P9R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C08 | C06 | sing | 1.53Å | 1.53Å | |
| C30 | C29 | sing | 1.53Å | 1.51Å | |
| C30 | C31 | sing | 1.53Å | 1.51Å | |
| C07 | C06 | sing | 1.53Å | 1.54Å | |
| C29 | C28 | sing | 1.53Å | 1.52Å | |
| C06 | C05 | sing | 1.53Å | 1.55Å | |
| C28 | C27 | sing | 1.53Å | 1.54Å | |
| C31 | C32 | sing | 1.53Å | 1.51Å | |
| C32 | C27 | sing | 1.53Å | 1.54Å | |
| C05 | C04 | sing | 1.53Å | 1.55Å | |
| C27 | C26 | sing | 1.53Å | 1.53Å | |
| C26 | C25 | sing | 1.53Å | 1.50Å | |
| N03 | C04 | sing | 1.47Å | 1.47Å | |
| N03 | C02 | sing | 1.35Å | 1.38Å | |
| C04 | C09 | sing | 1.51Å | 1.54Å | |
| C25 | C24 | sing | 1.53Å | 1.54Å | |
| C25 | C33 | sing | 1.53Å | 1.52Å | |
| O22 | C02 | sing | 1.35Å | 1.35Å | |
| O22 | C23 | sing | 1.45Å | 1.43Å | |
| C02 | O01 | doub | 1.21Å | 1.21Å | |
| C24 | C33 | sing | 1.53Å | 1.51Å | |
| C24 | C23 | sing | 1.53Å | 1.49Å | |
| C09 | O21 | doub | 1.21Å | 1.25Å | |
| C09 | N10 | sing | 1.35Å | 1.38Å | |
| N10 | C11 | sing | 1.47Å | 1.46Å | |
| O20 | C19 | sing | 1.43Å | 1.39Å | |
| C11 | C19 | sing | 1.53Å | 1.56Å | |
| C11 | C12 | sing | 1.53Å | 1.55Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C13 | C17 | sing | 1.54Å | 1.54Å | |
| C13 | C14 | sing | 1.52Å | 1.51Å | |
| C17 | C16 | sing | 1.51Å | 1.54Å | |
| C14 | O18 | doub | 1.21Å | 1.23Å | |
| C14 | N15 | sing | 1.34Å | 1.39Å | |
| C16 | N15 | doub | 1.29Å | 1.45Å | |
| C16 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C19 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C04 | H10 | sing | 1.09Å | 1.10Å | |
| C05 | H11 | sing | 1.09Å | 1.10Å | |
| C05 | H12 | sing | 1.09Å | 1.10Å | |
| C06 | H13 | sing | 1.09Å | 1.10Å | |
| C07 | H14 | sing | 1.09Å | 1.10Å | |
| C07 | H15 | sing | 1.09Å | 1.10Å | |
| C07 | H16 | sing | 1.09Å | 1.10Å | |
| C08 | H17 | sing | 1.09Å | 1.10Å | |
| C08 | H18 | sing | 1.09Å | 1.10Å | |
| C08 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| C28 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H31 | sing | 1.09Å | 1.10Å | |
| C30 | H32 | sing | 1.09Å | 1.10Å | |
| C31 | H33 | sing | 1.09Å | 1.10Å | |
| C31 | H34 | sing | 1.09Å | 1.10Å | |
| C32 | H35 | sing | 1.09Å | 1.10Å | |
| C32 | H36 | sing | 1.09Å | 1.10Å | |
| C33 | H37 | sing | 1.09Å | 1.10Å | |
| C33 | H38 | sing | 1.09Å | 1.10Å | |
| N03 | H39 | sing | 0.97Å | 1.00Å | |
| N10 | H40 | sing | 0.97Å | 1.00Å | |
| O20 | H41 | sing | 0.97Å | 0.95Å | |
| C19 | S1 | sing | 1.81Å | 35.63Å | |
| S1 | O1 | doub | 1.42Å | 0.00Å | |
| S1 | O2 | sing | 1.52Å | 0.00Å | |
| S1 | O3 | sing | 1.52Å | 0.00Å | |
| O2 | H5 | sing | 0.97Å | 0.00Å | |
| O3 | H42 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C08 | C06 | C07 | 107.0° | 109.5° |
| C08 | C06 | C05 | 112.5° | 109.4° |
| C08 | C06 | H13 | 108.3° | 109.4° |
