1CR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | C01 | sing | 1.51Å | 1.51Å | |
| C01 | C21 | sing | 1.51Å | 1.57Å | |
| C01 | H01 | sing | 1.09Å | 1.10Å | |
| C01 | H01A | sing | 1.09Å | 1.10Å | |
| C03 | C02 | doub | 1.38Å | 1.51Å | Aromatic |
| C02 | C07 | sing | 1.38Å | 1.54Å | Aromatic |
| C04 | C03 | sing | 1.39Å | 1.45Å | Aromatic |
| C03 | H03 | sing | 1.08Å | 1.08Å | |
| O01 | C04 | sing | 1.36Å | 1.45Å | |
| C04 | C05 | doub | 1.39Å | 1.50Å | Aromatic |
| O02 | C05 | sing | 1.36Å | 1.48Å | |
| C05 | C06 | sing | 1.39Å | 1.50Å | Aromatic |
| C06 | C07 | doub | 1.38Å | 1.45Å | Aromatic |
| C06 | H06 | sing | 1.08Å | 1.08Å | |
| C07 | C08 | sing | 1.51Å | 1.57Å | |
| C08 | C09 | sing | 1.51Å | 1.51Å | |
| C08 | H08 | sing | 1.09Å | 1.10Å | |
| C08 | H08A | sing | 1.09Å | 1.10Å | |
| C09 | C14 | doub | 1.38Å | 1.51Å | Aromatic |
| C09 | C10 | sing | 1.38Å | 1.51Å | Aromatic |
| C10 | C11 | doub | 1.39Å | 1.49Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | C12 | sing | 1.39Å | 1.49Å | Aromatic |
| C11 | O04 | sing | 1.36Å | 1.46Å | |
| C13 | C12 | doub | 1.39Å | 1.48Å | Aromatic |
| C12 | O05 | sing | 1.36Å | 1.44Å | |
| C14 | C13 | sing | 1.38Å | 1.50Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | C14 | sing | 1.51Å | 1.60Å | |
| C16 | C15 | sing | 1.51Å | 1.58Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C21 | C16 | doub | 1.38Å | 1.52Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.45Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.43Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C19 | C18 | sing | 1.39Å | 1.49Å | Aromatic |
| C18 | O07 | sing | 1.36Å | 1.41Å | |
| C20 | C19 | doub | 1.39Å | 1.47Å | Aromatic |
| O08 | C19 | sing | 1.36Å | 1.45Å | |
| C20 | C21 | sing | 1.38Å | 1.51Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C23 | C22 | sing | 1.51Å | 1.52Å | |
| C22 | C42 | sing | 1.51Å | 1.56Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C28 | C23 | doub | 1.38Å | 1.49Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.49Å | Aromatic |
| C25 | C24 | doub | 1.39Å | 1.45Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C26 | C25 | sing | 1.39Å | 1.53Å | Aromatic |
| O09 | C25 | sing | 1.36Å | 1.41Å | |
| O10 | C26 | sing | 1.36Å | 1.46Å | |
| C26 | C27 | doub | 1.38Å | 1.48Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.51Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | C29 | sing | 1.51Å | 1.64Å | |
| C29 | C30 | sing | 1.51Å | 1.65Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C31 | C30 | doub | 1.38Å | 1.53Å | Aromatic |
| C30 | C35 | sing | 1.38Å | 1.52Å | Aromatic |
| C31 | C32 | sing | 1.39Å | 1.45Å | Aromatic |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| O03 | C32 | sing | 1.36Å | 1.42Å | |
| C32 | C33 | doub | 1.39Å | 1.48Å | Aromatic |
| O11 | C33 | sing | 1.36Å | 1.46Å | |
| C33 | C34 | sing | 1.39Å | 1.47Å | Aromatic |
| C35 | C34 | doub | 1.38Å | 1.54Å | Aromatic |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C35 | C36 | sing | 1.51Å | 1.61Å | |
| C36 | C37 | sing | 1.51Å | 1.53Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C36 | H36A | sing | 1.09Å | 1.10Å | |
| C42 | C37 | doub | 1.38Å | 1.51Å | Aromatic |
| C37 | C38 | sing | 1.38Å | 1.52Å | Aromatic |
| C38 | C39 | doub | 1.38Å | 1.43Å | Aromatic |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| C40 | C39 | sing | 1.39Å | 1.49Å | Aromatic |
| C39 | O06 | sing | 1.36Å | 1.47Å | |
| C41 | C40 | doub | 1.39Å | 1.48Å | Aromatic |
| C40 | O12 | sing | 1.36Å | 1.39Å | |
| C42 | C41 | sing | 1.38Å | 1.43Å | Aromatic |
| C41 | H41 | sing | 1.08Å | 1.08Å | |
| O04 | C46 | sing | 1.43Å | 1.34Å | |
| C46 | H46 | sing | 1.09Å | 1.10Å | |
| C46 | H46A | sing | 1.09Å | 1.10Å | |
| C46 | H46B | sing | 1.09Å | 1.10Å | |
| C51 | C47 | sing | 1.53Å | 1.47Å | |
| C47 | O06 | sing | 1.43Å | 1.43Å | |
| C47 | H47 | sing | 1.09Å | 1.10Å | |
| C47 | H47A | sing | 1.09Å | 1.10Å | |
| O05 | C51 | sing | 1.43Å | 1.38Å | |
| C51 | H51 | sing | 1.09Å | 1.10Å | |
| C51 | H51A | sing | 1.09Å | 1.10Å | |
| C60 | C52 | sing | 1.53Å | 1.42Å | |
| O08 | C52 | sing | 1.43Å | 1.42Å | |
| C52 | H52 | sing | 1.09Å | 1.10Å | |
| C52 | H52A | sing | 1.09Å | 1.10Å | |
| C58 | C56 | sing | 1.53Å | 1.47Å | |
| C56 | O03 | sing | 1.44Å | 1.32Å | |
| C56 | H56 | sing | 1.09Å | 1.10Å | |
| C56 | H56A | sing | 1.09Å | 1.10Å | |
| C57 | O01 | sing | 1.43Å | 1.59Å | |
| C57 | H57 | sing | 1.09Å | 1.10Å | |
| C57 | H57A | sing | 1.09Å | 1.10Å | |
| C57 | H57B | sing | 1.09Å | 1.10Å | |
| O02 | C58 | sing | 1.43Å | 1.39Å | |
| C58 | H58 | sing | 1.09Å | 1.10Å | |
| C58 | H58A | sing | 1.09Å | 1.10Å | |
| O07 | C59 | sing | 1.43Å | 1.43Å | |
| C59 | H59 | sing | 1.09Å | 1.10Å | |
| C59 | H59A | sing | 1.09Å | 1.10Å | |
| C59 | H59B | sing | 1.09Å | 1.10Å | |
| C60 | O09 | sing | 1.43Å | 1.40Å | |
| C60 | H60 | sing | 1.09Å | 1.10Å | |
| C60 | H60A | sing | 1.09Å | 1.10Å | |
| C70 | O10 | sing | 1.43Å | 1.24Å | |
| O11 | CT5 | sing | 1.43Å | 1.50Å | |
| CT3 | O12 | sing | 1.43Å | 1.49Å | |
| S1 | C61 | sing | 1.76Å | 1.74Å | |
| C62 | C61 | doub | 1.38Å | 1.58Å | Aromatic |
| C61 | C67 | sing | 1.38Å | 1.59Å | Aromatic |
| C62 | C64 | sing | 1.38Å | 1.58Å | Aromatic |
| C62 | H62 | sing | 1.08Å | 1.08Å | |
| C64 | C65 | doub | 1.38Å | 1.61Å | Aromatic |
| C64 | H64 | sing | 1.08Å | 1.08Å | |
| C65 | C66 | sing | 1.38Å | 1.54Å | Aromatic |
| C65 | C68 | sing | 1.51Å | 1.50Å | |
| C67 | C66 | doub | 1.38Å | 1.57Å | Aromatic |
| C66 | H66 | sing | 1.08Å | 1.08Å | |
| C67 | H67 | sing | 1.08Å | 1.08Å | |
| C68 | C69 | sing | 1.53Å | 1.54Å | |
| C68 | H68 | sing | 1.09Å | 1.10Å | |
| C68 | H68A | sing | 1.09Å | 1.10Å | |
| C69 | N4 | sing | 1.47Å | 1.43Å | |
| C69 | H69 | sing | 1.09Å | 1.10Å | |
| C69 | H69A | sing | 1.09Å | 1.10Å | |
| N1 | S1 | sing | 1.66Å | 1.65Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| N1 | HN1A | sing | 0.97Å | 1.00Å | |
