OIY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N49 | C48 | sing | 1.47Å | 1.47Å | |
| C48 | C47 | sing | 1.53Å | 1.55Å | |
| C47 | C46 | sing | 1.53Å | 1.55Å | |
| C46 | C45 | sing | 1.53Å | 1.54Å | |
| N50 | C45 | sing | 1.47Å | 1.45Å | |
| C45 | C44 | sing | 1.53Å | 1.53Å | |
| C44 | C42 | sing | 1.51Å | 1.55Å | |
| C42 | O43 | doub | 1.21Å | 1.19Å | |
| C42 | N41 | sing | 1.35Å | 1.47Å | |
| N41 | C40 | sing | 1.47Å | 1.48Å | |
| C40 | C39 | sing | 1.53Å | 1.56Å | |
| C39 | C38 | sing | 1.53Å | 1.57Å | |
| C38 | C37 | sing | 1.53Å | 1.54Å | |
| O35 | C34 | doub | 1.21Å | 1.19Å | |
| C36 | C34 | sing | 1.51Å | 1.56Å | |
| C36 | C37 | sing | 1.53Å | 1.54Å | |
| C34 | N33 | sing | 1.35Å | 1.49Å | |
| N51 | C37 | sing | 1.47Å | 1.44Å | |
| N33 | C32 | sing | 1.46Å | 1.46Å | |
| O53 | C02 | sing | 1.43Å | 1.42Å | |
| N52 | C29 | sing | 1.47Å | 1.47Å | |
| C30 | C29 | sing | 1.53Å | 1.54Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C32 | C31 | sing | 1.53Å | 1.53Å | |
| C01 | C02 | sing | 1.53Å | 1.55Å | |
| C01 | N07 | sing | 1.45Å | 1.49Å | |
| C29 | C28 | sing | 1.53Å | 1.54Å | |
| C02 | C03 | sing | 1.51Å | 1.50Å | |
| C28 | C26 | sing | 1.51Å | 1.52Å | |
| N07 | C05 | sing | 1.37Å | 1.40Å | |
| C04 | C03 | sing | 1.56Å | 1.52Å | |
| C04 | C05 | sing | 1.50Å | 1.49Å | |
| C04 | N08 | sing | 1.45Å | 1.49Å | |
| C03 | N10 | sing | 1.46Å | 1.43Å | |
| C05 | O06 | doub | 1.21Å | 1.23Å | |
| N08 | C09 | doub | 1.31Å | 1.33Å | |
| N10 | C09 | sing | 1.39Å | 1.38Å | |
| C26 | N25 | sing | 1.35Å | 1.39Å | |
| C26 | O27 | doub | 1.21Å | 1.23Å | |
| N25 | C13 | sing | 1.46Å | 1.45Å | |
| C09 | N11 | sing | 1.38Å | 1.34Å | |
| N11 | C12 | sing | 1.47Å | 1.45Å | |
| O24 | C14 | sing | 1.43Å | 1.43Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C12 | O17 | sing | 1.43Å | 1.43Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| O17 | C16 | sing | 1.43Å | 1.43Å | |
| C16 | C15 | sing | 1.53Å | 1.54Å | |
| C16 | C18 | sing | 1.53Å | 1.53Å | |
| C15 | O20 | sing | 1.45Å | 1.42Å | |
| O19 | C18 | sing | 1.43Å | 1.42Å | |
| O20 | C21 | sing | 1.35Å | 1.37Å | |
| C21 | O22 | doub | 1.21Å | 1.23Å | |
| C21 | N23 | sing | 1.35Å | 1.37Å | |
| C12 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C18 | H6 | sing | 1.09Å | 1.10Å | |
| C18 | H7 | sing | 1.09Å | 1.10Å | |
| C28 | H8 | sing | 1.09Å | 1.10Å | |
| C28 | H9 | sing | 1.09Å | 1.10Å | |
| C29 | H10 | sing | 1.09Å | 1.10Å | |
| C30 | H11 | sing | 1.09Å | 1.10Å | |
| C30 | H12 | sing | 1.09Å | 1.10Å | |
| C31 | H13 | sing | 1.09Å | 1.10Å | |
| C31 | H14 | sing | 1.09Å | 1.10Å | |
| C32 | H15 | sing | 1.09Å | 1.10Å | |
| C32 | H16 | sing | 1.09Å | 1.10Å | |
| C01 | H17 | sing | 1.09Å | 1.10Å | |
| C01 | H18 | sing | 1.09Å | 1.10Å | |
| C02 | H19 | sing | 1.09Å | 1.10Å | |
| C03 | H20 | sing | 1.09Å | 1.10Å | |
| C04 | H21 | sing | 1.09Å | 1.10Å | |
| C36 | H22 | sing | 1.09Å | 1.10Å | |
| C36 | H23 | sing | 1.09Å | 1.10Å | |
| C37 | H24 | sing | 1.09Å | 1.10Å | |
| C38 | H25 | sing | 1.09Å | 1.10Å | |
| C38 | H26 | sing | 1.09Å | 1.10Å | |
| C39 | H27 | sing | 1.09Å | 1.10Å | |
| C39 | H28 | sing | 1.09Å | 1.10Å | |
| C40 | H29 | sing | 1.09Å | 1.10Å | |
| C40 | H30 | sing | 1.09Å | 1.10Å | |
| C44 | H31 | sing | 1.09Å | 1.10Å | |
| C44 | H32 | sing | 1.09Å | 1.10Å | |
| C45 | H33 | sing | 1.09Å | 1.10Å | |
| C46 | H34 | sing | 1.09Å | 1.10Å | |
| C46 | H35 | sing | 1.09Å | 1.10Å | |
| C47 | H36 | sing | 1.09Å | 1.10Å | |
| C47 | H37 | sing | 1.09Å | 1.10Å | |
| C48 | H38 | sing | 1.09Å | 1.10Å | |
| C48 | H39 | sing | 1.09Å | 1.10Å | |
| N07 | H40 | sing | 0.97Å | 1.00Å | |
| N10 | H41 | sing | 0.97Å | 1.00Å | |
| N11 | H42 | sing | 0.97Å | 1.00Å | |
| N23 | H43 | sing | 0.97Å | 1.00Å | |
| N23 | H44 | sing | 0.97Å | 1.00Å | |
| N25 | H45 | sing | 0.97Å | 1.00Å | |
| N33 | H46 | sing | 0.97Å | 1.00Å | |