| C06 | C08 | H17 | 109.5° | 109.5° |
| C06 | C08 | H18 | 109.4° | 109.5° |
| C06 | C08 | H19 | 109.4° | 109.5° |
| C29 | C30 | C31 | 110.0° | 109.5° |
| C30 | C29 | C28 | 111.2° | 109.5° |
| C30 | C29 | H29 | 109.1° | 109.5° |
| C30 | C29 | H30 | 109.0° | 109.5° |
| C29 | C30 | H31 | 109.3° | 109.5° |
| C29 | C30 | H32 | 109.3° | 109.5° |
| C30 | C31 | C32 | 110.7° | 109.5° |
| C31 | C30 | H31 | 109.3° | 109.5° |
| C31 | C30 | H32 | 109.3° | 109.4° |
| C30 | C31 | H33 | 109.2° | 109.5° |
| C30 | C31 | H34 | 109.2° | 109.5° |
| C07 | C06 | C05 | 112.6° | 109.5° |
| C07 | C06 | H13 | 108.2° | 109.5° |
| C06 | C07 | H14 | 109.5° | 109.4° |
| C06 | C07 | H15 | 109.5° | 109.5° |
| C06 | C07 | H16 | 109.5° | 109.5° |
| C29 | C28 | C27 | 114.9° | 109.5° |
| C29 | C28 | H27 | 108.1° | 109.5° |
| C29 | C28 | H28 | 108.1° | 109.5° |
| C28 | C29 | H29 | 109.0° | 109.5° |
| C28 | C29 | H30 | 109.1° | 109.5° |
| C06 | C05 | C04 | 113.6° | 109.5° |
| C06 | C05 | H11 | 108.4° | 109.5° |
| C06 | C05 | H12 | 108.4° | 109.5° |
| C05 | C06 | H13 | 108.1° | 109.5° |
| C28 | C27 | C32 | 110.7° | 109.5° |
| C28 | C27 | C26 | 114.1° | 109.5° |
| C28 | C27 | H26 | 108.0° | 109.5° |
| C27 | C28 | H27 | 108.1° | 109.5° |
| C27 | C28 | H28 | 108.1° | 109.4° |
| C31 | C32 | C27 | 114.1° | 109.5° |
| C32 | C31 | H33 | 109.2° | 109.4° |
| C32 | C31 | H34 | 109.1° | 109.5° |
| C31 | C32 | H35 | 108.3° | 109.5° |
| C31 | C32 | H36 | 108.3° | 109.5° |
| C32 | C27 | C26 | 107.9° | 109.5° |
| C32 | C27 | H26 | 107.9° | 109.5° |
| C27 | C32 | H35 | 108.3° | 109.5° |
| C27 | C32 | H36 | 108.3° | 109.5° |
| C05 | C04 | N03 | 107.4° | 109.5° |
| C05 | C04 | C09 | 111.2° | 109.5° |
| C05 | C04 | H10 | 109.9° | 109.5° |
| C04 | C05 | H11 | 108.4° | 109.4° |
| C04 | C05 | H12 | 108.4° | 109.5° |
| C27 | C26 | C25 | 116.9° | 109.5° |
| C27 | C26 | H24 | 107.6° | 109.5° |
| C27 | C26 | H25 | 107.6° | 109.5° |
| C26 | C27 | H26 | 108.1° | 109.5° |
| C26 | C25 | C24 | 117.4° | 117.5° |
| C26 | C25 | C33 | 124.5° | 117.5° |
| C26 | C25 | H23 | 114.9° | 115.6° |
| C25 | C26 | H24 | 107.6° | 109.5° |
| C25 | C26 | H25 | 107.6° | 109.4° |
| C04 | N03 | C02 | 118.1° | 120.0° |
| N03 | C04 | C09 | 106.9° | 109.5° |
| N03 | C04 | H10 | 111.1° | 109.5° |
| C04 | N03 | H39 | 121.0° | 120.0° |
| N03 | C02 | O22 | 110.4° | 120.0° |
| N03 | C02 | O01 | 126.8° | 120.0° |
| C02 | N03 | H39 | 121.0° | 120.0° |
| C04 | C09 | O21 | 119.3° | 120.0° |
| C04 | C09 | N10 | 119.8° | 120.0° |
| C09 | C04 | H10 | 110.2° | 109.5° |
| C24 | C25 | C33 | 59.2° | 60.0° |
| C25 | C24 | C33 | 59.7° | 60.0° |
| C25 | C24 | C23 | 116.6° | 117.5° |
| C25 | C24 | H22 | 113.4° | 117.5° |
| C24 | C25 | H23 | 114.3° | 117.5° |
| C25 | C33 | C24 | 61.1° | 60.0° |
| C33 | C25 | H23 | 114.6° | 117.5° |
| C25 | C33 | H37 | 119.8° | 117.5° |