| S1 | O13 | doub | 1.42Å | 1.50Å | |
| S1 | O14 | doub | 1.42Å | 1.52Å | |
| C71 | C70 | sing | 1.51Å | 1.40Å | |
| C70 | H70 | sing | 1.09Å | 1.10Å | |
| C70 | H70A | sing | 1.09Å | 1.10Å | |
| C72 | C71 | doub | 1.35Å | 1.38Å | Aromatic |
| N2 | C71 | sing | 1.34Å | 1.40Å | Aromatic |
| N4 | C72 | sing | 1.35Å | 1.29Å | Aromatic |
| C72 | H72 | sing | 1.08Å | 1.08Å | |
| N3 | N2 | doub | 1.29Å | 1.36Å | Aromatic |
| N4 | N3 | sing | 1.29Å | 1.37Å | Aromatic |
| CN5 | CT5 | sing | 1.51Å | 1.52Å | |
| CT5 | HT5 | sing | 1.09Å | 1.10Å | |
| CT5 | HT5A | sing | 1.09Å | 1.10Å | |
| NN7 | CN5 | sing | 1.34Å | 1.37Å | Aromatic |
| CN5 | CN6 | doub | 1.35Å | 1.40Å | Aromatic |
| NN9 | CN6 | sing | 1.35Å | 1.33Å | Aromatic |
| CN6 | HN6 | sing | 1.08Å | 1.08Å | |
| NN8 | NN7 | doub | 1.29Å | 1.37Å | Aromatic |
| NN8 | NN9 | sing | 1.29Å | 1.42Å | Aromatic |
| CI5 | NN9 | sing | 1.46Å | 1.49Å | |
| CI6 | CI5 | sing | 1.53Å | 1.62Å | |
| CI5 | HI5 | sing | 1.09Å | 1.10Å | |
| CI5 | HI5A | sing | 1.09Å | 1.10Å | |
| CO5 | CI6 | sing | 1.51Å | 1.56Å | |
| CI6 | HI6 | sing | 1.09Å | 1.10Å | |
| CI6 | HI6A | sing | 1.09Å | 1.10Å | |
| O51 | CO5 | doub | 1.21Å | 1.23Å | |
| O52 | CO5 | sing | 1.34Å | 1.29Å | |
| O52 | HO52 | sing | 0.97Å | 0.95Å | |
| O32 | CO3 | doub | 1.21Å | 1.33Å | |
| CO3 | CI4 | sing | 1.51Å | 1.53Å | |
| CO3 | O31 | sing | 1.34Å | 1.26Å | |
| O31 | HO31 | sing | 0.97Å | 0.95Å | |
| CI3 | CI4 | sing | 1.53Å | 1.43Å | |
| CI3 | NN6 | sing | 1.47Å | 1.68Å | |
| CI3 | HI3 | sing | 1.09Å | 1.10Å | |
| CI3 | HI3A | sing | 1.09Å | 1.10Å | |
| CI4 | HI4 | sing | 1.09Å | 1.10Å | |
| CI4 | HI4A | sing | 1.09Å | 1.10Å | |
| CN3 | NN4 | sing | 1.34Å | 1.38Å | Aromatic |
| NN5 | NN4 | doub | 1.29Å | 1.33Å | Aromatic |
| NN6 | NN5 | sing | 1.29Å | 1.35Å | Aromatic |
| CN4 | NN6 | sing | 1.35Å | 1.40Å | Aromatic |
| CT3 | CN3 | sing | 1.51Å | 1.61Å | |
| CT3 | HT3 | sing | 1.09Å | 1.10Å | |
| CT3 | HT3A | sing | 1.09Å | 1.10Å | |
| CN4 | CN3 | doub | 1.35Å | 1.39Å | Aromatic |
| CN4 | HN4 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C01 | C21 | 116.2° | 109.2° |
| C02 | C01 | H01 | 107.3° | 109.5° |
| C02 | C01 | H01A | 107.3° | 109.5° |
| C01 | C02 | C03 | 115.7° | 119.8° |
| C01 | C02 | C07 | 125.2° | 120.0° |
| C21 | C01 | H01 | 107.3° | 109.5° |
| C21 | C01 | H01A | 107.3° | 109.5° |
| C01 | C21 | C16 | 125.6° | 119.9° |
| C01 | C21 | C20 | 118.1° | 120.0° |
| H01 | C01 | H01A | 111.6° | 109.5° |
| C03 | C02 | C07 | 119.1° | 120.1° |
| C02 | C03 | C04 | 122.0° | 120.0° |
| C02 | C03 | H03 | 119.0° | 120.0° |
| C02 | C07 | C06 | 117.6° | 120.2° |
| C02 | C07 | C08 | 126.7° | 119.9° |
| C04 | C03 | H03 | 119.0° | 120.0° |
| C03 | C04 | O01 | 124.0° | 120.1° |
| C03 | C04 | C05 | 118.6° | 119.8° |
| O01 | C04 | C05 | 117.4° | 120.1° |
| C04 | O01 | C57 | 100.0° | 117.0° |
| C04 | C05 | O02 | 108.4° | 119.9° |
| C04 | C05 | C06 | 119.9° | 119.9° |
| O02 | C05 | C06 | 131.6° | 120.2° |
| C05 | O02 | C58 | 116.2° | 116.8° |
| C05 | C06 | C07 | 122.7° | 120.0° |
| C05 | C06 | H06 | 118.6° | 120.0° |
| C07 | C06 | H06 | 118.6° | 120.0° |
| C06 | C07 | C08 | 115.8° | 119.9° |
| C07 | C08 | C09 | 119.5° | 109.3° |
| C07 | C08 | H08 | 106.3° | 109.5° |
| C07 | C08 | H08A | 106.3° | 109.5° |
| C09 | C08 | H08 | 106.3° | 109.5° |
| C09 | C08 | H08A | 106.3° | 109.5° |
| C08 | C09 | C14 | 122.0° | 120.0° |
| C08 | C09 | C10 | 119.1° | 119.9° |
| H08 | C08 | H08A | 112.5° | 109.5° |
| C14 | C09 | C10 | 118.8° | 120.2° |
| C09 | C14 | C13 | 116.9° | 120.1° |
| C09 | C14 | C15 | 126.0° | 120.0° |
| C09 | C10 | C11 | 123.5° | 120.0° |
| C09 | C10 | H10 | 118.2° | 120.0° |
| C11 | C10 | H10 | 118.2° | 120.0° |
| C10 | C11 | C12 | 116.9° | 119.9° |
| C10 | C11 | O04 | 124.6° | 120.1° |
| C12 | C11 | O04 | 118.5° | 120.1° |
| C11 | C12 | C13 | 120.5° | 119.8° |
| C11 | C12 | O05 | 119.0° | 120.1° |
| C11 | O04 | C46 | 120.6° | 117.0° |
| C13 | C12 | O05 | 120.5° | 120.1° |
| C12 | C13 | C14 | 123.4° | 120.0° |
| C12 | C13 | H13 | 118.3° | 120.0° |
| C12 | O05 | C51 | 111.4° | 117.0° |
| C14 | C13 | H13 | 118.3° | 120.0° |
| C13 | C14 | C15 | 117.1° | 119.9° |
| C14 | C15 | C16 | 109.7° | 109.2° |
| C14 | C15 | H15 | 109.4° | 109.5° |
| C14 | C15 | H15A | 109.4° | 109.5° |
| C16 | C15 | H15 | 109.4° | 109.5° |
| C16 | C15 | H15A | 109.4° | 109.5° |
| C15 | C16 | C21 | 127.3° | 119.9° |
| C15 | C16 | C17 | 114.1° | 119.9° |
| H15 | C15 | H15A | 109.6° | 109.5° |
| C21 | C16 | C17 | 118.6° | 120.1° |
| C16 | C21 | C20 | 116.3° | 120.0° |
| C16 | C17 | C18 | 124.9° | 120.0° |
| C16 | C17 | H17 | 117.5° | 120.0° |
| C18 | C17 | H17 | 117.6° | 120.0° |
| C17 | C18 | C19 | 119.0° | 119.9° |
| C17 | C18 | O07 | 114.5° | 120.1° |
| C19 | C18 | O07 | 126.6° | 120.0° |
| C18 | C19 | C20 | 118.5° | 119.8° |
| C18 | C19 | O08 | 126.2° | 120.1° |
| C18 | O07 | C59 | 119.3° | 117.0° |
| C20 | C19 | O08 | 115.3° | 120.1° |
| C19 | C20 | C21 | 122.7° | 120.1° |
| C19 | C20 | H20 | 118.7° | 120.0° |
| C19 | O08 | C52 | 106.8° | 116.9° |
| C21 | C20 | H20 | 118.6° | 120.0° |
| C23 | C22 | C42 | 117.9° | 109.3° |
| C23 | C22 | H22 | 106.8° | 109.5° |
| C23 | C22 | H22A | 106.8° | 109.5° |
| C22 | C23 | C28 | 125.4° | 119.9° |
| C22 | C23 | C24 | 115.2° | 120.0° |
| C42 | C22 | H22 | 106.7° | 109.5° |
| C42 | C22 | H22A | 106.8° | 109.5° |
| C22 | C42 | C37 | 127.6° | 120.0° |
| C22 | C42 | C41 | 113.9° | 119.9° |
| H22 | C22 | H22A | 112.0° | 109.5° |
| C28 | C23 | C24 | 119.3° | 120.1° |
| C23 | C28 | C27 | 116.6° | 120.2° |
| C23 | C28 | C29 | 125.9° | 120.0° |
| C23 | C24 | C25 | 124.2° | 120.0° |
| C23 | C24 | H24 | 117.9° | 120.0° |
| C25 | C24 | H24 | 117.9° | 120.0° |
| C24 | C25 | C26 | 118.2° | 119.9° |
| C24 | C25 | O09 | 124.7° | 120.1° |
| C26 | C25 | O09 | 117.2° | 120.0° |
| C25 | C26 | O10 | 117.6° | 120.1° |
| C25 | C26 | C27 | 117.5° | 119.8° |
| C25 | O09 | C60 | 113.7° | 116.8° |