| N41 | H47 | sing | 0.97Å | 1.00Å | |
| N49 | H48 | sing | 1.01Å | 1.00Å | |
| N49 | H49 | sing | 1.01Å | 1.00Å | |
| N50 | H51 | sing | 1.01Å | 1.00Å | |
| N50 | H52 | sing | 1.01Å | 1.00Å | |
| N51 | H54 | sing | 1.01Å | 1.00Å | |
| N51 | H55 | sing | 1.01Å | 1.00Å | |
| N52 | H57 | sing | 1.01Å | 1.00Å | |
| N52 | H58 | sing | 1.01Å | 1.00Å | |
| O19 | H60 | sing | 0.97Å | 0.95Å | |
| O24 | H61 | sing | 0.97Å | 0.95Å | |
| O53 | H62 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N49 | C48 | C47 | 110.4° | 109.5° |
| N49 | C48 | H38 | 109.2° | 109.5° |
| N49 | C48 | H39 | 109.2° | 109.5° |
| C48 | N49 | H48 | 109.5° | 111.0° |
| C48 | N49 | H49 | 109.5° | 111.0° |
| C48 | C47 | C46 | 112.2° | 109.5° |
| C48 | C47 | H36 | 108.8° | 109.4° |
| C48 | C47 | H37 | 108.8° | 109.5° |
| C47 | C48 | H38 | 109.2° | 109.4° |
| C47 | C48 | H39 | 109.2° | 109.5° |
| C47 | C46 | C45 | 112.1° | 109.5° |
| C47 | C46 | H34 | 108.8° | 109.5° |
| C47 | C46 | H35 | 108.8° | 109.4° |
| C46 | C47 | H36 | 108.8° | 109.5° |
| C46 | C47 | H37 | 108.8° | 109.5° |
| C46 | C45 | N50 | 109.6° | 109.4° |
| C46 | C45 | C44 | 109.4° | 109.5° |
| C46 | C45 | H33 | 109.0° | 109.4° |
| C45 | C46 | H34 | 108.8° | 109.5° |
| C45 | C46 | H35 | 108.8° | 109.5° |
| N50 | C45 | C44 | 109.7° | 109.5° |
| N50 | C45 | H33 | 110.2° | 109.4° |
| C45 | N50 | H51 | 109.5° | 111.0° |
| C45 | N50 | H52 | 109.5° | 111.0° |
| C45 | C44 | C42 | 112.1° | 109.5° |
| C45 | C44 | H31 | 108.8° | 109.5° |
| C45 | C44 | H32 | 108.8° | 109.5° |
| C44 | C45 | H33 | 109.0° | 109.5° |
| C44 | C42 | O43 | 120.2° | 120.0° |
| C44 | C42 | N41 | 119.9° | 120.0° |
| C42 | C44 | H31 | 108.8° | 109.5° |
| C42 | C44 | H32 | 108.8° | 109.5° |
| O43 | C42 | N41 | 120.0° | 120.0° |
| C42 | N41 | C40 | 120.5° | 120.0° |
| C42 | N41 | H47 | 119.8° | 120.0° |
| N41 | C40 | C39 | 109.4° | 109.5° |
| N41 | C40 | H29 | 109.5° | 109.4° |
| N41 | C40 | H30 | 109.5° | 109.5° |
| C40 | N41 | H47 | 119.7° | 120.0° |
| C40 | C39 | C38 | 112.5° | 109.5° |
| C40 | C39 | H27 | 108.7° | 109.4° |
| C40 | C39 | H28 | 108.7° | 109.5° |
| C39 | C40 | H29 | 109.5° | 109.5° |
| C39 | C40 | H30 | 109.5° | 109.4° |
| C39 | C38 | C37 | 112.1° | 109.5° |
| C39 | C38 | H25 | 108.8° | 109.5° |
| C39 | C38 | H26 | 108.8° | 109.5° |
| C38 | C39 | H27 | 108.7° | 109.5° |
| C38 | C39 | H28 | 108.7° | 109.5° |
| C38 | C37 | C36 | 109.1° | 109.5° |
| C38 | C37 | N51 | 109.5° | 109.4° |
| C38 | C37 | H24 | 109.1° | 109.5° |
| C37 | C38 | H25 | 108.8° | 109.5° |
| C37 | C38 | H26 | 108.8° | 109.4° |
| O35 | C34 | C36 | 119.8° | 120.0° |
| O35 | C34 | N33 | 119.6° | 120.0° |
| C34 | C36 | C37 | 112.4° | 109.5° |
| C36 | C34 | N33 | 120.7° | 120.0° |
| C34 | C36 | H22 | 108.7° | 109.4° |
| C34 | C36 | H23 | 108.7° | 109.5° |
| C36 | C37 | N51 | 109.6° | 109.5° |
| C37 | C36 | H22 | 108.7° | 109.5° |
| C37 | C36 | H23 | 108.7° | 109.5° |
| C36 | C37 | H24 | 109.1° | 109.5° |
| C34 | N33 | C32 | 119.1° | 120.0° |
| C34 | N33 | H46 | 120.5° | 120.0° |
| N51 | C37 | H24 | 110.4° | 109.4° |
| C37 | N51 | H54 | 109.5° | 111.0° |
| C37 | N51 | H55 | 109.4° | 111.0° |
| N33 | C32 | C31 | 110.4° | 109.4° |
| N33 | C32 | H15 | 109.2° | 109.5° |
| N33 | C32 | H16 | 109.2° | 109.5° |
| C32 | N33 | H46 | 120.5° | 120.0° |
| O53 | C02 | C01 | 108.7° | 109.5° |
| O53 | C02 | C03 | 112.1° | 109.5° |
| O53 | C02 | H19 | 111.6° | 109.6° |
| C02 | O53 | H62 | 109.5° | 114.0° |
| N52 | C29 | C30 | 108.7° | 109.5° |
| N52 | C29 | C28 | 109.0° | 109.5° |
| N52 | C29 | H10 | 109.9° | 109.5° |
| C29 | N52 | H57 | 109.5° | 111.0° |
| C29 | N52 | H58 | 109.5° | 111.0° |
| C29 | C30 | C31 | 116.2° | 109.4° |
| C30 | C29 | C28 | 111.5° | 109.4° |
| C30 | C29 | H10 | 108.9° | 109.5° |
| C29 | C30 | H11 | 107.8° | 109.5° |
| C29 | C30 | H12 | 107.7° | 109.5° |
| C30 | C31 | C32 | 113.1° | 109.4° |
| C31 | C30 | H11 | 107.8° | 109.5° |