| C25 | C33 | H38 | 119.8° | 117.5° |
| C02 | O22 | C23 | 116.9° | 117.0° |
| O22 | C02 | O01 | 122.9° | 120.0° |
| O22 | C23 | C24 | 111.5° | 109.4° |
| O22 | C23 | H20 | 109.0° | 109.5° |
| O22 | C23 | H21 | 109.0° | 109.5° |
| C33 | C24 | C23 | 127.1° | 117.5° |
| C33 | C24 | H22 | 113.9° | 117.5° |
| C24 | C33 | H37 | 119.8° | 117.5° |
| C24 | C33 | H38 | 119.8° | 117.5° |
| C24 | C23 | H20 | 109.0° | 109.5° |
| C24 | C23 | H21 | 108.9° | 109.5° |
| C23 | C24 | H22 | 114.2° | 115.6° |
| O21 | C09 | N10 | 120.8° | 120.0° |
| C09 | N10 | C11 | 125.9° | 120.0° |
| C09 | N10 | H40 | 117.0° | 120.0° |
| N10 | C11 | C19 | 110.0° | 109.5° |
| N10 | C11 | C12 | 111.2° | 109.4° |
| N10 | C11 | H9 | 109.6° | 109.5° |
| C11 | N10 | H40 | 117.0° | 120.1° |
| O20 | C19 | C11 | 106.5° | 109.5° |
| O20 | C19 | H4 | 127.1° | 109.4° |
| C19 | O20 | H41 | 109.5° | 114.0° |
| O20 | C19 | S1 | 139.3° | 109.5° |
| C19 | C11 | C12 | 109.1° | 109.5° |
| C11 | C19 | H4 | 122.5° | 109.4° |
| C19 | C11 | H9 | 108.3° | 109.5° |
| C11 | C19 | S1 | 48.5° | 109.5° |
| C11 | C12 | C13 | 114.5° | 109.4° |
| C11 | C12 | H7 | 108.2° | 109.5° |
| C11 | C12 | H8 | 108.2° | 109.4° |
| C12 | C11 | H9 | 108.5° | 109.5° |
| C12 | C13 | C17 | 116.0° | 110.7° |
| C12 | C13 | C14 | 112.3° | 110.8° |
| C12 | C13 | H6 | 108.3° | 110.8° |
| C13 | C12 | H7 | 108.2° | 109.5° |
| C13 | C12 | H8 | 108.2° | 109.5° |
| C17 | C13 | C14 | 103.5° | 102.7° |
| C13 | C17 | C16 | 107.3° | 103.2° |
| C13 | C17 | H2 | 110.0° | 110.6° |
| C13 | C17 | H3 | 110.0° | 110.8° |
| C17 | C13 | H6 | 108.0° | 110.8° |
| C13 | C14 | O18 | 127.6° | 125.7° |
| C13 | C14 | N15 | 110.9° | 108.7° |
| C14 | C13 | H6 | 108.4° | 110.8° |
| C17 | C16 | N15 | 105.1° | 109.9° |
| C17 | C16 | H1 | 127.4° | 125.0° |
| C16 | C17 | H2 | 110.0° | 110.7° |
| C16 | C17 | H3 | 110.0° | 110.6° |
| O18 | C14 | N15 | 121.5° | 125.6° |
| C14 | N15 | C16 | 112.6° | 115.5° |
| N15 | C16 | H1 | 127.5° | 125.1° |
| H2 | C17 | H3 | 109.5° | 110.6° |
| H4 | C19 | S1 | 91.4° | 109.5° |
| H7 | C12 | H8 | 109.5° | 109.5° |
| H11 | C05 | H12 | 109.5° | 109.5° |
| H14 | C07 | H15 | 109.4° | 109.4° |
| H14 | C07 | H16 | 109.5° | 109.5° |
| H15 | C07 | H16 | 109.4° | 109.5° |
| H17 | C08 | H18 | 109.5° | 109.4° |
| H17 | C08 | H19 | 109.5° | 109.4° |
| H18 | C08 | H19 | 109.5° | 109.4° |
| H20 | C23 | H21 | 109.5° | 109.6° |
| H24 | C26 | H25 | 109.5° | 109.4° |
| H27 | C28 | H28 | 109.5° | 109.5° |
| H29 | C29 | H30 | 109.5° | 109.5° |
| H31 | C30 | H32 | 109.5° | 109.5° |
| H33 | C31 | H34 | 109.4° | 109.4° |
| H35 | C32 | H36 | 109.5° | 109.5° |
| H37 | C33 | H38 | 109.5° | 115.6° |
| C19 | S1 | O1 | 90.0° | 114.6° |
| C19 | S1 | O2 | 90.0° | 108.3° |
| C19 | S1 | O3 | 90.0° | 108.3° |
| O1 | S1 | O2 | 90.0° | 108.4° |
