 | 0.3° | 0.3° |
| C20 | C21 | N22 | N17 | 179.8° | 179.4° |
| C20 | C21 | N17 | C18 | 0.4° | 0.4° |
| C20 | C21 | N17 | C15 | 178.3° | 179.6° |
| C23 | N22 | C21 | N17 | 179.7° | 179.4° |
| C03 | C02 | O01 | H1 | 114.5° | 120.0° |
| C02 | C03 | C37 | C04 | 123.9° | 120.0° |
| C02 | C03 | C37 | C05 | 123.7° | 120.0° |
| C02 | C03 | C04 | C05 | 120.9° | 120.0° |
| C02 | C03 | C05 | O06 | 83.5° | 180.0° |
| C02 | C03 | C04 | H2 | 180.0° | 66.4° |
| C02 | C03 | C04 | H3 | 60.0° | 173.7° |
| C02 | C03 | C04 | H4 | 60.0° | 53.6° |
| C02 | C03 | C05 | H5 | 37.1° | 60.0° |
| C02 | C03 | C05 | H6 | 155.9° | 60.0° |
| C02 | C03 | C37 | H15 | 180.0° | 53.4° |
| C02 | C03 | C37 | H16 | 60.0° | 173.4° |
| C02 | C03 | C37 | H17 | 60.0° | 66.6° |
| C03 | C02 | O01 | H49 | 36.5° | 60.0° |
| O01 | C02 | C03 | C37 | 114.1° | 174.5° |
| O01 | C02 | C03 | C04 | 127.8° | 54.5° |
| O01 | C02 | C03 | C05 | 12.5° | 65.5° |
| C62 | C61 | C60 | H40 | 65.8° | 28.4° |
| C62 | C61 | C60 | H41 | 53.6° | 91.6° |
| N19 | C18 | N17 | C21 | 0.2° | 0.2° |
| N19 | C18 | N17 | H13 | 180.0° | 179.8° |
| N19 | C18 | N17 | C15 | 178.1° | 179.8° |
| C37 | C03 | C04 | C05 | 122.1° | 120.0° |
| C37 | C03 | C05 | O06 | 36.9° | 59.9° |
| C37 | C03 | C02 | H1 | 1.2° | 54.5° |
| C37 | C03 | C04 | H2 | 62.9° | 173.6° |
| C37 | C03 | C04 | H3 | 177.0° | 53.6° |
| C37 | C03 | C04 | H4 | 57.0° | 66.4° |
| C37 | C03 | C05 | H5 | 157.5° | 180.0° |
| C37 | C03 | C05 | H6 | 83.7° | 60.0° |
| C03 | C37 | H15 | H16 | 120.0° | 120.0° |
| C03 | C37 | H15 | H17 | 120.0° | 120.0° |
| C03 | C37 | H16 | H17 | 120.0° | 120.0° |
| C04 | C03 | C05 | O06 | 152.6° | 60.0° |
| C04 | C03 | C02 | H1 | 116.9° | 65.5° |
| C03 | C04 | H2 | H3 | 120.0° | 120.0° |
| C03 | C04 | H2 | H4 | 120.0° | 120.0° |
| C03 | C04 | H3 | H4 | 120.0° | 120.0° |
| C04 | C03 | C05 | H5 | 86.9° | 60.0° |
| C04 | C03 | C05 | H6 | 32.0° | 180.0° |
| C04 | C03 | C37 | H15 | 56.1° | 66.6° |
| C04 | C03 | C37 | H16 | 63.9° | 53.4° |
| C04 | C03 | C37 | H17 | 176.1° | 173.4° |
| C61 | C60 | C59 | H38 | 62.7° | 60.0° |
| C61 | C60 | C59 | H39 | 57.7° | 60.0° |
| C61 | C60 | H40 | H41 | 119.1° | 120.0° |
| C60 | C61 | C62 | H42 | 12.8° | 86.3° |
| C03 | C05 | O06 | H5 | 120.6° | 120.0° |
| C03 | C05 | O06 | H6 | 120.6° | 120.0° |
| C03 | C05 | O06 | P07 | 130.8° | 180.0° |
| C05 | C03 | C02 | H1 | 127.8° | 174.5° |
| C05 | C03 | C04 | H2 | 59.1° | 53.6° |
| C05 | C03 | C04 | H3 | 60.9° | 66.3° |
| C05 | C03 | C04 | H4 | 179.1° | 173.7° |
| C03 | C05 | H5 | H6 | 118.2° | 120.0° |