| C31 | C30 | H12 | 107.8° | 109.5° |
| C30 | C31 | H13 | 108.5° | 109.5° |
| C30 | C31 | H14 | 108.5° | 109.5° |
| C32 | C31 | H13 | 108.6° | 109.4° |
| C32 | C31 | H14 | 108.6° | 109.5° |
| C31 | C32 | H15 | 109.3° | 109.4° |
| C31 | C32 | H16 | 109.2° | 109.5° |
| C02 | C01 | N07 | 117.3° | 114.9° |
| C01 | C02 | C03 | 103.9° | 109.2° |
| C02 | C01 | H17 | 107.5° | 108.4° |
| C02 | C01 | H18 | 107.5° | 108.4° |
| C01 | C02 | H19 | 109.8° | 109.5° |
| C01 | N07 | C05 | 126.4° | 123.1° |
| N07 | C01 | H17 | 107.5° | 108.4° |
| N07 | C01 | H18 | 107.5° | 108.4° |
| C01 | N07 | H40 | 116.8° | 118.5° |
| C29 | C28 | C26 | 114.0° | 109.5° |
| C29 | C28 | H8 | 108.3° | 109.5° |
| C29 | C28 | H9 | 108.3° | 109.5° |
| C28 | C29 | H10 | 108.9° | 109.5° |
| C02 | C03 | C04 | 107.0° | 106.3° |
| C02 | C03 | N10 | 123.7° | 119.3° |
| C03 | C02 | H19 | 110.4° | 109.5° |
| C02 | C03 | H20 | 107.3° | 110.1° |
| C28 | C26 | N25 | 111.6° | 120.0° |
| C28 | C26 | O27 | 123.2° | 120.0° |
| C26 | C28 | H8 | 108.3° | 109.5° |
| C26 | C28 | H9 | 108.4° | 109.5° |
| N07 | C05 | C04 | 107.1° | 113.2° |
| N07 | C05 | O06 | 126.7° | 123.4° |
| C05 | N07 | H40 | 116.8° | 118.5° |
| C03 | C04 | C05 | 106.6° | 103.4° |
| C03 | C04 | N08 | 108.9° | 101.1° |
| C04 | C03 | N10 | 102.6° | 99.4° |
| C04 | C03 | H20 | 107.1° | 110.8° |
| C03 | C04 | H21 | 105.0° | 110.7° |
| C05 | C04 | N08 | 124.3° | 118.8° |
| C04 | C05 | O06 | 126.2° | 123.4° |
| C05 | C04 | H21 | 105.3° | 110.5° |
| C04 | N08 | C09 | 102.3° | 108.3° |
| N08 | C04 | H21 | 105.3° | 111.3° |
| C03 | N10 | C09 | 107.7° | 104.2° |
| N10 | C03 | H20 | 108.1° | 110.2° |
| C03 | N10 | H41 | 126.2° | 127.9° |
| N08 | C09 | N10 | 117.9° | 112.6° |
| N08 | C09 | N11 | 125.2° | 123.7° |
| N10 | C09 | N11 | 116.8° | 123.7° |
| C09 | N10 | H41 | 126.1° | 127.9° |
| N25 | C26 | O27 | 125.2° | 120.0° |
| C26 | N25 | C13 | 123.3° | 120.0° |
| C26 | N25 | H45 | 118.3° | 119.9° |
| N25 | C13 | C12 | 112.0° | 109.5° |
| N25 | C13 | C14 | 110.9° | 109.6° |
| N25 | C13 | H2 | 108.5° | 109.6° |
| C13 | N25 | H45 | 118.3° | 120.0° |
| C09 | N11 | C12 | 123.9° | 120.0° |
| C09 | N11 | H42 | 118.1° | 120.0° |
| N11 | C12 | C13 | 109.6° | 109.5° |
| N11 | C12 | O17 | 109.4° | 109.5° |
| N11 | C12 | H1 | 109.7° | 109.5° |
| C12 | N11 | H42 | 118.1° | 120.0° |
| O24 | C14 | C13 | 109.5° | 109.5° |
| O24 | C14 | C15 | 108.7° | 109.6° |
| O24 | C14 | H3 | 110.3° | 109.6° |
| C14 | O24 | H61 | 109.5° | 114.0° |
| C13 | C12 | O17 | 109.6° | 109.4° |
| C12 | C13 | C14 | 110.4° | 109.1° |
| C13 | C12 | H1 | 108.5° | 109.5° |
| C12 | C13 | H2 | 107.4° | 109.5° |
| C12 | O17 | C16 | 113.7° | 114.1° |
| O17 | C12 | H1 | 110.0° | 109.5° |
| C13 | C14 | C15 | 110.7° | 109.0° |
| C14 | C13 | H2 | 107.4° | 109.5° |
| C13 | C14 | H3 | 108.8° | 109.6° |
| C14 | C15 | C16 | 111.3° | 109.2° |
| C14 | C15 | O20 | 109.1° | 109.5° |
| C15 | C14 | H3 | 108.9° | 109.6° |
| C14 | C15 | H4 | 108.5° | 109.5° |
| O17 | C16 | C15 | 111.2° | 109.4° |
| O17 | C16 | C18 | 107.0° | 109.5° |
| O17 | C16 | H5 | 109.8° | 109.5° |
| C15 | C16 | C18 | 111.9° | 109.5° |
| C16 | C15 | O20 | 109.6° | 109.5° |
| C16 | C15 | H4 | 108.4° | 109.6° |
| C15 | C16 | H5 | 108.4° | 109.5° |
| C16 | C18 | O19 | 108.6° | 109.5° |
| C18 | C16 | H5 | 108.5° | 109.5° |
| C16 | C18 | H6 | 109.7° | 109.4° |
| C16 | C18 | H7 | 109.7° | 109.5° |
| C15 | O20 | C21 | 116.0° | 117.0° |
| O20 | C15 | H4 | 109.9° | 109.5° |
| O19 | C18 | H6 | 109.7° | 109.4° |
| O19 | C18 | H7 | 109.7° | 109.5° |
| C18 | O19 | H60 | 109.5° | 114.0° |
| O20 | C21 | O22 | 125.1° | 120.0° |
| O20 | C21 | N23 | 110.6° | 119.9° |
| O22 | C21 | N23 | 124.3° | 120.0° |
| C21 | N23 | H43 | 120.0° | 120.0° |
| C21 | N23 | H44 | 120.0° | 120.0° |
| H6 | C18 | H7 | 109.5° | 109.5° |
| H8 | C28 | H9 | 109.5° | 109.5° |
| H11 | C30 | H12 | 109.5° | 109.5° |