| O1 | S1 | O3 | 90.0° | 108.4° |
| O2 | S1 | O3 | 90.0° | 108.7° |
| S1 | O2 | H5 | 90.0° | 114.0° |
| S1 | O3 | H42 | 90.0° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C08 | C06 | C07 | C05 | 124.1° | 120.0° |
| C08 | C06 | C07 | H13 | 116.5° | 120.0° |
| C08 | C06 | C05 | H13 | 119.5° | 119.9° |
| C08 | C06 | C05 | C04 | 164.8° | 173.8° |
| C08 | C06 | C05 | H11 | 44.2° | 66.2° |
| C08 | C06 | C05 | H12 | 74.6° | 53.8° |
| C08 | C06 | C07 | H14 | 180.0° | 63.8° |
| C08 | C06 | C07 | H15 | 60.0° | 176.3° |
| C08 | C06 | C07 | H16 | 60.0° | 56.3° |
| C06 | C08 | H17 | H18 | 120.0° | 120.1° |
| C06 | C08 | H17 | H19 | 120.0° | 120.0° |
| C06 | C08 | H18 | H19 | 120.0° | 120.0° |
| C29 | C30 | C31 | H31 | 120.1° | 120.0° |
| C29 | C30 | C31 | H32 | 120.1° | 120.0° |
| C30 | C29 | C28 | H29 | 120.3° | 120.0° |
| C30 | C29 | C28 | H30 | 120.3° | 120.0° |
| C30 | C29 | C28 | C27 | 51.8° | 60.0° |
| C29 | C30 | C31 | C32 | 60.5° | 60.0° |
| C30 | C29 | C28 | H27 | 69.0° | 180.0° |
| C30 | C29 | C28 | H28 | 172.6° | 60.0° |
| C30 | C29 | H29 | H30 | 119.2° | 120.0° |
| C29 | C30 | H31 | H32 | 119.8° | 120.0° |
| C29 | C30 | C31 | H33 | 59.8° | 60.0° |
| C29 | C30 | C31 | H34 | 179.3° | 180.0° |
| C31 | C30 | C29 | C28 | 58.5° | 60.0° |
| C30 | C31 | C32 | H33 | 120.2° | 120.0° |
| C30 | C31 | C32 | H34 | 120.2° | 120.1° |
| C30 | C31 | C32 | C27 | 55.3° | 60.0° |
| C31 | C30 | C29 | H29 | 178.7° | 60.0° |
| C31 | C30 | C29 | H30 | 61.8° | 180.0° |
| C31 | C30 | H31 | H32 | 119.7° | 119.9° |
| C30 | C31 | H33 | H34 | 119.4° | 120.0° |
| C30 | C31 | C32 | H35 | 176.0° | 60.0° |
| C30 | C31 | C32 | H36 | 65.4° | 180.0° |
| C07 | C06 | C05 | H13 | 119.4° | 120.1° |
| C07 | C06 | C05 | C04 | 43.7° | 66.2° |
| C07 | C06 | C05 | H11 | 76.8° | 53.7° |
| C07 | C06 | C05 | H12 | 164.3° | 173.7° |
| C06 | C07 | H14 | H15 | 120.0° | 119.9° |
| C06 | C07 | H14 | H16 | 120.0° | 120.1° |
| C06 | C07 | H15 | H16 | 120.0° | 120.0° |
| C07 | C06 | C08 | H17 | 180.0° | 179.9° |
| C07 | C06 | C08 | H18 | 60.0° | 60.0° |
| C07 | C06 | C08 | H19 | 60.0° | 59.9° |
| C29 | C28 | C27 | H27 | 120.8° | 120.0° |
| C29 | C28 | C27 | H28 | 120.8° | 120.0° |
| C29 | C28 | C27 | C32 | 44.6° | 60.0° |
| C29 | C28 | C27 | C26 | 166.4° | 180.0° |
| C29 | C28 | C27 | H26 | 73.4° | 60.0° |
| C29 | C28 | H27 | H28 | 117.5° | 120.0° |
| C28 | C29 | H29 | H30 | 119.2° | 120.0° |
| C28 | C29 | C30 | H31 | 178.6° | 180.0° |
| C28 | C29 | C30 | H32 | 61.6° | 60.0° |
| C06 | C05 | C04 | H11 | 120.6° | 120.0° |
| C06 | C05 | C04 | H12 | 120.6° | 120.0° |
| C06 | C05 | C04 | N03 | 54.9° | 175.7° |
| C06 | C05 | C04 | C09 | 171.6° | 64.3° |
| C06 | C05 | C04 | H10 | 66.1° | 55.7° |
| C06 | C05 | H11 | H12 | 118.1° | 120.0° |
| C05 | C06 | C07 | H14 | 55.9° | 176.2° |
| C05 | C06 | C07 | H15 | 175.9° | 56.3° |