| C05 | C03 | C37 | H15 | 56.3° | 173.4° |
| C05 | C03 | C37 | H16 | 176.3° | 66.5° |
| C05 | C03 | C37 | H17 | 63.7° | 53.5° |
| N22 | C21 | N17 | C18 | 179.5° | 179.8° |
| N22 | C21 | N17 | C15 | 1.6° | 0.2° |
| C21 | N22 | C23 | H14 | 179.9° | 180.0° |
| C21 | N17 | C18 | C15 | 177.9° | 180.0° |
| C21 | N17 | C15 | C14 | 141.7° | 85.0° |
| C21 | N17 | C15 | O16 | 103.3° | 159.5° |
| C21 | N17 | C15 | H12 | 21.8° | 37.3° |
| C21 | N17 | C18 | H13 | 179.8° | 180.0° |
| C18 | N17 | C15 | C14 | 35.8° | 95.0° |
| C18 | N17 | C15 | O16 | 79.2° | 20.5° |
| C18 | N17 | C15 | H12 | 155.6° | 142.7° |
| N17 | C15 | C14 | O27 | 76.1° | 98.5° |
| N17 | C15 | C14 | O16 | 121.5° | 118.9° |
| N17 | C15 | C14 | H12 | 120.5° | 122.3° |
| N17 | C15 | O16 | H12 | 124.7° | 122.2° |
| N17 | C15 | C14 | C13 | 165.6° | 142.8° |
| N17 | C15 | O16 | C12 | 144.6° | 159.2° |
| N17 | C15 | C14 | H11 | 49.0° | 24.1° |
| C15 | N17 | C18 | H13 | 1.9° | 0.0° |
| C05 | O06 | P07 | O35 | 93.1° | 55.0° |
| C05 | O06 | P07 | O36 | 28.9° | 65.1° |
| C05 | O06 | P07 | O08 | 154.9° | 175.0° |
| O06 | C05 | H5 | H6 | 118.2° | 119.9° |
| O06 | P07 | O35 | O36 | 123.4° | 120.1° |
| O06 | P07 | O35 | O08 | 114.0° | 120.0° |
| O06 | P07 | O36 | O08 | 122.3° | 120.0° |
| O06 | P07 | O08 | P09 | 83.3° | 165.0° |
| P07 | O06 | C05 | H5 | 10.3° | 60.0° |
| P07 | O06 | C05 | H6 | 108.6° | 60.0° |
| O06 | P07 | O36 | H54 | 121.0° | 59.9° |
| O35 | P07 | O36 | O08 | 116.7° | 119.9° |
| O35 | P07 | O08 | P09 | 161.8° | 45.0° |
| O35 | P07 | O36 | H54 | 0.0° | 180.0° |
| O27 | C14 | C15 | C13 | 118.3° | 118.7° |
| O27 | C14 | C15 | H11 | 125.1° | 122.6° |
| O27 | C14 | C15 | O16 | 162.4° | 142.6° |
| O27 | C14 | C13 | H11 | 129.2° | 122.5° |
| O27 | C14 | C13 | C12 | 158.4° | 118.8° |
| O27 | C14 | C13 | O28 | 44.3° | 0.2° |
| O27 | C14 | C13 | H10 | 82.9° | 122.5° |
| O27 | C14 | C15 | H12 | 44.4° | 23.9° |
| C14 | C15 | O16 | H12 | 116.8° | 118.9° |
| C15 | C14 | C13 | H11 | 116.6° | 118.7° |
| C14 | C15 | O16 | C12 | 26.1° | 40.4° |
| C15 | C14 | C13 | C12 | 44.2° | 0.0° |
| C15 | C14 | C13 | O28 | 69.9° | 118.6° |
| C15 | C14 | C13 | H10 | 162.8° | 118.7° |
| C15 | C14 | O27 | H50 | 122.9° | 65.3° |
| O16 | C15 | C14 | C13 | 44.1° | 23.9° |
| C15 | O16 | C12 | C13 | 3.5° | 40.4° |
| C15 | O16 | C12 | C11 | 121.9° | 159.3° |
| C15 | O16 | C12 | H9 | 120.7° | 78.5° |
| O16 | C15 | C14 | H11 | 72.4° | 94.8° |
| C14 | C13 | C12 | O16 | 31.1° | 23.9° |
| C14 | C13 | C12 | O28 | 114.4° | 118.7° |