| H13 | C31 | H14 | 109.5° | 109.5° |
| H15 | C32 | H16 | 109.5° | 109.5° |
| H17 | C01 | H18 | 109.4° | 108.2° |
| H22 | C36 | H23 | 109.5° | 109.5° |
| H25 | C38 | H26 | 109.5° | 109.4° |
| H27 | C39 | H28 | 109.5° | 109.5° |
| H29 | C40 | H30 | 109.5° | 109.5° |
| H31 | C44 | H32 | 109.5° | 109.4° |
| H34 | C46 | H35 | 109.5° | 109.5° |
| H36 | C47 | H37 | 109.5° | 109.5° |
| H38 | C48 | H39 | 109.5° | 109.4° |
| H43 | N23 | H44 | 120.0° | 120.0° |
| H48 | N49 | H49 | 109.4° | 111.0° |
| H51 | N50 | H52 | 109.5° | 111.0° |
| H54 | N51 | H55 | 109.5° | 111.0° |
| H57 | N52 | H58 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N49 | C48 | C47 | H38 | 120.1° | 120.0° |
| N49 | C48 | C47 | H39 | 120.1° | 120.1° |
| N49 | C48 | C47 | C46 | 176.6° | 180.0° |
| N49 | C48 | C47 | H36 | 56.2° | 60.0° |
| N49 | C48 | C47 | H37 | 63.0° | 59.9° |
| N49 | C48 | H38 | H39 | 119.6° | 120.0° |
| C48 | N49 | H48 | H49 | 120.0° | 124.0° |
| C48 | C47 | C46 | H36 | 120.4° | 119.9° |
| C48 | C47 | C46 | H37 | 120.4° | 120.0° |
| C48 | C47 | C46 | C45 | 168.0° | 180.0° |
| C48 | C47 | C46 | H34 | 47.6° | 60.0° |
| C48 | C47 | C46 | H35 | 71.6° | 60.0° |
| C48 | C47 | H36 | H37 | 118.8° | 120.0° |
| C47 | C48 | H38 | H39 | 119.6° | 120.0° |
| C47 | C48 | N49 | H48 | 180.0° | 56.0° |
| C47 | C48 | N49 | H49 | 60.0° | 180.0° |
| C47 | C46 | C45 | H34 | 120.4° | 120.0° |
| C47 | C46 | C45 | H35 | 120.4° | 120.0° |
| C47 | C46 | C45 | N50 | 78.0° | 64.9° |
| C47 | C46 | C45 | C44 | 161.7° | 175.0° |
| C47 | C46 | C45 | H33 | 42.6° | 55.0° |
| C47 | C46 | H34 | H35 | 118.8° | 120.0° |
| C46 | C47 | H36 | H37 | 118.8° | 120.1° |
| C46 | C47 | C48 | H38 | 63.3° | 60.0° |
| C46 | C47 | C48 | H39 | 56.4° | 59.9° |
| C46 | C45 | N50 | C44 | 120.1° | 120.1° |
| C46 | C45 | N50 | H33 | 119.9° | 119.9° |
| C46 | C45 | C44 | H33 | 119.1° | 120.0° |
| C46 | C45 | C44 | C42 | 169.3° | 175.0° |
| C46 | C45 | C44 | H31 | 48.9° | 65.0° |
| C46 | C45 | C44 | H32 | 70.3° | 55.0° |
| C45 | C46 | H34 | H35 | 118.8° | 120.0° |
| C45 | C46 | C47 | H36 | 71.6° | 60.0° |
| C45 | C46 | C47 | H37 | 47.6° | 60.0° |
| C46 | C45 | N50 | H51 | 180.0° | 176.1° |
| C46 | C45 | N50 | H52 | 60.0° | 60.0° |
| N50 | C45 | C44 | H33 | 120.7° | 120.0° |
| N50 | C45 | C44 | C42 | 70.5° | 65.0° |
| N50 | C45 | C44 | H31 | 169.1° | 55.1° |
| N50 | C45 | C44 | H32 | 49.9° | 175.0° |
| N50 | C45 | C46 | H34 | 161.6° | 55.1° |
| N50 | C45 | C46 | H35 | 42.4° | 175.1° |
| C45 | N50 | H51 | H52 | 120.0° | 123.9° |
| C45 | C44 | C42 | H31 | 120.4° | 120.0° |
| C45 | C44 | C42 | H32 | 120.4° | 120.0° |
| C45 | C44 | C42 | O43 | 31.8° | 0.0° |
| C45 | C44 | C42 | N41 | 148.2° | 180.0° |
| C45 | C44 | H31 | H32 | 118.8° | 120.0° |
| C44 | C45 | C46 | H34 | 41.3° | 65.0° |
| C44 | C45 | C46 | H35 | 77.9° | 55.0° |
| C44 | C45 | N50 | H51 | 59.9° | 63.9° |
| C44 | C45 | N50 | H52 | 60.1° | 60.0° |
| C44 | C42 | O43 | N41 | 180.0° | 180.0° |
| C44 | C42 | N41 | C40 | 179.9° | 180.0° |
| C42 | C44 | H31 | H32 | 118.8° | 120.0° |
| C42 | C44 | C45 | H33 | 50.2° | 55.0° |
| C44 | C42 | N41 | H47 | 0.1° | 0.1° |
| O43 | C42 | N41 | C40 | 0.1° | 0.0° |
| O43 | C42 | C44 | H31 | 152.2° | 120.0° |
| O43 | C42 | C44 | H32 | 88.6° | 120.0° |
| O43 | C42 | N41 | H47 | 179.9° | 179.9° |
| C42 | N41 | C40 | H47 | 180.0° | 179.9° |
| C42 | N41 | C40 | C39 | 168.3° | 180.0° |
| C42 | N41 | C40 | H29 | 71.7° | 60.0° |
| C42 | N41 | C40 | H30 | 48.3° | 60.0° |
| N41 | C42 | C44 | H31 | 27.8° | 60.0° |
| N41 | C42 | C44 | H32 | 91.4° | 60.0° |
| N41 | C40 | C39 | H29 | 120.0° | 120.0° |
| N41 | C40 | C39 | H30 | 120.0° | 120.0° |
| N41 | C40 | C39 | C38 | 156.8° | 180.0° |
| N41 | C40 | C39 | H27 | 36.4° | 60.0° |
| N41 | C40 | C39 | H28 | 82.7° | 59.9° |
| N41 | C40 | H29 | H30 | 120.0° | 120.0° |
| C40 | C39 | C38 | H27 | 120.5° | 120.0° |