| C05 | C06 | C07 | H16 | 64.2° | 63.7° |
| C05 | C06 | C08 | H17 | 55.8° | 60.0° |
| C05 | C06 | C08 | H18 | 64.2° | 180.0° |
| C05 | C06 | C08 | H19 | 175.8° | 60.0° |
| C28 | C27 | C32 | C31 | 46.3° | 60.0° |
| C28 | C27 | C32 | C26 | 125.4° | 120.0° |
| C28 | C27 | C32 | H26 | 118.0° | 120.0° |
| C28 | C27 | C26 | H26 | 120.2° | 120.0° |
| C28 | C27 | C26 | C25 | 140.6° | 175.0° |
| C28 | C27 | C26 | H24 | 98.3° | 55.0° |
| C28 | C27 | C26 | H25 | 19.6° | 65.0° |
| C27 | C28 | H27 | H28 | 117.5° | 120.0° |
| C27 | C28 | C29 | H29 | 172.1° | 60.0° |
| C27 | C28 | C29 | H30 | 68.5° | 180.0° |
| C28 | C27 | C32 | H35 | 167.0° | 60.0° |
| C28 | C27 | C32 | H36 | 74.3° | 180.0° |
| C31 | C32 | C27 | H35 | 120.7° | 120.0° |
| C31 | C32 | C27 | H36 | 120.7° | 120.0° |
| C31 | C32 | C27 | C26 | 171.7° | 179.9° |
| C31 | C32 | C27 | H26 | 71.7° | 60.0° |
| C32 | C31 | C30 | H31 | 179.5° | 180.0° |
| C32 | C31 | C30 | H32 | 59.6° | 60.0° |
| C32 | C31 | H33 | H34 | 119.4° | 120.0° |
| C31 | C32 | H35 | H36 | 117.9° | 120.0° |
| C32 | C27 | C26 | H26 | 116.5° | 120.0° |
| C32 | C27 | C26 | C25 | 96.0° | 65.0° |
| C32 | C27 | C26 | H24 | 25.1° | 175.0° |
| C32 | C27 | C26 | H25 | 142.9° | 55.0° |
| C32 | C27 | C28 | H27 | 76.2° | 180.0° |
| C32 | C27 | C28 | H28 | 165.4° | 60.0° |
| C27 | C32 | C31 | H33 | 65.0° | 60.1° |
| C27 | C32 | C31 | H34 | 175.5° | 180.0° |
| C27 | C32 | H35 | H36 | 117.9° | 120.0° |
| C05 | C04 | N03 | C09 | 119.5° | 120.0° |
| C05 | C04 | N03 | H10 | 120.3° | 120.0° |
| C05 | C04 | N03 | C02 | 154.8° | 87.9° |
| C05 | C04 | C09 | H10 | 122.2° | 120.0° |
| C05 | C04 | C09 | O21 | 64.2° | 109.0° |
| C05 | C04 | C09 | N10 | 117.1° | 71.1° |
| C04 | C05 | H11 | H12 | 118.1° | 120.0° |
| C04 | C05 | C06 | H13 | 75.7° | 53.8° |
| C05 | C04 | N03 | H39 | 25.2° | 92.1° |
| C27 | C26 | C25 | H24 | 121.1° | 120.0° |
| C27 | C26 | C25 | H25 | 121.1° | 120.0° |
| C27 | C26 | C25 | C24 | 132.8° | 175.0° |
| C27 | C26 | C25 | C33 | 62.9° | 116.4° |
| C27 | C26 | C25 | H23 | 88.4° | 29.3° |
| C27 | C26 | H24 | H25 | 116.6° | 120.0° |
| C26 | C27 | C28 | H27 | 45.6° | 60.0° |
| C26 | C27 | C28 | H28 | 72.8° | 60.0° |
| C26 | C27 | C32 | H35 | 67.6° | 60.0° |
| C26 | C27 | C32 | H36 | 51.1° | 60.0° |
| C26 | C25 | C24 | C33 | 115.7° | 107.5° |
| C26 | C25 | C24 | H23 | 139.0° | 145.0° |
| C26 | C25 | C33 | H23 | 151.4° | 145.1° |
| C26 | C25 | C24 | C23 | 125.0° | 145.0° |
| C26 | C25 | C24 | H22 | 10.7° | 0.0° |
| C25 | C26 | H24 | H25 | 116.6° | 120.0° |
| C25 | C26 | C27 | H26 | 20.5° | 55.0° |
| C26 | C25 | C33 | H37 | 146.4° | 0.0° |
| C26 | C25 | C33 | H38 | 5.9° | 145.0° |
| C04 | N03 | C02 | H39 | 180.0° | 180.0° |
| N03 | C04 | C09 | H10 | 120.9° | 120.0° |
| C04 | N03 | C02 | O22 | 138.6° | 175.0° |
| C04 | N03 | C02 | O01 | 40.4° | 5.0° |