| O10 | C26 | C27 | 124.9° | 120.1° |
| C26 | O10 | C70 | 154.0° | 117.0° |
| C26 | C27 | C28 | 124.2° | 120.0° |
| C26 | C27 | H27 | 117.9° | 120.0° |
| C28 | C27 | H27 | 117.9° | 120.0° |
| C27 | C28 | C29 | 117.5° | 119.8° |
| C28 | C29 | C30 | 101.1° | 109.1° |
| C28 | C29 | H29 | 112.3° | 109.5° |
| C28 | C29 | H29A | 112.4° | 109.6° |
| C30 | C29 | H29 | 112.4° | 109.5° |
| C30 | C29 | H29A | 112.4° | 109.5° |
| C29 | C30 | C31 | 115.6° | 120.0° |
| C29 | C30 | C35 | 126.8° | 119.8° |
| H29 | C29 | H29A | 106.4° | 109.6° |
| C31 | C30 | C35 | 117.6° | 120.2° |
| C30 | C31 | C32 | 124.0° | 120.0° |
| C30 | C31 | H31 | 118.0° | 120.0° |
| C30 | C35 | C34 | 116.5° | 120.2° |
| C30 | C35 | C36 | 125.7° | 120.0° |
| C32 | C31 | H31 | 118.0° | 120.0° |
| C31 | C32 | O03 | 127.9° | 120.1° |
| C31 | C32 | C33 | 119.1° | 119.8° |
| O03 | C32 | C33 | 113.0° | 120.0° |
| C32 | O03 | C56 | 111.9° | 116.9° |
| C32 | C33 | O11 | 113.0° | 120.0° |
| C32 | C33 | C34 | 119.9° | 119.9° |
| O11 | C33 | C34 | 127.1° | 120.0° |
| C33 | O11 | CT5 | 149.3° | 117.0° |
| C33 | C34 | C35 | 122.9° | 120.0° |
| C33 | C34 | H34 | 118.5° | 120.1° |
| C35 | C34 | H34 | 118.5° | 120.0° |
| C34 | C35 | C36 | 117.8° | 119.9° |
| C35 | C36 | C37 | 110.2° | 109.1° |
| C35 | C36 | H36 | 109.2° | 109.6° |
| C35 | C36 | H36A | 109.2° | 109.5° |
| C37 | C36 | H36 | 109.3° | 109.6° |
| C37 | C36 | H36A | 109.3° | 109.5° |
| C36 | C37 | C42 | 125.8° | 120.0° |
| C36 | C37 | C38 | 117.2° | 119.8° |
| H36 | C36 | H36A | 109.7° | 109.6° |
| C42 | C37 | C38 | 117.0° | 120.2° |
| C37 | C42 | C41 | 118.6° | 120.1° |
| C37 | C38 | C39 | 123.3° | 120.0° |
| C37 | C38 | H38 | 118.4° | 120.0° |
| C39 | C38 | H38 | 118.3° | 120.0° |
| C38 | C39 | C40 | 118.7° | 119.8° |
| C38 | C39 | O06 | 122.6° | 120.1° |
| C40 | C39 | O06 | 118.7° | 120.1° |
| C39 | C40 | C41 | 118.5° | 119.9° |
| C39 | C40 | O12 | 115.8° | 120.0° |
| C39 | O06 | C47 | 123.0° | 116.9° |
| C41 | C40 | O12 | 125.7° | 120.1° |
| C40 | C41 | C42 | 123.9° | 120.0° |
| C40 | C41 | H41 | 118.1° | 120.0° |
| C40 | O12 | CT3 | 134.2° | 117.0° |
| C42 | C41 | H41 | 118.0° | 120.0° |
| O04 | C46 | H46 | 109.5° | 109.5° |
| O04 | C46 | H46A | 109.5° | 109.5° |
| O04 | C46 | H46B | 109.5° | 109.4° |
| H46 | C46 | H46A | 109.4° | 109.5° |
| H46 | C46 | H46B | 109.4° | 109.5° |
| H46A | C46 | H46B | 109.5° | 109.4° |
| C51 | C47 | O06 | 114.4° | 109.6° |
| C51 | C47 | H47 | 107.8° | 109.4° |
| C51 | C47 | H47A | 107.8° | 109.4° |
| C47 | C51 | O05 | 119.8° | 109.5° |
| C47 | C51 | H51 | 106.2° | 109.5° |
| C47 | C51 | H51A | 106.2° | 109.5° |
| O06 | C47 | H47 | 107.9° | 109.5° |
| O06 | C47 | H47A | 107.9° | 109.4° |
| H47 | C47 | H47A | 111.0° | 109.5° |
| O05 | C51 | H51 | 106.2° | 109.5° |
| O05 | C51 | H51A | 106.2° | 109.4° |
| H51 | C51 | H51A | 112.6° | 109.4° |
| C60 | C52 | O08 | 118.4° | 109.5° |
| C60 | C52 | H52 | 106.6° | 109.5° |
| C60 | C52 | H52A | 106.6° | 109.5° |
| C52 | C60 | O09 | 109.7° | 109.5° |
| C52 | C60 | H60 | 109.4° | 109.4° |
| C52 | C60 | H60A | 109.4° | 109.5° |
| O08 | C52 | H52 | 106.6° | 109.5° |
| O08 | C52 | H52A | 106.6° | 109.5° |
| H52 | C52 | H52A | 112.2° | 109.5° |
| C58 | C56 | O03 | 103.0° | 109.5° |
| C58 | C56 | H56 | 111.7° | 109.4° |
| C58 | C56 | H56A | 111.7° | 109.4° |
| C56 | C58 | O02 | 104.9° | 109.5° |
| C56 | C58 | H58 | 111.0° | 109.4° |
| C56 | C58 | H58A | 111.0° | 109.4° |
| O03 | C56 | H56 | 111.7° | 109.4° |
| O03 | C56 | H56A | 111.7° | 109.5° |
| H56 | C56 | H56A | 107.2° | 109.5° |
| O01 | C57 | H57 | 109.5° | 109.5° |
| O01 | C57 | H57A | 109.5° | 109.4° |
| O01 | C57 | H57B | 109.4° | 109.4° |
| H57 | C57 | H57A | 109.4° | 109.5° |
| H57 | C57 | H57B | 109.5° | 109.5° |
| H57A | C57 | H57B | 109.5° | 109.5° |
| O02 | C58 | H58 | 111.0° | 109.5° |
| O02 | C58 | H58A | 111.0° | 109.5° |
| H58 | C58 | H58A | 107.9° | 109.5° |
| O07 | C59 | H59 | 109.5° | 109.5° |
| O07 | C59 | H59A | 109.4° | 109.5° |
| O07 | C59 | H59B | 109.5° | 109.5° |
| H59 | C59 | H59A | 109.5° | 109.5° |
| H59 | C59 | H59B | 109.4° | 109.5° |
| H59A | C59 | H59B | 109.5° | 109.4° |
| O09 | C60 | H60 | 109.4° | 109.5° |
| O09 | C60 | H60A | 109.4° | 109.5° |
| H60 | C60 | H60A | 109.6° | 109.5° |
| O10 | C70 | C71 | 135.0° | 109.5° |
| O10 | C70 | H70 | 101.7° | 109.4° |
| O10 | C70 | H70A | 101.7° | 109.4° |
| O11 | CT5 | CN5 | 120.3° | 109.5° |
| O11 | CT5 | HT5 | 106.0° | 109.5° |
| O11 | CT5 | HT5A | 106.0° | 109.5° |
| O12 | CT3 | CN3 | 139.8° | 109.5° |
| O12 | CT3 | HT3 | 100.4° | 109.5° |
| O12 | CT3 | HT3A | 100.4° | 109.4° |
| S1 | C61 | C62 | 116.1° | 120.0° |
| S1 | C61 | C67 | 124.7° | 120.0° |
| C61 | S1 | N1 | 103.5° | 107.2° |
| C61 | S1 | O13 | 108.5° | 106.4° |
| C61 | S1 | O14 | 109.6° | 106.4° |
| C62 | C61 | C67 | 119.2° | 120.0° |
| C61 | C62 | C64 | 118.1° | 120.0° |
| C61 | C62 | H62 | 120.9° | 120.0° |
| C61 | C67 | C66 | 122.4° | 120.0° |
| C61 | C67 | H67 | 118.8° | 120.0° |
| C64 | C62 | H62 | 120.9° | 120.0° |
| C62 | C64 | C65 | 121.6° | 120.0° |
| C62 | C64 | H64 | 119.2° | 120.0° |
| C65 | C64 | H64 | 119.2° | 120.0° |
| C64 | C65 | C66 | 119.7° | 120.0° |
| C64 | C65 | C68 | 128.9° | 120.0° |
| C66 | C65 | C68 | 111.3° | 120.0° |
| C65 | C66 | C67 | 119.0° | 120.0° |
| C65 | C66 | H66 | 120.5° | 120.0° |
| C65 | C68 | C69 | 112.3° | 109.4° |
| C65 | C68 | H68 | 108.5° | 109.5° |
| C65 | C68 | H68A | 108.6° | 109.5° |
| C67 | C66 | H66 | 120.5° | 120.0° |
| C66 | C67 | H67 | 118.8° | 120.0° |
| C69 | C68 | H68 | 108.5° | 109.5° |
| C69 | C68 | H68A | 108.6° | 109.5° |
| C68 | C69 | N4 | 109.6° | 109.5° |
| C68 | C69 | H69 | 109.4° | 109.5° |
| C68 | C69 | H69A | 109.4° | 109.5° |
| H68 | C68 | H68A | 110.4° | 109.5° |
| N4 | C69 | H69 | 109.4° | 109.5° |
| N4 | C69 | H69A | 109.4° | 109.4° |
| C69 | N4 | C72 | 122.3° | 125.8° |
| C69 | N4 | N3 | 126.3° | 125.9° |
| H69 | C69 | H69A | 109.5° | 109.5° |
| S1 | N1 | HN1 | 109.5° | 119.9° |