| C40 | C39 | C38 | H28 | 120.5° | 120.0° |
| C40 | C39 | C38 | C37 | 138.3° | 180.0° |
| C40 | C39 | C38 | H25 | 101.3° | 59.9° |
| C40 | C39 | C38 | H26 | 18.0° | 60.0° |
| C40 | C39 | H27 | H28 | 118.7° | 119.9° |
| C39 | C40 | H29 | H30 | 120.1° | 120.0° |
| C39 | C40 | N41 | H47 | 11.7° | 0.1° |
| C39 | C38 | C37 | H25 | 120.4° | 120.1° |
| C39 | C38 | C37 | H26 | 120.4° | 120.0° |
| C39 | C38 | C37 | C36 | 41.9° | 175.0° |
| C39 | C38 | C37 | N51 | 78.1° | 65.0° |
| C39 | C38 | C37 | H24 | 161.0° | 54.9° |
| C39 | C38 | H25 | H26 | 118.8° | 120.0° |
| C38 | C39 | H27 | H28 | 118.6° | 120.0° |
| C38 | C39 | C40 | H29 | 83.2° | 60.0° |
| C38 | C39 | C40 | H30 | 36.9° | 60.0° |
| C38 | C37 | C36 | C34 | 169.6° | 175.1° |
| C38 | C37 | C36 | N51 | 119.9° | 119.9° |
| C38 | C37 | C36 | H24 | 119.1° | 120.1° |
| C38 | C37 | N51 | H24 | 120.2° | 119.9° |
| C38 | C37 | C36 | H22 | 49.2° | 65.0° |
| C38 | C37 | C36 | H23 | 70.0° | 55.0° |
| C37 | C38 | H25 | H26 | 118.8° | 119.9° |
| C37 | C38 | C39 | H27 | 17.9° | 60.0° |
| C37 | C38 | C39 | H28 | 101.2° | 60.0° |
| C38 | C37 | N51 | H54 | 180.0° | 176.0° |
| C38 | C37 | N51 | H55 | 60.0° | 60.0° |
| O35 | C34 | C36 | N33 | 180.0° | 179.9° |
| O35 | C34 | C36 | C37 | 110.4° | 0.1° |
| O35 | C34 | N33 | C32 | 0.1° | 0.0° |
| O35 | C34 | C36 | H22 | 10.0° | 120.0° |
| O35 | C34 | C36 | H23 | 129.2° | 120.0° |
| O35 | C34 | N33 | H46 | 180.0° | 179.9° |
| C34 | C36 | C37 | H22 | 120.4° | 119.9° |
| C34 | C36 | C37 | H23 | 120.4° | 120.0° |
| C34 | C36 | C37 | N51 | 49.7° | 65.0° |
| C36 | C34 | N33 | C32 | 179.9° | 180.0° |
| C34 | C36 | H22 | H23 | 118.7° | 120.0° |
| C34 | C36 | C37 | H24 | 71.3° | 55.0° |
| C36 | C34 | N33 | H46 | 0.0° | 0.0° |
| C37 | C36 | C34 | N33 | 69.6° | 180.0° |
| C36 | C37 | N51 | H24 | 120.2° | 120.0° |
| C37 | C36 | H22 | H23 | 118.7° | 120.0° |
| C36 | C37 | C38 | H25 | 162.3° | 64.9° |
| C36 | C37 | C38 | H26 | 78.5° | 55.0° |
| C36 | C37 | N51 | H54 | 60.4° | 64.0° |
| C36 | C37 | N51 | H55 | 59.7° | 60.0° |
| C34 | N33 | C32 | H46 | 180.0° | 179.9° |
| C34 | N33 | C32 | C31 | 133.4° | 180.0° |
| C34 | N33 | C32 | H15 | 13.3° | 60.0° |
| C34 | N33 | C32 | H16 | 106.4° | 60.0° |
| N33 | C34 | C36 | H22 | 170.0° | 60.0° |
| N33 | C34 | C36 | H23 | 50.8° | 60.0° |
| N51 | C37 | C36 | H22 | 70.7° | 54.9° |
| N51 | C37 | C36 | H23 | 170.1° | 175.0° |
| N51 | C37 | C38 | H25 | 42.3° | 55.1° |
| N51 | C37 | C38 | H26 | 161.6° | 175.0° |
| C37 | N51 | H54 | H55 | 120.0° | 124.0° |
| N33 | C32 | C31 | C30 | 105.5° | 180.0° |
| N33 | C32 | C31 | H15 | 120.1° | 120.0° |
| N33 | C32 | C31 | H16 | 120.1° | 120.0° |
| N33 | C32 | C31 | H13 | 15.0° | 60.0° |
| N33 | C32 | C31 | H14 | 133.9° | 60.0° |
| N33 | C32 | H15 | H16 | 119.5° | 120.0° |
| O53 | C02 | C01 | C03 | 119.6° | 119.9° |
| O53 | C02 | C01 | H19 | 122.3° | 120.2° |
| O53 | C02 | C01 | N07 | 108.9° | 121.4° |
| O53 | C02 | C03 | H19 | 125.1° | 120.2° |
| O53 | C02 | C03 | C04 | 59.1° | 68.7° |
| O53 | C02 | C03 | N10 | 59.5° | 42.4° |
| O53 | C02 | C01 | H17 | 12.3° | 0.0° |
| O53 | C02 | C01 | H18 | 130.0° | 117.2° |
| O53 | C02 | C03 | H20 | 173.7° | 171.2° |
| N52 | C29 | C30 | C28 | 120.1° | 120.0° |
| N52 | C29 | C30 | H10 | 119.7° | 120.0° |
| N52 | C29 | C30 | C31 | 158.7° | 65.0° |
| N52 | C29 | C28 | H10 | 119.9° | 120.0° |
| N52 | C29 | C28 | C26 | 146.2° | 65.0° |
| N52 | C29 | C28 | H8 | 93.1° | 55.0° |
| N52 | C29 | C28 | H9 | 25.5° | 175.0° |
| N52 | C29 | C30 | H11 | 37.7° | 55.0° |
| N52 | C29 | C30 | H12 | 80.3° | 175.0° |
| C29 | N52 | H57 | H58 | 120.0° | 124.0° |
| C29 | C30 | C31 | H11 | 121.0° | 120.0° |
| C29 | C30 | C31 | H12 | 121.0° | 120.0° |
| C29 | C30 | C31 | C32 | 143.1° | 180.0° |
| C30 | C29 | C28 | H10 | 120.1° | 120.0° |
| C30 | C29 | C28 | C26 | 93.8° | 175.0° |
| C30 | C29 | C28 | H8 | 26.9° | 65.0° |
| C30 | C29 | C28 | H9 | 145.5° | 55.0° |