| N03 | C04 | C09 | O21 | 52.8° | 11.1° |
| N03 | C04 | C09 | N10 | 125.9° | 168.9° |
| N03 | C04 | C05 | H11 | 175.5° | 55.7° |
| N03 | C04 | C05 | H12 | 65.7° | 64.2° |
| C02 | N03 | C04 | C09 | 35.3° | 152.1° |
| N03 | C02 | O22 | O01 | 179.0° | 180.0° |
| N03 | C02 | O22 | C23 | 170.5° | 180.0° |
| C02 | N03 | C04 | H10 | 84.9° | 32.1° |
| C04 | C09 | O21 | N10 | 178.7° | 180.0° |
| C04 | C09 | N10 | C11 | 179.4° | 177.2° |
| C09 | C04 | C05 | H11 | 67.8° | 175.8° |
| C09 | C04 | C05 | H12 | 51.0° | 55.8° |
| C09 | C04 | N03 | H39 | 144.6° | 27.9° |
| C04 | C09 | N10 | H40 | 0.6° | 2.8° |
| C24 | C25 | C33 | H23 | 104.7° | 107.5° |
| C25 | C24 | C23 | O22 | 114.9° | 175.0° |
| C25 | C24 | C33 | C23 | 102.0° | 107.5° |
| C25 | C24 | C33 | H22 | 104.2° | 107.5° |
| C25 | C24 | C23 | H22 | 135.4° | 145.7° |
| C25 | C24 | C23 | H20 | 124.8° | 55.0° |
| C25 | C24 | C23 | H21 | 5.4° | 65.1° |
| C24 | C25 | C26 | H24 | 11.8° | 55.0° |
| C24 | C25 | C26 | H25 | 106.1° | 65.0° |
| C24 | C25 | C33 | H37 | 109.7° | 107.5° |
| C24 | C25 | C33 | H38 | 109.8° | 107.5° |
| C33 | C25 | C26 | H24 | 58.1° | 123.6° |
| C33 | C25 | C26 | H25 | 176.0° | 3.6° |
| C25 | C33 | H37 | H38 | 144.2° | 145.7° |
| C02 | O22 | C23 | C24 | 96.2° | 180.0° |
| C02 | O22 | C23 | H20 | 24.1° | 60.0° |
| C02 | O22 | C23 | H21 | 143.5° | 60.0° |
| O22 | C02 | N03 | H39 | 41.4° | 5.0° |
| C23 | O22 | C02 | O01 | 10.5° | 0.0° |
| O22 | C23 | C24 | C33 | 174.3° | 116.4° |
| O22 | C23 | C24 | H20 | 120.3° | 120.0° |
| O22 | C23 | C24 | H21 | 120.3° | 120.0° |
| O22 | C23 | H20 | H21 | 119.1° | 120.0° |
| O22 | C23 | C24 | H22 | 20.5° | 29.3° |
| O01 | C02 | N03 | H39 | 139.7° | 175.0° |
| C33 | C24 | C23 | H22 | 153.7° | 145.7° |
| C33 | C24 | C23 | H20 | 54.0° | 123.6° |
| C33 | C24 | C23 | H21 | 65.4° | 3.5° |
| C24 | C33 | H37 | H38 | 144.2° | 145.7° |
| C24 | C23 | H20 | H21 | 119.0° | 120.0° |
| C23 | C24 | C25 | H23 | 14.0° | 0.0° |
| C23 | C24 | C33 | H37 | 7.7° | 145.1° |
| C23 | C24 | C33 | H38 | 148.2° | 0.0° |
| O21 | C09 | N10 | C11 | 0.7° | 2.8° |
| O21 | C09 | C04 | H10 | 173.6° | 131.0° |
| O21 | C09 | N10 | H40 | 179.2° | 177.2° |
| C09 | N10 | C11 | H40 | 180.0° | 180.0° |
| C09 | N10 | C11 | C19 | 121.9° | 105.8° |
| C09 | N10 | C11 | C12 | 117.1° | 134.2° |
| C09 | N10 | C11 | H9 | 2.9° | 14.2° |
| N10 | C09 | C04 | H10 | 5.1° | 48.9° |
| N10 | C11 | C19 | O20 | 76.0° | 171.4° |
| N10 | C11 | C19 | C12 | 122.2° | 120.0° |
| N10 | C11 | C19 | H9 | 119.8° | 120.0° |
| N10 | C11 | C12 | H9 | 120.6° | 120.0° |
| N10 | C11 | C12 | C13 | 77.6° | 67.1° |
| N10 | C11 | C19 | H4 | 124.8° | 51.4° |
| N10 | C11 | C12 | H7 | 43.1° | 172.9° |
| N10 | C11 | C12 | H8 | 161.7° | 52.9° |
| N10 | C11 | C19 | S1 | 66.6° | 68.6° |
| O20 | C19 | C11 | H4 | 159.2° | 120.0° |