| S1 | N1 | HN1A | 109.4° | 120.0° |
| N1 | S1 | O13 | 109.3° | 106.4° |
| N1 | S1 | O14 | 118.7° | 106.4° |
| HN1 | N1 | HN1A | 109.5° | 120.1° |
| O13 | S1 | O14 | 106.9° | 123.1° |
| C71 | C70 | H70 | 101.7° | 109.5° |
| C71 | C70 | H70A | 101.7° | 109.5° |
| C70 | C71 | C72 | 124.3° | 126.8° |
| C70 | C71 | N2 | 129.1° | 126.7° |
| H70 | C70 | H70A | 116.0° | 109.5° |
| C72 | C71 | N2 | 106.6° | 106.5° |
| C71 | C72 | N4 | 108.3° | 106.2° |
| C71 | C72 | H72 | 125.9° | 126.9° |
| C71 | N2 | N3 | 107.4° | 108.9° |
| N4 | C72 | H72 | 125.8° | 126.9° |
| C72 | N4 | N3 | 111.4° | 108.3° |
| N2 | N3 | N4 | 106.2° | 110.2° |
| CN5 | CT5 | HT5 | 106.0° | 109.4° |
| CN5 | CT5 | HT5A | 106.0° | 109.5° |
| CT5 | CN5 | NN7 | 127.9° | 126.7° |
| CT5 | CN5 | CN6 | 125.5° | 126.8° |
| HT5 | CT5 | HT5A | 112.7° | 109.5° |
| NN7 | CN5 | CN6 | 106.7° | 106.5° |
| CN5 | NN7 | NN8 | 110.4° | 108.9° |
| CN5 | CN6 | NN9 | 107.8° | 106.2° |
| CN5 | CN6 | HN6 | 126.1° | 126.9° |
| NN9 | CN6 | HN6 | 126.1° | 127.0° |
| CN6 | NN9 | NN8 | 110.0° | 108.3° |
| CN6 | NN9 | CI5 | 122.7° | 125.8° |
| NN7 | NN8 | NN9 | 105.0° | 110.2° |
| NN8 | NN9 | CI5 | 127.2° | 125.9° |
| NN9 | CI5 | CI6 | 126.0° | 109.5° |
| NN9 | CI5 | HI5 | 104.3° | 109.4° |
| NN9 | CI5 | HI5A | 104.3° | 109.5° |
| CI6 | CI5 | HI5 | 104.3° | 109.5° |
| CI6 | CI5 | HI5A | 104.3° | 109.5° |
| CI5 | CI6 | CO5 | 120.0° | 109.5° |
| CI5 | CI6 | HI6 | 106.1° | 109.5° |
| CI5 | CI6 | HI6A | 106.1° | 109.4° |
| HI5 | CI5 | HI5A | 114.1° | 109.4° |
| CO5 | CI6 | HI6 | 106.1° | 109.5° |
| CO5 | CI6 | HI6A | 106.1° | 109.5° |
| CI6 | CO5 | O51 | 127.2° | 120.0° |
| CI6 | CO5 | O52 | 122.5° | 119.9° |
| HI6 | CI6 | HI6A | 112.6° | 109.5° |
| O51 | CO5 | O52 | 110.2° | 120.0° |
| CO5 | O52 | HO52 | 109.5° | 117.0° |
| O32 | CO3 | CI4 | 121.6° | 120.0° |
| O32 | CO3 | O31 | 121.2° | 120.0° |
| CI4 | CO3 | O31 | 117.2° | 120.0° |
| CO3 | CI4 | CI3 | 121.0° | 109.5° |
| CO3 | CI4 | HI4 | 105.8° | 109.4° |
| CO3 | CI4 | HI4A | 105.8° | 109.5° |
| CO3 | O31 | HO31 | 109.5° | 117.0° |
| CI4 | CI3 | NN6 | 125.7° | 109.5° |
| CI4 | CI3 | HI3 | 104.4° | 109.4° |
| CI4 | CI3 | HI3A | 104.4° | 109.5° |
| CI3 | CI4 | HI4 | 105.8° | 109.5° |
| CI3 | CI4 | HI4A | 105.8° | 109.5° |
| NN6 | CI3 | HI3 | 104.4° | 109.4° |
| NN6 | CI3 | HI3A | 104.4° | 109.5° |
| CI3 | NN6 | NN5 | 148.6° | 125.8° |
| CI3 | NN6 | CN4 | 106.1° | 125.9° |
| HI3 | CI3 | HI3A | 114.0° | 109.5° |
| HI4 | CI4 | HI4A | 112.9° | 109.5° |
| CN3 | NN4 | NN5 | 110.0° | 108.9° |
| NN4 | CN3 | CT3 | 135.1° | 126.8° |
| NN4 | CN3 | CN4 | 104.6° | 106.5° |
| NN4 | NN5 | NN6 | 110.6° | 110.2° |
| NN5 | NN6 | CN4 | 105.3° | 108.3° |
| NN6 | CN4 | CN3 | 109.5° | 106.2° |
| NN6 | CN4 | HN4 | 125.2° | 126.9° |
| CN3 | CT3 | HT3 | 100.4° | 109.5° |
| CN3 | CT3 | HT3A | 100.4° | 109.4° |
| CT3 | CN3 | CN4 | 120.3° | 126.8° |
| HT3 | CT3 | HT3A | 116.8° | 109.5° |
| CN3 | CN4 | HN4 | 125.3° | 126.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C01 | C21 | H01 | 120.0° | 119.9° |
| C02 | C01 | C21 | H01A | 120.0° | 120.0° |
| C02 | C01 | H01 | H01A | 117.3° | 120.1° |
| C01 | C02 | C03 | C07 | 179.3° | 179.8° |
| C01 | C02 | C03 | C04 | 179.2° | 179.6° |
| C01 | C02 | C03 | H03 | 0.8° | 0.3° |
| C01 | C02 | C07 | C06 | 179.0° | 179.6° |
| C01 | C02 | C07 | C08 | 0.5° | 0.2° |
| C02 | C01 | C21 | C16 | 92.6° | 100.9° |
| C02 | C01 | C21 | C20 | 88.0° | 78.9° |
| C21 | C01 | H01 | H01A | 117.2° | 120.1° |
| C21 | C01 | C02 | C03 | 95.5° | 79.6° |
| C21 | C01 | C02 | C07 | 85.3° | 100.5° |
| C01 | C21 | C16 | C15 | 0.1° | 0.3° |
| C01 | C21 | C16 | C20 | 179.4° | 179.8° |
| C01 | C21 | C16 | C17 | 179.7° | 179.6° |
| C01 | C21 | C20 | C19 | 179.6° | 180.0° |
| C01 | C21 | C20 | H20 | 0.4° | 0.0° |
| H01 | C01 | C02 | C03 | 144.5° | 40.3° |
| H01 | C01 | C02 | C07 | 34.7° | 139.6° |
| H01 | C01 | C21 | C16 | 27.3° | 139.2° |
| H01 | C01 | C21 | C20 | 152.0° | 41.0° |
| H01A | C01 | C02 | C03 | 24.5° | 160.4° |
| H01A | C01 | C02 | C07 | 154.7° | 19.4° |
| H01A | C01 | C21 | C16 | 147.3° | 19.0° |
| H01A | C01 | C21 | C20 | 32.0° | 161.2° |
| C02 | C03 | C04 | H03 | 180.0° | 180.0° |
| C02 | C03 | C04 | O01 | 179.7° | 180.0° |
| C02 | C03 | C04 | C05 | 0.1° | 0.0° |
| C03 | C02 | C07 | C06 | 0.2° | 0.6° |
| C03 | C02 | C07 | C08 | 179.7° | 179.6° |
| C07 | C02 | C03 | C04 | 0.1° | 0.6° |
| C07 | C02 | C03 | H03 | 179.9° | 179.5° |
| C02 | C07 | C06 | C05 | 0.1° | 0.0° |
| C02 | C07 | C06 | C08 | 179.6° | 179.9° |
| C02 | C07 | C06 | H06 | 179.9° | 180.0° |
| C02 | C07 | C08 | C09 | 91.5° | 100.8° |
| C02 | C07 | C08 | H08 | 148.5° | 19.2° |
| C02 | C07 | C08 | H08A | 28.5° | 139.3° |
| C03 | C04 | O01 | C05 | 179.6° | 180.0° |
| C03 | C04 | C05 | O02 | 179.5° | 179.1° |
| C03 | C04 | C05 | C06 | 0.2° | 0.5° |
| C03 | C04 | O01 | C57 | 0.6° | 0.0° |
| H03 | C03 | C04 | O01 | 0.3° | 0.0° |
| H03 | C03 | C04 | C05 | 179.9° | 180.0° |
| O01 | C04 | C05 | O02 | 0.2° | 0.9° |
| O01 | C04 | C05 | C06 | 179.9° | 179.5° |
| C04 | O01 | C57 | H57 | 180.0° | 60.0° |
| C04 | O01 | C57 | H57A | 60.0° | 180.0° |
| C04 | O01 | C57 | H57B | 60.0° | 60.0° |
| C04 | C05 | O02 | C06 | 179.7° | 179.6° |
| C04 | C05 | C06 | C07 | 0.1° | 0.5° |
| C04 | C05 | C06 | H06 | 179.9° | 179.5° |
| C05 | C04 | O01 | C57 | 179.8° | 180.0° |
| C04 | C05 | O02 | C58 | 145.4° | 38.0° |
| O02 | C05 | C06 | C07 | 179.5° | 179.1° |
| O02 | C05 | C06 | H06 | 0.5° | 0.9° |
| C05 | O02 | C58 | C56 | 81.8° | 123.8° |
| C05 | O02 | C58 | H58 | 38.2° | 3.8° |
| C05 | O02 | C58 | H58A | 158.2° | 116.3° |
| C05 | C06 | C07 | H06 | 180.0° | 180.0° |
| C05 | C06 | C07 | C08 | 179.7° | 179.9° |
| C06 | C05 | O02 | C58 | 35.0° | 141.7° |
| C06 | C07 | C08 | C09 | 89.0° | 79.1° |
| C06 | C07 | C08 | H08 | 31.0° | 160.9° |
| C06 | C07 | C08 | H08A | 151.0° | 40.9° |
| H06 | C06 | C07 | C08 | 0.3° | 0.1° |
| C07 | C08 | C09 | H08 | 120.0° | 120.0° |