| C29 | C30 | H11 | H12 | 116.9° | 120.0° |
| C29 | C30 | C31 | H13 | 96.4° | 60.0° |
| C29 | C30 | C31 | H14 | 22.5° | 60.0° |
| C30 | C29 | N52 | H57 | 180.0° | 176.0° |
| C30 | C29 | N52 | H58 | 60.0° | 60.0° |
| C30 | C31 | C32 | H13 | 120.5° | 120.0° |
| C30 | C31 | C32 | H14 | 120.5° | 120.0° |
| C31 | C30 | C29 | C28 | 81.2° | 175.0° |
| C31 | C30 | C29 | H10 | 39.0° | 55.0° |
| C31 | C30 | H11 | H12 | 117.0° | 120.0° |
| C30 | C31 | H13 | H14 | 118.3° | 120.0° |
| C30 | C31 | C32 | H15 | 14.6° | 60.0° |
| C30 | C31 | C32 | H16 | 134.3° | 60.0° |
| C32 | C31 | C30 | H11 | 22.1° | 60.0° |
| C32 | C31 | C30 | H12 | 96.0° | 60.0° |
| C32 | C31 | H13 | H14 | 118.4° | 120.0° |
| C31 | C32 | H15 | H16 | 119.6° | 120.0° |
| C31 | C32 | N33 | H46 | 46.6° | 0.0° |
| C02 | C01 | N07 | H17 | 121.1° | 121.4° |
| C02 | C01 | N07 | H18 | 121.2° | 121.4° |
| C01 | C02 | C03 | H19 | 117.7° | 119.9° |
| C02 | C01 | N07 | C05 | 20.5° | 35.8° |
| C01 | C02 | C03 | C04 | 58.1° | 51.2° |
| C01 | C02 | C03 | N10 | 176.7° | 162.3° |
| C02 | C01 | H17 | H18 | 116.5° | 117.3° |
| C01 | C02 | C03 | H20 | 56.5° | 68.9° |
| C02 | C01 | N07 | H40 | 159.5° | 144.2° |
| C01 | C02 | O53 | H62 | 180.0° | 60.0° |
| N07 | C01 | C02 | C03 | 10.7° | 1.5° |
| C01 | N07 | C05 | H40 | 180.0° | 180.0° |
| C01 | N07 | C05 | C04 | 0.6° | 8.7° |
| C01 | N07 | C05 | O06 | 179.9° | 171.3° |
| N07 | C01 | H17 | H18 | 116.4° | 117.3° |
| N07 | C01 | C02 | H19 | 128.8° | 118.4° |
| C29 | C28 | C26 | H8 | 120.7° | 120.0° |
| C29 | C28 | C26 | H9 | 120.7° | 120.0° |
| C29 | C28 | C26 | N25 | 136.1° | 180.0° |
| C29 | C28 | C26 | O27 | 44.0° | 0.0° |
| C29 | C28 | H8 | H9 | 117.9° | 120.1° |
| C28 | C29 | C30 | H11 | 157.8° | 65.0° |
| C28 | C29 | C30 | H12 | 39.8° | 55.0° |
| C28 | C29 | N52 | H57 | 58.3° | 64.0° |
| C28 | C29 | N52 | H58 | 61.7° | 60.0° |
| C02 | C03 | C04 | N10 | 131.5° | 124.4° |
| C02 | C03 | C04 | H20 | 114.8° | 119.7° |
| C02 | C03 | C04 | C05 | 84.9° | 77.3° |
| C02 | C03 | C04 | N08 | 138.8° | 159.2° |
| C02 | C03 | N10 | H20 | 126.4° | 128.8° |
| C02 | C03 | N10 | C09 | 126.3° | 150.2° |
| C03 | C02 | C01 | H17 | 131.8° | 119.9° |
| C03 | C02 | C01 | H18 | 110.4° | 122.9° |
| C02 | C03 | C04 | H21 | 26.5° | 41.1° |
| C02 | C03 | N10 | H41 | 53.6° | 29.7° |
| C03 | C02 | O53 | H62 | 65.8° | 179.7° |
| C28 | C26 | N25 | O27 | 179.9° | 180.0° |
| C28 | C26 | N25 | C13 | 179.8° | 180.0° |
| C26 | C28 | H8 | H9 | 118.0° | 120.0° |
| C26 | C28 | C29 | H10 | 26.3° | 55.0° |
| C28 | C26 | N25 | H45 | 0.2° | 0.1° |
| N07 | C05 | C04 | C03 | 49.1° | 45.6° |
| N07 | C05 | C04 | O06 | 179.5° | 180.0° |
| N07 | C05 | C04 | N08 | 176.8° | 156.5° |
| C05 | N07 | C01 | H17 | 100.6° | 85.6° |
| C05 | N07 | C01 | H18 | 141.7° | 157.2° |
| N07 | C05 | C04 | H21 | 62.1° | 73.0° |
| C03 | C04 | C05 | N08 | 127.7° | 110.9° |
| C03 | C04 | C05 | H21 | 111.2° | 118.6° |
| C03 | C04 | N08 | H21 | 112.1° | 117.7° |
| C04 | C03 | N10 | H20 | 113.0° | 116.4° |
| C03 | C04 | C05 | O06 | 131.4° | 134.4° |
| C03 | C04 | N08 | C09 | 6.0° | 22.2° |
| C04 | C03 | N10 | C09 | 5.7° | 35.4° |
| C04 | C03 | C02 | H19 | 175.8° | 171.1° |
| C04 | C03 | N10 | H41 | 174.2° | 144.5° |
| C05 | C04 | N08 | H21 | 121.1° | 130.1° |
| C05 | C04 | C03 | N10 | 143.6° | 158.2° |
| C05 | C04 | N08 | C09 | 132.7° | 134.4° |
| C05 | C04 | C03 | H20 | 29.8° | 42.3° |
| C04 | C05 | N07 | H40 | 179.4° | 171.3° |
| N08 | C04 | C03 | N10 | 7.3° | 34.7° |
| N08 | C04 | C05 | O06 | 3.7° | 23.4° |
| C04 | N08 | C09 | N10 | 2.4° | 0.1° |
| C04 | N08 | C09 | N11 | 177.9° | 179.8° |
| N08 | C04 | C03 | H20 | 106.5° | 81.2° |
| C03 | N10 | C09 | N08 | 2.4° | 24.5° |
| C03 | N10 | C09 | H41 | 180.0° | 179.9° |
| C03 | N10 | C09 | N11 | 177.4° | 155.4° |
| N10 | C03 | C02 | H19 | 65.6° | 77.8° |
| N10 | C03 | C04 | H21 | 105.1° | 83.4° |