| O20 | C19 | C11 | S1 | 142.6° | 120.0° |
| O20 | C19 | C11 | C12 | 161.8° | 51.4° |
| O20 | C19 | H4 | S1 | 165.8° | 120.0° |
| O20 | C19 | C11 | H9 | 43.8° | 68.6° |
| O20 | C19 | S1 | O1 | 90.0° | 54.9° |
| O20 | C19 | S1 | O2 | 90.0° | 176.0° |
| O20 | C19 | S1 | O3 | 90.0° | 66.2° |
| C19 | C11 | C12 | H9 | 117.9° | 120.0° |
| C19 | C11 | C12 | C13 | 160.9° | 172.9° |
| C11 | C19 | H4 | S1 | 39.5° | 120.0° |
| C19 | C11 | C12 | H7 | 78.3° | 52.9° |
| C19 | C11 | C12 | H8 | 40.2° | 67.1° |
| C19 | C11 | N10 | H40 | 58.1° | 74.2° |
| C11 | C19 | O20 | H41 | 180.0° | 60.0° |
| C11 | C19 | S1 | O1 | 90.0° | 174.9° |
| C11 | C19 | S1 | O2 | 90.0° | 63.9° |
| C11 | C19 | S1 | O3 | 90.0° | 53.8° |
| C11 | C12 | C13 | H7 | 120.8° | 120.0° |
| C11 | C12 | C13 | H8 | 120.7° | 119.9° |
| C11 | C12 | C13 | C17 | 57.5° | 170.7° |
| C11 | C12 | C13 | C14 | 176.2° | 76.0° |
| C12 | C11 | C19 | H4 | 2.6° | 68.5° |
| C11 | C12 | C13 | H6 | 64.1° | 47.4° |
| C11 | C12 | H7 | H8 | 117.7° | 120.0° |
| C12 | C11 | N10 | H40 | 62.9° | 45.8° |
| C12 | C11 | C19 | S1 | 55.6° | 171.4° |
| C12 | C13 | C17 | C14 | 123.4° | 118.3° |
| C12 | C13 | C17 | H6 | 121.7° | 123.4° |
| C12 | C13 | C14 | H6 | 119.6° | 123.4° |
| C12 | C13 | C17 | C16 | 130.9° | 118.5° |
| C12 | C13 | C14 | O18 | 49.4° | 61.8° |
| C12 | C13 | C14 | N15 | 130.7° | 118.5° |
| C12 | C13 | C17 | H2 | 11.2° | 123.1° |
| C12 | C13 | C17 | H3 | 109.4° | 0.0° |
| C13 | C12 | H7 | H8 | 117.7° | 120.0° |
| C13 | C12 | C11 | H9 | 43.1° | 52.9° |
| C17 | C13 | C14 | H6 | 114.5° | 118.3° |
| C13 | C17 | C16 | H2 | 119.6° | 118.4° |
| C13 | C17 | C16 | H3 | 119.7° | 118.6° |
| C17 | C13 | C14 | O18 | 175.3° | 179.9° |
| C17 | C13 | C14 | N15 | 4.9° | 0.3° |
| C13 | C17 | C16 | N15 | 7.5° | 0.0° |
| C13 | C17 | C16 | H1 | 172.5° | 179.8° |
| C13 | C17 | H2 | H3 | 121.0° | 123.2° |
| C17 | C13 | C12 | H7 | 178.3° | 50.7° |
| C17 | C13 | C12 | H8 | 63.2° | 69.3° |
| C14 | C13 | C17 | C16 | 7.5° | 0.2° |
| C13 | C14 | O18 | N15 | 179.8° | 179.6° |
| C13 | C14 | N15 | C16 | 0.2° | 0.3° |
| C14 | C13 | C17 | H2 | 112.2° | 118.6° |
| C14 | C13 | C17 | H3 | 127.1° | 118.3° |
| C14 | C13 | C12 | H7 | 63.0° | 164.0° |
| C14 | C13 | C12 | H8 | 55.5° | 43.9° |
| C17 | C16 | N15 | C14 | 4.7° | 0.1° |
| C17 | C16 | N15 | H1 | 180.0° | 179.9° |
| C16 | C17 | H2 | H3 | 121.0° | 123.0° |
| C16 | C17 | C13 | H6 | 107.4° | 118.1° |
| O18 | C14 | N15 | C16 | 180.0° | 179.9° |
| O18 | C14 | C13 | H6 | 70.2° | 61.6° |
| C14 | N15 | C16 | H1 | 175.4° | 180.0° |
| N15 | C14 | C13 | H6 | 109.7° | 118.0° |
| N15 | C16 | C17 | H2 | 112.1° | 118.4° |
| N15 | C16 | C17 | H3 | 127.2° | 118.6° |
| H1 | C16 | C17 | H2 | 67.8° | 61.4° |
| H1 | C16 | C17 | H3 | 52.9° | 61.6° |
| H2 | C17 | C13 | H6 | 133.0° | 0.3° |