| C07 | C08 | C09 | H08A | 120.0° | 119.9° |
| C07 | C08 | H08 | H08A | 115.9° | 120.1° |
| C07 | C08 | C09 | C14 | 94.5° | 100.5° |
| C07 | C08 | C09 | C10 | 85.6° | 79.5° |
| C09 | C08 | H08 | H08A | 115.9° | 120.1° |
| C08 | C09 | C14 | C10 | 179.9° | 180.0° |
| C08 | C09 | C10 | C11 | 179.9° | 179.8° |
| C08 | C09 | C10 | H10 | 0.1° | 0.2° |
| C08 | C09 | C14 | C13 | 179.6° | 179.8° |
| C08 | C09 | C14 | C15 | 0.4° | 0.2° |
| H08 | C08 | C09 | C14 | 145.4° | 19.5° |
| H08 | C08 | C09 | C10 | 34.4° | 160.5° |
| H08A | C08 | C09 | C14 | 25.4° | 139.6° |
| H08A | C08 | C09 | C10 | 154.4° | 40.4° |
| C14 | C09 | C10 | C11 | 0.0° | 0.2° |
| C14 | C09 | C10 | H10 | 180.0° | 179.8° |
| C09 | C14 | C13 | C12 | 0.2° | 0.0° |
| C09 | C14 | C13 | C15 | 179.9° | 180.0° |
| C09 | C14 | C13 | H13 | 179.8° | 179.9° |
| C09 | C14 | C15 | C16 | 90.7° | 100.8° |
| C09 | C14 | C15 | H15 | 149.3° | 19.1° |
| C09 | C14 | C15 | H15A | 29.3° | 139.2° |
| C09 | C10 | C11 | H10 | 180.0° | 180.0° |
| C09 | C10 | C11 | C12 | 0.2° | 0.1° |
| C09 | C10 | C11 | O04 | 179.8° | 180.0° |
| C10 | C09 | C14 | C13 | 0.2° | 0.2° |
| C10 | C09 | C14 | C15 | 179.7° | 179.8° |
| C10 | C11 | C12 | O04 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 0.2° | 0.1° |
| C10 | C11 | C12 | O05 | 179.8° | 179.8° |
| C10 | C11 | O04 | C46 | 113.2° | 0.0° |
| H10 | C10 | C11 | C12 | 179.8° | 180.0° |
| H10 | C10 | C11 | O04 | 0.2° | 0.0° |
| C11 | C12 | C13 | O05 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.0° | 0.1° |
| C11 | C12 | C13 | H13 | 180.0° | 179.8° |
| C12 | C11 | O04 | C46 | 66.8° | 180.0° |
| C11 | C12 | O05 | C51 | 81.2° | 38.6° |
| O04 | C11 | C12 | C13 | 179.8° | 179.8° |
| O04 | C11 | C12 | O05 | 0.2° | 0.2° |
| C11 | O04 | C46 | H46 | 180.0° | 180.0° |
| C11 | O04 | C46 | H46A | 60.0° | 60.0° |
| C11 | O04 | C46 | H46B | 60.0° | 60.0° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 179.7° | 179.9° |
| C13 | C12 | O05 | C51 | 98.8° | 141.3° |
| O05 | C12 | C13 | C14 | 180.0° | 179.8° |
| O05 | C12 | C13 | H13 | 0.0° | 0.3° |
| C12 | O05 | C51 | C47 | 159.2° | 119.2° |
| C12 | O05 | C51 | H51 | 80.9° | 0.9° |
| C12 | O05 | C51 | H51A | 39.2° | 120.8° |
| C13 | C14 | C15 | C16 | 89.2° | 79.3° |
| C13 | C14 | C15 | H15 | 30.8° | 160.8° |
| C13 | C14 | C15 | H15A | 150.8° | 40.7° |
| H13 | C13 | C14 | C15 | 0.3° | 0.0° |
| C14 | C15 | C16 | H15 | 120.0° | 119.9° |
| C14 | C15 | C16 | H15A | 120.0° | 120.0° |
| C14 | C15 | H15 | H15A | 119.9° | 120.1° |
| C14 | C15 | C16 | C21 | 93.1° | 100.5° |
| C14 | C15 | C16 | C17 | 87.1° | 79.6° |
| C16 | C15 | H15 | H15A | 119.9° | 120.1° |
| C15 | C16 | C21 | C17 | 179.8° | 179.9° |
| C15 | C16 | C17 | C18 | 179.6° | 179.6° |
| C15 | C16 | C17 | H17 | 0.4° | 0.4° |
| C15 | C16 | C21 | C20 | 179.5° | 179.4° |
| H15 | C15 | C16 | C21 | 146.9° | 19.5° |
| H15 | C15 | C16 | C17 | 32.9° | 160.4° |
| H15A | C15 | C16 | C21 | 26.9° | 139.5° |
| H15A | C15 | C16 | C17 | 152.9° | 40.3° |
| C21 | C16 | C17 | C18 | 0.2° | 0.5° |
| C21 | C16 | C17 | H17 | 179.8° | 179.5° |
| C16 | C21 | C20 | C19 | 0.2° | 0.2° |
| C16 | C21 | C20 | H20 | 179.8° | 179.8° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.0° | 0.1° |
| C16 | C17 | C18 | O07 | 179.8° | 179.9° |
| C17 | C16 | C21 | C20 | 0.3° | 0.7° |
| C17 | C18 | C19 | O07 | 179.7° | 180.0° |
| C17 | C18 | C19 | C20 | 0.1° | 0.5° |
| C17 | C18 | C19 | O08 | 179.7° | 179.2° |
| C17 | C18 | O07 | C59 | 95.7° | 0.0° |
| H17 | C17 | C18 | C19 | 180.0° | 179.9° |
| H17 | C17 | C18 | O07 | 0.2° | 0.0° |
| C18 | C19 | C20 | O08 | 179.9° | 179.7° |
| C18 | C19 | C20 | C21 | 0.0° | 0.4° |
| C18 | C19 | C20 | H20 | 180.0° | 179.6° |
| C18 | C19 | O08 | C52 | 73.8° | 41.2° |
| C19 | C18 | O07 | C59 | 84.0° | 180.0° |
| O07 | C18 | C19 | C20 | 179.9° | 179.5° |
| O07 | C18 | C19 | O08 | 0.0° | 0.8° |
| C18 | O07 | C59 | H59 | 180.0° | 60.0° |
| C18 | O07 | C59 | H59A | 60.0° | 60.1° |
| C18 | O07 | C59 | H59B | 60.0° | 180.0° |
| C19 | C20 | C21 | H20 | 180.0° | 180.0° |
| C20 | C19 | O08 | C52 | 106.3° | 138.5° |
| O08 | C19 | C20 | C21 | 179.9° | 179.4° |
| O08 | C19 | C20 | H20 | 0.1° | 0.6° |
| C19 | O08 | C52 | C60 | 82.9° | 121.8° |
| C19 | O08 | C52 | H52 | 157.1° | 1.8° |
| C19 | O08 | C52 | H52A | 37.1° | 118.2° |
| C23 | C22 | C42 | H22 | 120.0° | 120.0° |
| C23 | C22 | C42 | H22A | 120.0° | 120.0° |
| C23 | C22 | H22 | H22A | 116.6° | 120.1° |
| C22 | C23 | C28 | C24 | 180.0° | 179.6° |
| C22 | C23 | C24 | C25 | 180.0° | 179.9° |
| C22 | C23 | C24 | H24 | 0.0° | 0.1° |
| C22 | C23 | C28 | C27 | 179.8° | 179.5° |
| C22 | C23 | C28 | C29 | 0.3° | 1.1° |
| C23 | C22 | C42 | C37 | 89.4° | 100.5° |
| C23 | C22 | C42 | C41 | 91.2° | 79.5° |
| C42 | C22 | H22 | H22A | 116.5° | 120.0° |
| C42 | C22 | C23 | C28 | 94.6° | 101.1° |
| C42 | C22 | C23 | C24 | 85.4° | 78.5° |
| C22 | C42 | C37 | C36 | 0.1° | 0.2° |
| C22 | C42 | C37 | C41 | 179.3° | 180.0° |
| C22 | C42 | C37 | C38 | 179.2° | 179.5° |
| C22 | C42 | C41 | C40 | 179.2° | 179.5° |
| C22 | C42 | C41 | H41 | 0.8° | 0.4° |
| H22 | C22 | C23 | C28 | 145.4° | 18.8° |
| H22 | C22 | C23 | C24 | 34.6° | 161.5° |
| H22 | C22 | C42 | C37 | 150.5° | 19.5° |
| H22 | C22 | C42 | C41 | 28.8° | 160.5° |
| H22A | C22 | C23 | C28 | 25.4° | 138.9° |
| H22A | C22 | C23 | C24 | 154.6° | 41.4° |
| H22A | C22 | C42 | C37 | 30.6° | 139.5° |
| H22A | C22 | C42 | C41 | 148.7° | 40.5° |
| C28 | C23 | C24 | C25 | 0.0° | 0.3° |
| C28 | C23 | C24 | H24 | 180.0° | 179.7° |
| C23 | C28 | C27 | C26 | 0.3° | 0.8° |
| C23 | C28 | C27 | C29 | 179.9° | 179.4° |
| C23 | C28 | C27 | H27 | 179.7° | 179.1° |
| C23 | C28 | C29 | C30 | 90.3° | 99.8° |
| C23 | C28 | C29 | H29 | 29.7° | 140.4° |
| C23 | C28 | C29 | H29A | 149.7° | 20.1° |
| C23 | C24 | C25 | H24 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.2° | 0.5° |
| C23 | C24 | C25 | O09 | 179.5° | 179.0° |
| C24 | C23 | C28 | C27 | 0.3° | 0.9° |