| C14 | C13 | C12 | H10 | 118.4° | 118.8° |
| C14 | C13 | O28 | H10 | 126.1° | 122.8° |
| C14 | C13 | C12 | C11 | 89.0° | 142.8° |
| C14 | C13 | O28 | P29 | 105.4° | 125.4° |
| C14 | C13 | C12 | H9 | 149.3° | 94.9° |
| C13 | C14 | C15 | H12 | 73.9° | 94.9° |
| C13 | C14 | O27 | H50 | 14.9° | 179.9° |
| O36 | P07 | O08 | P09 | 41.8° | 75.0° |
| P07 | O08 | P09 | O10 | 120.9° | 165.0° |
| P07 | O08 | P09 | O33 | 1.3° | 45.0° |
| P07 | O08 | P09 | O34 | 119.9° | 75.0° |
| O08 | P07 | O36 | H54 | 116.7° | 60.1° |
| O16 | C12 | C13 | C11 | 120.1° | 118.9° |
| O16 | C12 | C13 | H9 | 118.2° | 118.9° |
| O16 | C12 | C13 | O28 | 83.3° | 142.6° |
| O16 | C12 | C11 | H9 | 118.4° | 122.2° |
| O16 | C12 | C11 | O10 | 68.4° | 67.9° |
| O16 | C12 | C11 | H7 | 172.0° | 172.1° |
| O16 | C12 | C11 | H8 | 51.2° | 52.0° |
| O16 | C12 | C13 | H10 | 149.5° | 94.9° |
| C12 | O16 | C15 | H12 | 90.7° | 78.5° |
| O08 | P09 | O10 | C11 | 41.9° | 175.0° |
| O08 | P09 | O10 | O33 | 123.5° | 120.0° |
| O08 | P09 | O10 | O34 | 117.2° | 120.0° |
| O08 | P09 | O33 | O34 | 120.2° | 120.0° |
| O08 | P09 | O34 | H53 | 124.2° | 60.0° |
| C12 | C13 | O28 | H10 | 126.3° | 122.5° |
| C13 | C12 | C11 | H9 | 121.8° | 122.3° |
| C12 | C13 | O28 | P29 | 147.0° | 120.0° |
| C13 | C12 | C11 | O10 | 171.8° | 176.6° |
| C13 | C12 | C11 | H7 | 52.2° | 56.6° |
| C13 | C12 | C11 | H8 | 68.7° | 63.5° |
| C12 | C13 | C14 | H11 | 72.4° | 118.7° |
| O28 | C13 | C12 | C11 | 156.5° | 98.5° |
| C13 | O28 | P29 | O31 | 56.4° | 55.0° |
| C13 | O28 | P29 | O32 | 174.2° | 65.0° |
| C13 | O28 | P29 | O30 | 64.0° | 175.0° |
| O28 | C13 | C12 | H9 | 34.9° | 23.7° |
| O28 | C13 | C14 | H11 | 173.5° | 122.7° |
| C12 | C11 | O10 | H7 | 119.6° | 120.1° |
| C12 | C11 | O10 | H8 | 119.6° | 120.0° |
| C12 | C11 | O10 | P09 | 171.7° | 180.0° |
| C12 | C11 | H7 | H8 | 121.2° | 120.0° |
| C11 | C12 | C13 | H10 | 29.3° | 24.0° |
| O31 | P29 | O28 | O32 | 117.9° | 120.0° |
| O31 | P29 | O28 | O30 | 120.3° | 120.0° |
| O31 | P29 | O32 | O30 | 120.3° | 119.9° |
| O31 | P29 | O30 | H51 | 0.0° | 60.0° |
| O31 | P29 | O32 | H52 | 0.0° | 180.0° |
| O28 | P29 | O32 | O30 | 120.3° | 120.1° |
| P29 | O28 | C13 | H10 | 20.8° | 2.6° |
| O28 | P29 | O30 | H51 | 120.7° | 180.0° |
| O28 | P29 | O32 | H52 | 119.4° | 60.0° |
| C11 | O10 | P09 | O33 | 165.4° | 55.0° |
| C11 | O10 | P09 | O34 | 75.3° | 65.1° |
| O10 | C11 | H7 | H8 | 121.2° | 119.9° |
| O10 | C11 | C12 | H9 | 50.0° | 54.3° |
| O10 | P09 | O33 | O34 | 120.1° | 120.0° |