| H3 | C17 | C13 | H6 | 12.3° | 123.4° |
| H4 | C19 | C11 | H9 | 115.4° | 171.5° |
| H4 | C19 | O20 | H41 | 22.0° | 60.0° |
| H4 | C19 | S1 | O1 | 90.0° | 65.1° |
| H4 | C19 | S1 | O2 | 90.0° | 56.0° |
| H4 | C19 | S1 | O3 | 90.0° | 173.8° |
| H6 | C13 | C12 | H7 | 56.7° | 72.6° |
| H6 | C13 | C12 | H8 | 175.2° | 167.3° |
| H7 | C12 | C11 | H9 | 163.8° | 67.1° |
| H8 | C12 | C11 | H9 | 77.7° | 172.9° |
| H9 | C11 | N10 | H40 | 177.1° | 165.8° |
| H9 | C11 | C19 | S1 | 173.6° | 51.5° |
| H10 | C04 | C05 | H11 | 54.5° | 64.2° |
| H10 | C04 | C05 | H12 | 173.3° | 175.8° |
| H10 | C04 | N03 | H39 | 95.1° | 147.9° |
| H11 | C05 | C06 | H13 | 163.7° | 173.8° |
| H12 | C05 | C06 | H13 | 44.9° | 66.2° |
| H13 | C06 | C07 | H14 | 63.5° | 56.2° |
| H13 | C06 | C07 | H15 | 56.5° | 63.7° |
| H13 | C06 | C07 | H16 | 176.5° | 176.3° |
| H13 | C06 | C08 | H17 | 63.6° | 60.0° |
| H13 | C06 | C08 | H18 | 176.4° | 60.0° |
| H13 | C06 | C08 | H19 | 56.4° | 180.0° |
| H14 | C07 | H15 | H16 | 120.0° | 120.1° |
| H17 | C08 | H18 | H19 | 120.0° | 119.9° |
| H20 | C23 | C24 | H22 | 99.8° | 90.6° |
| H21 | C23 | C24 | H22 | 140.8° | 149.3° |
| H22 | C24 | C25 | H23 | 149.8° | 145.0° |
| H22 | C24 | C33 | H37 | 146.1° | 0.0° |
| H22 | C24 | C33 | H38 | 5.6° | 145.1° |
| H23 | C25 | C26 | H24 | 150.6° | 90.7° |
| H23 | C25 | C26 | H25 | 32.7° | 149.3° |
| H23 | C25 | C33 | H37 | 5.0° | 145.1° |
| H23 | C25 | C33 | H38 | 145.5° | 0.0° |
| H24 | C26 | C27 | H26 | 141.5° | 65.0° |
| H25 | C26 | C27 | H26 | 100.6° | 175.0° |
| H26 | C27 | C28 | H27 | 165.8° | 60.0° |
| H26 | C27 | C28 | H28 | 47.4° | 180.0° |
| H26 | C27 | C32 | H35 | 49.0° | 180.0° |
| H26 | C27 | C32 | H36 | 167.6° | 60.0° |
| H27 | C28 | C29 | H29 | 51.2° | 60.0° |
| H27 | C28 | C29 | H30 | 170.7° | 60.0° |
| H28 | C28 | C29 | H29 | 67.1° | 180.0° |
| H28 | C28 | C29 | H30 | 52.3° | 60.1° |
| H29 | C29 | C30 | H31 | 61.2° | 60.0° |
| H29 | C29 | C30 | H32 | 58.7° | 180.0° |
| H30 | C29 | C30 | H31 | 58.3° | 60.0° |
| H30 | C29 | C30 | H32 | 178.1° | 60.0° |
| H31 | C30 | C31 | H33 | 60.3° | 60.0° |
| H31 | C30 | C31 | H34 | 59.3° | 60.0° |
| H32 | C30 | C31 | H33 | 179.8° | 180.0° |
| H32 | C30 | C31 | H34 | 60.6° | 60.0° |
| H33 | C31 | C32 | H35 | 55.7° | 180.0° |
| H33 | C31 | C32 | H36 | 174.4° | 60.0° |
| H34 | C31 | C32 | H35 | 63.8° | 60.1° |
| H34 | C31 | C32 | H36 | 54.8° | 59.9° |
| H41 | O20 | C19 | S1 | 135.8° | 180.0° |
| C19 | S1 | O1 | O2 | 90.0° | 121.1° |
| C19 | S1 | O1 | O3 | 90.0° | 121.1° |
| C19 | S1 | O2 | O3 | 90.0° | 117.5° |
| C19 | S1 | O2 | H5 | 90.0° | 180.0° |
| C19 | S1 | O3 | H42 | 90.0° | 55.1° |
| O1 | S1 | O2 | O3 | 90.0° | 117.6° |
| O1 | S1 | O2 | H5 | 90.0° | 55.1° |
| O1 | S1 | O3 | H42 | 90.0° | 180.0° |
| O2 | S1 | O3 | H42 | 90.0° | 62.4° |
| O3 | S1 | O2 | H5 | 90.0° | 62.5° |