| C24 | C23 | C28 | C29 | 179.7° | 178.5° |
| C24 | C25 | C26 | O09 | 179.8° | 179.5° |
| C24 | C25 | C26 | O10 | 179.9° | 179.4° |
| C24 | C25 | C26 | C27 | 0.2° | 0.6° |
| C24 | C25 | O09 | C60 | 101.4° | 136.8° |
| H24 | C24 | C25 | C26 | 179.8° | 179.5° |
| H24 | C24 | C25 | O09 | 0.5° | 1.0° |
| C25 | C26 | O10 | C27 | 179.9° | 180.0° |
| C25 | C26 | C27 | C28 | 0.1° | 0.0° |
| C25 | C26 | C27 | H27 | 179.9° | 179.9° |
| C26 | C25 | O09 | C60 | 78.4° | 42.7° |
| C25 | C26 | O10 | C70 | 21.5° | 180.0° |
| O09 | C25 | C26 | O10 | 0.3° | 1.1° |
| O09 | C25 | C26 | C27 | 179.6° | 178.8° |
| C25 | O09 | C60 | C52 | 129.4° | 124.9° |
| C25 | O09 | C60 | H60 | 110.7° | 4.9° |
| C25 | O09 | C60 | H60A | 9.4° | 115.1° |
| O10 | C26 | C27 | C28 | 179.9° | 179.9° |
| O10 | C26 | C27 | H27 | 0.1° | 0.2° |
| C26 | O10 | C70 | C71 | 0.1° | 180.0° |
| C26 | O10 | C70 | H70 | 119.8° | 60.0° |
| C26 | O10 | C70 | H70A | 120.1° | 60.0° |
| C26 | C27 | C28 | H27 | 180.0° | 179.9° |
| C26 | C27 | C28 | C29 | 179.6° | 178.6° |
| C27 | C26 | O10 | C70 | 158.6° | 0.1° |
| C27 | C28 | C29 | C30 | 89.6° | 79.7° |
| C27 | C28 | C29 | H29 | 150.4° | 40.2° |
| C27 | C28 | C29 | H29A | 30.4° | 160.5° |
| H27 | C27 | C28 | C29 | 0.4° | 1.5° |
| C28 | C29 | C30 | H29 | 120.0° | 119.9° |
| C28 | C29 | C30 | H29A | 120.0° | 119.9° |
| C28 | C29 | H29 | H29A | 123.4° | 120.2° |
| C28 | C29 | C30 | C31 | 84.6° | 77.6° |
| C28 | C29 | C30 | C35 | 95.4° | 102.0° |
| C30 | C29 | H29 | H29A | 123.4° | 120.2° |
| C29 | C30 | C31 | C35 | 179.9° | 179.6° |
| C29 | C30 | C31 | C32 | 180.0° | 179.9° |
| C29 | C30 | C31 | H31 | 0.1° | 0.0° |
| C29 | C30 | C35 | C34 | 179.9° | 179.3° |
| C29 | C30 | C35 | C36 | 0.2° | 1.5° |
| H29 | C29 | C30 | C31 | 155.5° | 42.2° |
| H29 | C29 | C30 | C35 | 24.6° | 138.2° |
| H29A | C29 | C30 | C31 | 35.5° | 162.4° |
| H29A | C29 | C30 | C35 | 144.6° | 18.0° |
| C30 | C31 | C32 | H31 | 180.0° | 180.0° |
| C30 | C31 | C32 | O03 | 179.6° | 178.9° |
| C30 | C31 | C32 | C33 | 0.1° | 0.6° |
| C31 | C30 | C35 | C34 | 0.2° | 1.1° |
| C31 | C30 | C35 | C36 | 179.9° | 178.1° |
| C35 | C30 | C31 | C32 | 0.0° | 0.3° |
| C35 | C30 | C31 | H31 | 180.0° | 179.6° |
| C30 | C35 | C34 | C33 | 0.2° | 0.9° |
| C30 | C35 | C34 | C36 | 179.7° | 179.2° |
| C30 | C35 | C34 | H34 | 179.8° | 179.0° |
| C30 | C35 | C36 | C37 | 96.7° | 99.9° |
| C30 | C35 | C36 | H36 | 23.3° | 140.2° |
| C30 | C35 | C36 | H36A | 143.3° | 20.0° |
| C31 | C32 | O03 | C33 | 179.7° | 179.5° |
| C31 | C32 | C33 | O11 | 179.9° | 179.3° |
| C31 | C32 | C33 | C34 | 0.1° | 0.8° |
| C31 | C32 | O03 | C56 | 50.9° | 141.9° |
| H31 | C31 | C32 | O03 | 0.4° | 1.1° |
| H31 | C31 | C32 | C33 | 179.9° | 179.4° |
| O03 | C32 | C33 | O11 | 0.2° | 1.2° |
| O03 | C32 | C33 | C34 | 179.7° | 178.7° |
| C32 | O03 | C56 | C58 | 160.7° | 125.3° |
| C32 | O03 | C56 | H56 | 40.8° | 5.4° |
| C32 | O03 | C56 | H56A | 79.3° | 114.7° |
| C32 | C33 | O11 | C34 | 179.9° | 179.9° |
| C32 | C33 | C34 | C35 | 0.1° | 0.0° |
| C32 | C33 | C34 | H34 | 179.9° | 180.0° |
| C33 | C32 | O03 | C56 | 128.8° | 37.7° |
| C32 | C33 | O11 | CT5 | 105.8° | 180.0° |
| O11 | C33 | C34 | C35 | 179.8° | 179.9° |
| O11 | C33 | C34 | H34 | 0.3° | 0.1° |
| C33 | O11 | CT5 | CN5 | 150.1° | 180.0° |
| C33 | O11 | CT5 | HT5 | 30.1° | 60.0° |
| C33 | O11 | CT5 | HT5A | 89.9° | 60.0° |
| C33 | C34 | C35 | H34 | 180.0° | 179.9° |
| C33 | C34 | C35 | C36 | 179.9° | 178.3° |
| C34 | C33 | O11 | CT5 | 74.1° | 0.1° |
| C34 | C35 | C36 | C37 | 83.6° | 79.3° |
| C34 | C35 | C36 | H36 | 156.4° | 40.6° |
| C34 | C35 | C36 | H36A | 36.4° | 160.8° |
| H34 | C34 | C35 | C36 | 0.0° | 1.8° |
| C35 | C36 | C37 | H36 | 120.0° | 119.9° |
| C35 | C36 | C37 | H36A | 120.0° | 119.8° |
| C35 | C36 | H36 | H36A | 119.7° | 120.1° |
| C35 | C36 | C37 | C42 | 84.8° | 100.8° |
| C35 | C36 | C37 | C38 | 95.9° | 79.0° |
| C37 | C36 | H36 | H36A | 119.7° | 120.2° |
| C36 | C37 | C42 | C38 | 179.3° | 179.8° |
| C36 | C37 | C38 | C39 | 179.3° | 179.9° |
| C36 | C37 | C38 | H38 | 0.7° | 0.1° |
| C36 | C37 | C42 | C41 | 179.4° | 179.8° |
| H36 | C36 | C37 | C42 | 35.2° | 139.3° |
| H36 | C36 | C37 | C38 | 144.1° | 41.0° |
| H36A | C36 | C37 | C42 | 155.2° | 19.0° |
| H36A | C36 | C37 | C38 | 24.1° | 161.2° |
| C42 | C37 | C38 | C39 | 0.0° | 0.1° |
| C42 | C37 | C38 | H38 | 180.0° | 179.8° |
| C37 | C42 | C41 | C40 | 0.1° | 0.4° |
| C37 | C42 | C41 | H41 | 179.8° | 179.6° |
| C37 | C38 | C39 | H38 | 180.0° | 179.9° |
| C37 | C38 | C39 | C40 | 0.1° | 0.2° |
| C37 | C38 | C39 | O06 | 179.0° | 179.7° |
| C38 | C37 | C42 | C41 | 0.1° | 0.5° |
| C38 | C39 | C40 | O06 | 179.1° | 179.9° |
| C38 | C39 | C40 | C41 | 0.1° | 0.2° |
| C38 | C39 | C40 | O12 | 179.4° | 179.8° |
| C38 | C39 | O06 | C47 | 114.8° | 142.6° |
| H38 | C38 | C39 | C40 | 179.9° | 179.8° |
| H38 | C38 | C39 | O06 | 1.0° | 0.2° |
| C39 | C40 | C41 | O12 | 179.2° | 180.0° |
| C39 | C40 | C41 | C42 | 0.1° | 0.1° |
| C39 | C40 | C41 | H41 | 179.9° | 179.9° |
| C40 | C39 | O06 | C47 | 66.1° | 37.3° |
| C39 | C40 | O12 | CT3 | 108.8° | 180.0° |
| O06 | C39 | C40 | C41 | 179.0° | 179.7° |
| O06 | C39 | C40 | O12 | 0.2° | 0.3° |
| C39 | O06 | C47 | C51 | 50.5° | 128.2° |
| C39 | O06 | C47 | H47 | 170.5° | 8.2° |
| C39 | O06 | C47 | H47A | 69.5° | 111.8° |
| C40 | C41 | C42 | H41 | 180.0° | 180.0° |
| C41 | C40 | O12 | CT3 | 72.0° | 0.0° |
| O12 | C40 | C41 | C42 | 179.1° | 179.9° |
| O12 | C40 | C41 | H41 | 0.9° | 0.0° |
| C40 | O12 | CT3 | CN3 | 129.1° | 180.0° |
| C40 | O12 | CT3 | HT3 | 9.1° | 60.0° |
| C40 | O12 | CT3 | HT3A | 110.9° | 60.0° |
| O04 | C46 | H46 | H46A | 120.0° | 120.0° |
| O04 | C46 | H46 | H46B | 120.0° | 120.0° |
| O04 | C46 | H46A | H46B | 120.0° | 119.9° |
| H46 | C46 | H46A | H46B | 119.9° | 120.0° |
| C51 | C47 | O06 | H47 | 120.0° | 120.0° |
| C51 | C47 | O06 | H47A | 120.0° | 120.0° |
| C51 | C47 | H47 | H47A | 118.0° | 119.9° |