| O06 | C05 | C04 | H21 | 117.4° | 107.1° |
| O06 | C05 | N07 | H40 | 0.1° | 8.6° |
| N08 | C09 | N10 | N11 | 179.8° | 179.9° |
| N08 | C09 | N11 | C12 | 178.8° | 0.0° |
| C09 | N08 | C04 | H21 | 106.2° | 95.4° |
| N08 | C09 | N10 | H41 | 177.6° | 155.4° |
| N08 | C09 | N11 | H42 | 1.1° | 180.0° |
| N10 | C09 | N11 | C12 | 0.9° | 179.9° |
| C09 | N10 | C03 | H20 | 107.2° | 81.0° |
| N10 | C09 | N11 | H42 | 179.1° | 0.1° |
| C26 | N25 | C13 | H45 | 180.0° | 179.9° |
| C26 | N25 | C13 | C12 | 118.0° | 85.0° |
| C26 | N25 | C13 | C14 | 118.1° | 155.3° |
| C26 | N25 | C13 | H2 | 0.4° | 35.1° |
| N25 | C26 | C28 | H8 | 15.5° | 60.0° |
| N25 | C26 | C28 | H9 | 103.2° | 60.0° |
| O27 | C26 | N25 | C13 | 0.4° | 0.0° |
| O27 | C26 | C28 | H8 | 164.7° | 120.0° |
| O27 | C26 | C28 | H9 | 76.7° | 120.1° |
| O27 | C26 | N25 | H45 | 179.6° | 179.9° |
| N25 | C13 | C12 | N11 | 58.5° | 62.5° |
| N25 | C13 | C14 | O24 | 57.3° | 57.0° |
| N25 | C13 | C12 | C14 | 124.2° | 119.9° |
| N25 | C13 | C12 | H2 | 119.1° | 120.2° |
| N25 | C13 | C12 | O17 | 178.5° | 177.5° |
| N25 | C13 | C14 | H2 | 118.4° | 120.2° |
| N25 | C13 | C14 | C15 | 177.2° | 176.9° |
| N25 | C13 | C12 | H1 | 61.3° | 57.5° |
| N25 | C13 | C14 | H3 | 63.3° | 63.2° |
| C09 | N11 | C12 | H42 | 180.0° | 180.0° |
| C09 | N11 | C12 | C13 | 154.7° | 145.0° |
| C09 | N11 | C12 | O17 | 85.1° | 95.0° |
| C09 | N11 | C12 | H1 | 35.7° | 25.0° |
| N11 | C09 | N10 | H41 | 2.6° | 24.7° |
| N11 | C12 | C13 | O17 | 120.1° | 120.0° |
| N11 | C12 | C13 | H1 | 119.8° | 120.0° |
| N11 | C12 | O17 | H1 | 120.6° | 120.0° |
| N11 | C12 | C13 | C14 | 177.3° | 177.6° |
| N11 | C12 | O17 | C16 | 178.0° | 178.9° |
| N11 | C12 | C13 | H2 | 60.6° | 57.7° |
| O24 | C14 | C13 | C12 | 67.5° | 62.9° |
| O24 | C14 | C13 | C15 | 119.8° | 119.9° |
| O24 | C14 | C13 | H3 | 120.6° | 120.2° |
| O24 | C14 | C15 | H3 | 120.2° | 120.3° |
| O24 | C14 | C15 | C16 | 70.5° | 62.9° |
| O24 | C14 | C15 | O20 | 168.4° | 177.2° |
| O24 | C14 | C13 | H2 | 175.8° | 177.2° |
| O24 | C14 | C15 | H4 | 48.6° | 57.1° |
| C13 | C12 | O17 | H1 | 119.3° | 120.0° |
| C12 | C13 | C14 | H2 | 116.8° | 119.9° |
| C12 | C13 | C14 | C15 | 52.3° | 56.9° |
| C13 | C12 | O17 | C16 | 61.8° | 61.1° |
| C12 | C13 | C14 | H3 | 171.9° | 176.9° |
| C13 | C12 | N11 | H42 | 25.3° | 35.0° |
| C12 | C13 | N25 | H45 | 62.0° | 95.1° |
| O17 | C12 | C13 | C14 | 57.3° | 57.6° |
| C12 | O17 | C16 | C15 | 59.4° | 61.1° |
| C12 | O17 | C16 | C18 | 178.1° | 178.9° |
| O17 | C12 | C13 | H2 | 59.5° | 62.3° |
| C12 | O17 | C16 | H5 | 60.5° | 58.8° |
| O17 | C12 | N11 | H42 | 94.9° | 85.0° |
| C13 | C14 | C15 | H3 | 119.5° | 119.9° |
| C13 | C14 | C15 | C16 | 49.7° | 57.0° |
| C13 | C14 | C15 | O20 | 71.3° | 63.0° |
| C14 | C13 | C12 | H1 | 62.9° | 62.4° |
| C13 | C14 | C15 | H4 | 168.9° | 176.9° |
| C14 | C13 | N25 | H45 | 61.9° | 24.6° |
| C13 | C14 | O24 | H61 | 180.0° | 180.0° |
| C14 | C15 | C16 | O17 | 52.2° | 57.6° |
| C14 | C15 | C16 | O20 | 120.8° | 119.9° |
| C14 | C15 | C16 | H4 | 119.3° | 120.0° |
| C14 | C15 | C16 | C18 | 171.8° | 177.6° |
| C14 | C15 | O20 | H4 | 118.9° | 120.1° |
| C14 | C15 | O20 | C21 | 111.6° | 150.0° |
| C15 | C14 | C13 | H2 | 64.4° | 62.9° |
| C14 | C15 | C16 | H5 | 68.6° | 62.4° |
| C15 | C14 | O24 | H61 | 59.0° | 60.5° |
| O17 | C16 | C15 | C18 | 119.6° | 120.0° |
| O17 | C16 | C15 | H5 | 120.8° | 120.0° |
| O17 | C16 | C18 | H5 | 118.4° | 120.0° |
| O17 | C16 | C15 | O20 | 68.6° | 62.3° |
| O17 | C16 | C18 | O19 | 105.0° | 65.1° |
| C16 | O17 | C12 | H1 | 57.4° | 58.8° |
| O17 | C16 | C15 | H4 | 171.4° | 177.5° |
| O17 | C16 | C18 | H6 | 135.1° | 175.0° |
| O17 | C16 | C18 | H7 | 14.8° | 55.0° |
| C15 | C16 | C18 | H5 | 119.6° | 120.0° |
| C16 | C15 | O20 | H4 | 119.0° | 120.2° |
| C15 | C16 | C18 | O19 | 133.0° | 175.0° |
| C16 | C15 | O20 | C21 | 126.3° | 90.3° |