| P09 | O10 | C11 | H7 | 68.7° | 59.9° |
| P09 | O10 | C11 | H8 | 52.1° | 60.0° |
| O10 | P09 | O34 | H53 | 118.4° | 59.9° |
| O33 | P09 | O34 | H53 | 0.0° | 179.9° |
| O32 | P29 | O30 | H51 | 119.3° | 59.9° |
| O30 | P29 | O32 | H52 | 120.4° | 60.0° |
| H1 | C02 | O01 | H49 | 78.0° | 180.0° |
| H2 | C04 | H3 | H4 | 120.0° | 120.1° |
| H7 | C11 | C12 | H9 | 69.6° | 65.7° |
| H8 | C11 | C12 | H9 | 169.6° | 174.2° |
| H9 | C12 | C13 | H10 | 92.3° | 146.2° |
| H10 | C13 | C14 | H11 | 46.3° | 0.0° |
| H11 | C14 | C15 | H12 | 169.5° | 146.5° |
| H11 | C14 | O27 | H50 | 113.2° | 57.3° |
| H15 | C37 | H16 | H17 | 120.0° | 120.0° |
| H18 | C40 | C41 | H20 | 71.6° | 60.0° |
| H18 | C40 | C41 | H21 | 48.8° | 180.0° |
| H18 | C40 | N39 | H45 | 82.5° | 120.0° |
| H19 | C40 | C41 | H20 | 165.7° | 180.0° |
| H19 | C40 | C41 | H21 | 74.0° | 60.0° |
| H19 | C40 | N39 | H45 | 154.7° | 120.0° |
| H22 | C44 | C45 | H24 | 127.8° | 60.0° |
| H22 | C44 | C45 | H25 | 8.6° | 180.0° |
| H22 | C44 | N43 | H46 | 137.7° | 120.0° |
| H23 | C44 | C45 | H24 | 113.3° | 180.0° |
| H23 | C44 | C45 | H25 | 127.5° | 60.0° |
| H23 | C44 | N43 | H46 | 18.7° | 120.0° |
| H26 | C48 | C49 | H28 | 175.3° | 180.0° |
| H26 | C48 | C49 | H55 | 59.5° | 60.0° |
| H27 | C48 | C49 | H28 | 65.5° | 60.0° |
| H27 | C48 | C49 | H55 | 178.8° | 180.0° |
| H28 | C49 | C50 | H29 | 176.7° | 180.0° |
| H28 | C49 | C50 | H56 | 60.5° | 59.9° |
| H29 | C50 | C51 | H30 | 177.2° | 180.0° |
| H29 | C50 | C51 | H31 | 63.9° | 60.0° |
| H29 | C50 | C49 | H55 | 67.6° | 59.9° |
| H30 | C51 | C52 | H32 | 79.3° | 180.0° |
| H30 | C51 | C50 | H56 | 61.0° | 59.9° |
| H30 | C51 | C52 | H57 | 36.7° | 60.0° |
| H31 | C51 | C52 | H32 | 161.8° | 60.0° |
| H31 | C51 | C50 | H56 | 180.0° | 180.0° |
| H31 | C51 | C52 | H57 | 82.2° | 180.0° |
| H32 | C52 | C53 | H33 | 170.9° | 179.9° |
| H32 | C52 | C53 | H58 | 55.1° | 60.1° |
| H33 | C53 | C54 | H34 | 162.8° | 179.9° |
| H33 | C53 | C54 | H35 | 44.0° | 60.0° |
| H33 | C53 | C52 | H57 | 73.1° | 60.0° |
| H34 | C54 | C55 | H36 | 92.0° | 179.9° |
| H34 | C54 | C55 | H37 | 27.8° | 60.0° |
| H34 | C54 | C53 | H58 | 81.4° | 60.1° |
| H35 | C54 | C55 | H36 | 149.1° | 60.0° |
| H35 | C54 | C55 | H37 | 91.1° | 180.0° |
| H35 | C54 | C53 | H58 | 159.8° | 180.0° |
| H38 | C59 | C60 | H40 | 176.9° | 180.0° |
| H38 | C59 | C60 | H41 | 57.5° | 60.0° |
| H39 | C59 | C60 | H40 | 62.6° | 60.0° |
| H39 | C59 | C60 | H41 | 177.9° | 180.0° |
| H55 | C49 | C50 | H56 | 176.2° | 179.9° |
| H57 | C52 | C53 | H58 | 171.1° | 180.0° |