| C47 | C51 | O05 | H51 | 120.0° | 120.1° |
| C47 | C51 | O05 | H51A | 120.0° | 120.0° |
| C47 | C51 | H51 | H51A | 115.8° | 120.0° |
| O06 | C47 | H47 | H47A | 118.0° | 120.0° |
| O06 | C47 | C51 | O05 | 154.7° | 170.9° |
| O06 | C47 | C51 | H51 | 34.7° | 50.9° |
| O06 | C47 | C51 | H51A | 85.3° | 69.1° |
| H47 | C47 | C51 | O05 | 34.6° | 50.9° |
| H47 | C47 | C51 | H51 | 85.3° | 69.2° |
| H47 | C47 | C51 | H51A | 154.6° | 170.9° |
| H47A | C47 | C51 | O05 | 85.3° | 69.0° |
| H47A | C47 | C51 | H51 | 154.7° | 170.9° |
| H47A | C47 | C51 | H51A | 34.6° | 51.0° |
| O05 | C51 | H51 | H51A | 115.8° | 119.9° |
| C60 | C52 | O08 | H52 | 120.0° | 120.0° |
| C60 | C52 | O08 | H52A | 120.0° | 120.0° |
| C60 | C52 | H52 | H52A | 116.3° | 120.0° |
| C52 | C60 | O09 | H60 | 120.0° | 119.9° |
| C52 | C60 | O09 | H60A | 120.0° | 120.0° |
| C52 | C60 | H60 | H60A | 119.9° | 120.0° |
| O08 | C52 | H52 | H52A | 116.3° | 120.0° |
| O08 | C52 | C60 | O09 | 148.7° | 176.1° |
| O08 | C52 | C60 | H60 | 28.7° | 56.1° |
| O08 | C52 | C60 | H60A | 91.3° | 63.9° |
| H52 | C52 | C60 | O09 | 28.8° | 56.1° |
| H52 | C52 | C60 | H60 | 91.2° | 63.8° |
| H52 | C52 | C60 | H60A | 148.8° | 176.2° |
| H52A | C52 | C60 | O09 | 91.3° | 63.9° |
| H52A | C52 | C60 | H60 | 148.7° | 176.2° |
| H52A | C52 | C60 | H60A | 28.7° | 56.2° |
| C58 | C56 | O03 | H56 | 120.0° | 119.9° |
| C58 | C56 | O03 | H56A | 120.0° | 120.0° |
| C58 | C56 | H56 | H56A | 122.7° | 119.9° |
| C56 | C58 | O02 | H58 | 120.0° | 120.0° |
| C56 | C58 | O02 | H58A | 120.0° | 120.0° |
| C56 | C58 | H58 | H58A | 121.9° | 119.9° |
| O03 | C56 | H56 | H56A | 122.6° | 120.1° |
| O03 | C56 | C58 | O02 | 175.4° | 171.8° |
| O03 | C56 | C58 | H58 | 55.4° | 51.8° |
| O03 | C56 | C58 | H58A | 64.6° | 68.2° |
| H56 | C56 | C58 | O02 | 55.4° | 51.8° |
| H56 | C56 | C58 | H58 | 64.5° | 68.2° |
| H56 | C56 | C58 | H58A | 175.4° | 171.9° |
| H56A | C56 | C58 | O02 | 64.6° | 68.1° |
| H56A | C56 | C58 | H58 | 175.4° | 171.8° |
| H56A | C56 | C58 | H58A | 55.4° | 51.9° |
| O01 | C57 | H57 | H57A | 120.0° | 120.0° |
| O01 | C57 | H57 | H57B | 120.0° | 120.0° |
| O01 | C57 | H57A | H57B | 120.0° | 119.9° |
| H57 | C57 | H57A | H57B | 120.0° | 120.0° |
| O02 | C58 | H58 | H58A | 121.9° | 120.1° |
| O07 | C59 | H59 | H59A | 120.0° | 120.0° |
| O07 | C59 | H59 | H59B | 120.0° | 120.0° |
| O07 | C59 | H59A | H59B | 120.0° | 119.9° |
| H59 | C59 | H59A | H59B | 120.0° | 120.0° |
| O09 | C60 | H60 | H60A | 119.9° | 120.0° |
| O10 | C70 | C71 | H70 | 120.0° | 120.0° |
| O10 | C70 | C71 | H70A | 120.0° | 120.0° |
| O10 | C70 | H70 | H70A | 109.3° | 119.9° |
| O10 | C70 | C71 | C72 | 77.9° | 0.0° |
| O10 | C70 | C71 | N2 | 101.9° | 179.7° |
| O11 | CT5 | CN5 | HT5 | 120.0° | 120.0° |
| O11 | CT5 | CN5 | HT5A | 120.0° | 120.0° |
| O11 | CT5 | HT5 | HT5A | 115.5° | 120.0° |
| O11 | CT5 | CN5 | NN7 | 104.3° | 179.7° |
| O11 | CT5 | CN5 | CN6 | 75.2° | 0.0° |
| O12 | CT3 | CN3 | NN4 | 62.3° | 180.0° |
| O12 | CT3 | CN3 | HT3 | 120.0° | 120.0° |
| O12 | CT3 | CN3 | HT3A | 120.0° | 119.9° |
| O12 | CT3 | HT3 | HT3A | 107.3° | 120.0° |
| O12 | CT3 | CN3 | CN4 | 116.9° | 0.0° |
| S1 | C61 | C62 | C67 | 179.7° | 179.8° |
| S1 | C61 | C62 | C64 | 179.3° | 179.7° |
| S1 | C61 | C62 | H62 | 0.7° | 0.3° |
| S1 | C61 | C67 | C66 | 179.4° | 179.7° |
| S1 | C61 | C67 | H67 | 0.6° | 0.2° |
| C61 | S1 | N1 | O13 | 115.5° | 113.6° |
| C61 | S1 | N1 | O14 | 121.6° | 113.5° |
| C61 | S1 | N1 | HN1 | 180.0° | 0.0° |
| C61 | S1 | N1 | HN1A | 60.0° | 180.0° |
| C61 | S1 | O13 | O14 | 118.1° | 122.9° |
| C61 | C62 | C64 | H62 | 180.0° | 180.0° |
| C61 | C62 | C64 | C65 | 0.1° | 0.0° |
| C61 | C62 | C64 | H64 | 180.0° | 180.0° |
| C62 | C61 | C67 | C66 | 0.3° | 0.1° |
| C62 | C61 | C67 | H67 | 179.7° | 180.0° |
| C62 | C61 | S1 | N1 | 51.7° | 89.8° |
| C62 | C61 | S1 | O13 | 64.4° | 23.8° |
| C62 | C61 | S1 | O14 | 179.2° | 156.7° |
| C67 | C61 | C62 | C64 | 0.4° | 0.1° |
| C67 | C61 | C62 | H62 | 179.6° | 179.9° |
| C61 | C67 | C66 | C65 | 0.1° | NaN° |
| C61 | C67 | C66 | H67 | 180.0° | 179.9° |
| C61 | C67 | C66 | H66 | 179.8° | 179.9° |
| C67 | C61 | S1 | N1 | 128.0° | 90.0° |
| C67 | C61 | S1 | O13 | 115.9° | 156.4° |
| C67 | C61 | S1 | O14 | 0.5° | 23.5° |
| C62 | C64 | C65 | H64 | 180.0° | 180.0° |
| C62 | C64 | C65 | C66 | 0.4° | 0.1° |
| C62 | C64 | C65 | C68 | 179.4° | 180.0° |
| H62 | C62 | C64 | C65 | 179.9° | 180.0° |
| H62 | C62 | C64 | H64 | 0.0° | 0.0° |
| C64 | C65 | C66 | C68 | 179.8° | 179.9° |
| C64 | C65 | C66 | C67 | 0.4° | 0.1° |
| C64 | C65 | C66 | H66 | 179.5° | 180.0° |
| C64 | C65 | C68 | C69 | 90.4° | 90.0° |
| C64 | C65 | C68 | H68 | 29.5° | 150.0° |
| C64 | C65 | C68 | H68A | 149.5° | 30.0° |
| H64 | C64 | C65 | C66 | 179.6° | 180.0° |
| H64 | C64 | C65 | C68 | 0.6° | 0.0° |
| C65 | C66 | C67 | H66 | 180.0° | 179.9° |
| C65 | C66 | C67 | H67 | 179.9° | 179.9° |
| C66 | C65 | C68 | C69 | 89.8° | 90.1° |
| C66 | C65 | C68 | H68 | 150.3° | 29.9° |
| C66 | C65 | C68 | H68A | 30.3° | 150.0° |
| C68 | C65 | C66 | C67 | 179.4° | 180.0° |
| C68 | C65 | C66 | H66 | 0.7° | 0.1° |
| C65 | C68 | C69 | H68 | 120.0° | 120.0° |
| C65 | C68 | C69 | H68A | 120.0° | 120.0° |
| C65 | C68 | H68 | H68A | 118.9° | 120.0° |
| C65 | C68 | C69 | N4 | 143.4° | 180.0° |
| C65 | C68 | C69 | H69 | 96.6° | 60.0° |
| C65 | C68 | C69 | H69A | 23.3° | 60.0° |
| H66 | C66 | C67 | H67 | 0.1° | 0.0° |
| C69 | C68 | H68 | H68A | 118.9° | 120.0° |
| C68 | C69 | N4 | H69 | 120.0° | 120.0° |
| C68 | C69 | N4 | H69A | 120.0° | 120.0° |
| C68 | C69 | H69 | H69A | 119.9° | 120.0° |
| C68 | C69 | N4 | C72 | 101.5° | 125.0° |
| C68 | C69 | N4 | N3 | 78.4° | 54.8° |
| H68 | C68 | C69 | N4 | 23.4° | 60.0° |
| H68 | C68 | C69 | H69 | 143.4° | 180.0° |
| H68 | C68 | C69 | H69A | 96.6° | 60.0° |
| H68A | C68 | C69 | N4 | 96.6° | 60.0° |
| H68A | C68 | C69 | H69 | 23.4° | 60.0° |
| H68A | C68 | C69 | H69A | 143.4° | 180.0° |