| C16 | C15 | C14 | H3 | 169.3° | 176.9° |
| C15 | C16 | C18 | H6 | 13.1° | 55.1° |
| C15 | C16 | C18 | H7 | 107.2° | 65.0° |
| C18 | C16 | C15 | O20 | 51.0° | 57.7° |
| C16 | C18 | O19 | H6 | 119.8° | 119.9° |
| C16 | C18 | O19 | H7 | 119.9° | 120.1° |
| C18 | C16 | C15 | H4 | 69.0° | 62.5° |
| C16 | C18 | H6 | H7 | 120.4° | 120.0° |
| C16 | C18 | O19 | H60 | 180.0° | 180.0° |
| C15 | O20 | C21 | O22 | 0.6° | 0.0° |
| C15 | O20 | C21 | N23 | 179.4° | 180.0° |
| O20 | C15 | C14 | H3 | 48.2° | 57.0° |
| O20 | C15 | C16 | H5 | 170.7° | 177.7° |
| O19 | C18 | C16 | H5 | 13.4° | 54.9° |
| O19 | C18 | H6 | H7 | 120.4° | 120.0° |
| O20 | C21 | O22 | N23 | 180.0° | 179.9° |
| C21 | O20 | C15 | H4 | 7.3° | 29.9° |
| O20 | C21 | N23 | H43 | 180.0° | 180.0° |
| O20 | C21 | N23 | H44 | 0.0° | 0.0° |
| O22 | C21 | N23 | H43 | 0.0° | 0.0° |
| O22 | C21 | N23 | H44 | 180.0° | 180.0° |
| C21 | N23 | H43 | H44 | 180.0° | 180.0° |
| H1 | C12 | C13 | H2 | 179.6° | 177.7° |
| H1 | C12 | N11 | H42 | 144.4° | 155.0° |
| H2 | C13 | C14 | H3 | 55.1° | 57.0° |
| H2 | C13 | N25 | H45 | 179.6° | 144.8° |
| H3 | C14 | C15 | H4 | 71.6° | 63.1° |
| H3 | C14 | O24 | H61 | 60.2° | 59.8° |
| H4 | C15 | C16 | H5 | 50.7° | 57.6° |
| H5 | C16 | C18 | H6 | 106.5° | 65.0° |
| H5 | C16 | C18 | H7 | 133.3° | 175.0° |
| H6 | C18 | O19 | H60 | 60.2° | 60.1° |
| H7 | C18 | O19 | H60 | 60.1° | 60.0° |
| H8 | C28 | C29 | H10 | 147.0° | 175.0° |
| H9 | C28 | C29 | H10 | 94.4° | 65.0° |
| H10 | C29 | C30 | H11 | 82.0° | 175.0° |
| H10 | C29 | C30 | H12 | 160.0° | 65.0° |
| H10 | C29 | N52 | H57 | 61.0° | 56.0° |
| H10 | C29 | N52 | H58 | 179.0° | 180.0° |
| H11 | C30 | C31 | H13 | 142.6° | 180.0° |
| H11 | C30 | C31 | H14 | 98.5° | 60.0° |
| H12 | C30 | C31 | H13 | 24.6° | 60.0° |
| H12 | C30 | C31 | H14 | 143.5° | NaN° |
| H13 | C31 | C32 | H15 | 135.1° | 180.0° |
| H13 | C31 | C32 | H16 | 105.2° | 60.0° |
| H14 | C31 | C32 | H15 | 105.9° | 60.0° |
| H14 | C31 | C32 | H16 | 13.8° | 180.0° |
| H15 | C32 | N33 | H46 | 166.7° | 119.9° |
| H16 | C32 | N33 | H46 | 73.6° | 120.1° |
| H17 | C01 | C02 | H19 | 110.1° | 120.2° |
| H17 | C01 | N07 | H40 | 79.4° | 94.4° |
| H18 | C01 | C02 | H19 | 7.7° | 3.0° |
| H18 | C01 | N07 | H40 | 38.3° | 22.8° |
| H19 | C02 | C03 | H20 | 61.2° | 51.0° |
| H19 | C02 | O53 | H62 | 58.7° | 60.1° |
| H20 | C03 | C04 | H21 | 141.2° | 160.7° |
| H20 | C03 | N10 | H41 | 72.8° | 99.1° |
| H22 | C36 | C37 | H24 | 168.2° | 174.9° |
| H23 | C36 | C37 | H24 | 49.1° | 65.0° |
| H24 | C37 | C38 | H25 | 78.6° | 175.0° |
| H24 | C37 | C38 | H26 | 40.6° | 65.1° |
| H24 | C37 | N51 | H54 | 59.8° | 56.1° |
| H24 | C37 | N51 | H55 | 179.9° | 180.0° |
| H25 | C38 | C39 | H27 | 138.3° | 179.9° |
| H25 | C38 | C39 | H28 | 19.2° | 60.1° |
| H26 | C38 | C39 | H27 | 102.5° | 59.9° |
| H26 | C38 | C39 | H28 | 138.4° | 180.0° |
| H27 | C39 | C40 | H29 | 156.3° | 180.0° |
| H27 | C39 | C40 | H30 | 83.6° | 60.0° |
| H28 | C39 | C40 | H29 | 37.2° | 60.0° |
| H28 | C39 | C40 | H30 | 157.3° | 180.0° |
| H29 | C40 | N41 | H47 | 108.3° | 120.1° |
| H30 | C40 | N41 | H47 | 131.7° | 119.9° |
| H31 | C44 | C45 | H33 | 70.2° | 175.0° |
| H32 | C44 | C45 | H33 | 170.6° | 65.0° |
| H33 | C45 | C46 | H34 | 77.8° | 175.0° |
| H33 | C45 | C46 | H35 | 163.0° | 65.0° |
| H33 | C45 | N50 | H51 | 60.1° | 56.1° |
| H33 | C45 | N50 | H52 | 179.9° | 180.0° |
| H34 | C46 | C47 | H36 | 168.0° | 180.0° |
| H34 | C46 | C47 | H37 | 72.8° | 60.0° |
| H35 | C46 | C47 | H36 | 48.8° | 60.0° |
| H35 | C46 | C47 | H37 | 168.0° | 180.0° |
| H36 | C47 | C48 | H38 | 176.3° | NaN° |
| H36 | C47 | C48 | H39 | 63.9° | 60.0° |
| H37 | C47 | C48 | H38 | 57.2° | 60.0° |
| H37 | C47 | C48 | H39 | 176.9° | 180.0° |
| H38 | C48 | N49 | H48 | 59.9° | 63.9° |
| H38 | C48 | N49 | H49 | 60.1° | 60.1° |
| H39 | C48 | N49 | H48 | 59.9° | 176.1° |
| H39 | C48 | N49 | H49 | 179.9° | 59.9° |