| N4 | C69 | H69 | H69A | 120.0° | 120.0° |
| C69 | N4 | C72 | C71 | 179.9° | 180.0° |
| C69 | N4 | C72 | N3 | 179.9° | 179.8° |
| C69 | N4 | C72 | H72 | 0.1° | 0.1° |
| C69 | N4 | N3 | N2 | 179.9° | 179.8° |
| H69 | C69 | N4 | C72 | 138.5° | 5.0° |
| H69 | C69 | N4 | N3 | 41.6° | 174.8° |
| H69A | C69 | N4 | C72 | 18.4° | 115.0° |
| H69A | C69 | N4 | N3 | 161.6° | 65.2° |
| S1 | N1 | HN1 | HN1A | 120.0° | 179.9° |
| N1 | S1 | O13 | O14 | 129.7° | 122.9° |
| HN1 | N1 | S1 | O13 | 64.5° | 113.5° |
| HN1 | N1 | S1 | O14 | 58.4° | 113.6° |
| HN1A | N1 | S1 | O13 | 175.5° | 66.4° |
| HN1A | N1 | S1 | O14 | 61.6° | 66.5° |
| C71 | C70 | H70 | H70A | 109.4° | 120.1° |
| C70 | C71 | C72 | N2 | 179.9° | 179.7° |
| C70 | C71 | C72 | N4 | 180.0° | 180.0° |
| C70 | C71 | C72 | H72 | 0.0° | 0.1° |
| C70 | C71 | N2 | N3 | 179.9° | 180.0° |
| H70 | C70 | C71 | C72 | 162.1° | 119.9° |
| H70 | C70 | C71 | N2 | 18.0° | 59.7° |
| H70A | C70 | C71 | C72 | 42.0° | 120.0° |
| H70A | C70 | C71 | N2 | 138.1° | 60.3° |
| C71 | C72 | N4 | H72 | 180.0° | 179.9° |
| C72 | C71 | N2 | N3 | 0.1° | 0.3° |
| C71 | C72 | N4 | N3 | 0.1° | 0.2° |
| N2 | C71 | C72 | N4 | 0.1° | 0.3° |
| N2 | C71 | C72 | H72 | 179.9° | 179.8° |
| C71 | N2 | N3 | N4 | 0.0° | 0.2° |
| C72 | N4 | N3 | N2 | 0.0° | 0.0° |
| H72 | C72 | N4 | N3 | 179.9° | 179.9° |
| CN5 | CT5 | HT5 | HT5A | 115.5° | 120.0° |
| CT5 | CN5 | NN7 | CN6 | 179.5° | 179.7° |
| CT5 | CN5 | CN6 | NN9 | 176.7° | 180.0° |
| CT5 | CN5 | CN6 | HN6 | 3.3° | 0.1° |
| CT5 | CN5 | NN7 | NN8 | 178.9° | 180.0° |
| HT5 | CT5 | CN5 | NN7 | 15.7° | 59.7° |
| HT5 | CT5 | CN5 | CN6 | 164.8° | 120.0° |
| HT5A | CT5 | CN5 | NN7 | 135.7° | 60.3° |
| HT5A | CT5 | CN5 | CN6 | 44.9° | 120.0° |
| NN7 | CN5 | CN6 | NN9 | 2.9° | 0.3° |
| NN7 | CN5 | CN6 | HN6 | 177.1° | 179.8° |
| CN5 | NN7 | NN8 | NN9 | 1.6° | 0.2° |
| CN5 | CN6 | NN9 | HN6 | 180.0° | 180.0° |
| CN6 | CN5 | NN7 | NN8 | 0.7° | 0.3° |
| CN5 | CN6 | NN9 | NN8 | 4.0° | 0.2° |
| CN5 | CN6 | NN9 | CI5 | 178.6° | 179.8° |
| CN6 | NN9 | NN8 | NN7 | 3.5° | 0.0° |
| CN6 | NN9 | NN8 | CI5 | 177.3° | 180.0° |
| CN6 | NN9 | CI5 | CI6 | 135.0° | 125.0° |
| CN6 | NN9 | CI5 | HI5 | 15.0° | 115.0° |
| CN6 | NN9 | CI5 | HI5A | 105.0° | 5.0° |
| HN6 | CN6 | NN9 | NN8 | 176.0° | 179.9° |
| HN6 | CN6 | NN9 | CI5 | 1.4° | 0.1° |
| NN7 | NN8 | NN9 | CI5 | 179.2° | 180.0° |
| NN8 | NN9 | CI5 | CI6 | 42.0° | 55.0° |
| NN8 | NN9 | CI5 | HI5 | 162.0° | 65.0° |
| NN8 | NN9 | CI5 | HI5A | 78.0° | 175.0° |
| NN9 | CI5 | CI6 | HI5 | 120.0° | 120.0° |
| NN9 | CI5 | CI6 | HI5A | 120.0° | 120.1° |
| NN9 | CI5 | HI5 | HI5A | 113.2° | 120.0° |
| NN9 | CI5 | CI6 | CO5 | 74.3° | 180.0° |
| NN9 | CI5 | CI6 | HI6 | 45.7° | 60.0° |
| NN9 | CI5 | CI6 | HI6A | 165.7° | 60.0° |
| CI6 | CI5 | HI5 | HI5A | 113.1° | 120.0° |
| CI5 | CI6 | CO5 | HI6 | 120.0° | 120.0° |
| CI5 | CI6 | CO5 | HI6A | 120.0° | 120.0° |
| CI5 | CI6 | HI6 | HI6A | 115.7° | 120.0° |
| CI5 | CI6 | CO5 | O51 | 0.7° | 0.0° |
| CI5 | CI6 | CO5 | O52 | 179.2° | 180.0° |
| HI5 | CI5 | CI6 | CO5 | 165.7° | 60.0° |
| HI5 | CI5 | CI6 | HI6 | 74.3° | 180.0° |
| HI5 | CI5 | CI6 | HI6A | 45.7° | 60.0° |
| HI5A | CI5 | CI6 | CO5 | 45.8° | 59.9° |
| HI5A | CI5 | CI6 | HI6 | 165.7° | 60.0° |
| HI5A | CI5 | CI6 | HI6A | 74.2° | 179.9° |
| CO5 | CI6 | HI6 | HI6A | 115.7° | 120.1° |
| CI6 | CO5 | O51 | O52 | 178.6° | 180.0° |
| CI6 | CO5 | O52 | HO52 | 178.7° | 180.0° |
| HI6 | CI6 | CO5 | O51 | 120.7° | 120.0° |
| HI6 | CI6 | CO5 | O52 | 60.9° | 60.0° |
| HI6A | CI6 | CO5 | O51 | 119.3° | 119.9° |
| HI6A | CI6 | CO5 | O52 | 59.2° | 60.0° |
| O51 | CO5 | O52 | HO52 | 0.0° | 0.0° |
| O32 | CO3 | CI4 | O31 | 179.8° | 179.9° |
| O32 | CO3 | O31 | HO31 | 0.0° | 0.1° |
| O32 | CO3 | CI4 | CI3 | 102.0° | 0.0° |
| O32 | CO3 | CI4 | HI4 | 18.0° | 120.0° |
| O32 | CO3 | CI4 | HI4A | 137.9° | 120.0° |
| CI4 | CO3 | O31 | HO31 | 179.8° | 180.0° |
| CO3 | CI4 | CI3 | HI4 | 120.0° | 119.9° |
| CO3 | CI4 | CI3 | HI4A | 120.0° | 120.0° |
| CO3 | CI4 | CI3 | NN6 | 119.5° | 180.0° |
| CO3 | CI4 | CI3 | HI3 | 0.5° | 60.1° |
| CO3 | CI4 | CI3 | HI3A | 120.5° | 60.0° |
| CO3 | CI4 | HI4 | HI4A | 115.2° | 120.0° |
| O31 | CO3 | CI4 | CI3 | 78.2° | 180.0° |
| O31 | CO3 | CI4 | HI4 | 161.8° | 60.1° |
| O31 | CO3 | CI4 | HI4A | 41.8° | 59.9° |
| CI4 | CI3 | NN6 | HI3 | 120.0° | 119.9° |
| CI4 | CI3 | NN6 | HI3A | 120.0° | 120.1° |
| CI4 | CI3 | HI3 | HI3A | 113.3° | 120.1° |
| CI3 | CI4 | HI4 | HI4A | 115.3° | 120.1° |
| CI4 | CI3 | NN6 | NN5 | 49.0° | 55.0° |
| CI4 | CI3 | NN6 | CN4 | 131.3° | 125.0° |
| NN6 | CI3 | HI3 | HI3A | 113.2° | 120.0° |
| NN6 | CI3 | CI4 | HI4 | 120.5° | 60.1° |
| NN6 | CI3 | CI4 | HI4A | 0.5° | 59.9° |
| CI3 | NN6 | NN5 | NN4 | 179.4° | 180.0° |
| CI3 | NN6 | NN5 | CN4 | 179.7° | 180.0° |
| CI3 | NN6 | CN4 | CN3 | 179.5° | 180.0° |
| CI3 | NN6 | CN4 | HN4 | 0.5° | 0.0° |
| HI3 | CI3 | CI4 | HI4 | 119.5° | 180.0° |
| HI3 | CI3 | CI4 | HI4A | 120.5° | 60.0° |
| HI3 | CI3 | NN6 | NN5 | 71.0° | 175.0° |
| HI3 | CI3 | NN6 | CN4 | 108.7° | 5.1° |
| HI3A | CI3 | CI4 | HI4 | 0.5° | 60.0° |
| HI3A | CI3 | CI4 | HI4A | 119.5° | 180.0° |
| HI3A | CI3 | NN6 | NN5 | 169.0° | 65.0° |
| HI3A | CI3 | NN6 | CN4 | 11.2° | 114.9° |
| CN3 | NN4 | NN5 | NN6 | 0.1° | 0.0° |
| NN4 | CN3 | CN4 | NN6 | 0.3° | 0.0° |
| NN4 | CN3 | CT3 | CN4 | 179.2° | 179.9° |
| NN4 | CN3 | CT3 | HT3 | 177.7° | 59.9° |
| NN4 | CN3 | CT3 | HT3A | 57.7° | 60.1° |
| NN4 | CN3 | CN4 | HN4 | 179.7° | 180.0° |
| NN4 | NN5 | NN6 | CN4 | 0.3° | 0.0° |
| NN5 | NN4 | CN3 | CT3 | 179.4° | 180.0° |
| NN5 | NN4 | CN3 | CN4 | 0.1° | 0.0° |
| NN5 | NN6 | CN4 | CN3 | 0.3° | 0.0° |
| NN5 | NN6 | CN4 | HN4 | 179.7° | 180.0° |
| NN6 | CN4 | CN3 | CT3 | 179.7° | 179.9° |
| NN6 | CN4 | CN3 | HN4 | 180.0° | 180.0° |
| CN3 | CT3 | HT3 | HT3A | 107.3° | 120.0° |
| CT3 | CN3 | CN4 | HN4 | 0.3° | 0.0° |
| HT3 | CT3 | CN3 | CN4 | 3.1° | 120.0° |
| HT3A | CT3 | CN3 | CN4 | 123.1° | 120.0° |
