F5L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C31 | C30 | sing | 1.53Å | 1.55Å | |
| C17 | C16 | sing | 1.54Å | 1.53Å | |
| C17 | C13 | sing | 1.55Å | 1.54Å | |
| C27 | C26 | sing | 1.53Å | 1.57Å | |
| C27 | N28 | sing | 1.47Å | 1.51Å | |
| C30 | C32 | sing | 1.53Å | 1.54Å | |
| C30 | C29 | sing | 1.51Å | 1.58Å | |
| C16 | N15 | sing | 1.47Å | 1.49Å | |
| O20 | C19 | sing | 1.43Å | 1.45Å | |
| O21 | C09 | doub | 1.21Å | 1.26Å | |
| C26 | C25 | sing | 1.53Å | 1.54Å | |
| N28 | C29 | sing | 1.35Å | 1.44Å | |
| N28 | C34 | sing | 1.47Å | 1.52Å | |
| C11 | C19 | sing | 1.53Å | 1.58Å | |
| C11 | C12 | sing | 1.53Å | 1.58Å | |
| C11 | N10 | sing | 1.47Å | 1.50Å | |
| C29 | O33 | doub | 1.21Å | 1.25Å | |
| N15 | C14 | sing | 1.34Å | 1.43Å | |
| C12 | C13 | sing | 1.53Å | 1.55Å | |
| C13 | C14 | sing | 1.51Å | 1.52Å | |
| C36 | C25 | sing | 1.53Å | 1.58Å | |
| C36 | C23 | sing | 1.54Å | 1.58Å | |
| C09 | N10 | sing | 1.35Å | 1.43Å | |
| C09 | C04 | sing | 1.51Å | 1.58Å | |
| C25 | C24 | sing | 1.53Å | 1.59Å | |
| C25 | C35 | sing | 1.53Å | 1.53Å | |
| O22 | C23 | sing | 1.45Å | 1.43Å | |
| O22 | C02 | sing | 1.35Å | 1.42Å | |
| C34 | C35 | sing | 1.53Å | 1.57Å | |
| C14 | O18 | doub | 1.21Å | 1.24Å | |
| N03 | C02 | sing | 1.35Å | 1.42Å | |
| N03 | C04 | sing | 1.46Å | 1.50Å | |
| C05 | C04 | sing | 1.53Å | 1.58Å | |
| C05 | C06 | sing | 1.53Å | 1.57Å | |
| C23 | C24 | sing | 1.54Å | 1.58Å | |
| C02 | O01 | doub | 1.22Å | 1.25Å | |
| C07 | C06 | sing | 1.53Å | 1.54Å | |
| C06 | C08 | sing | 1.53Å | 1.55Å | |
| C04 | H1 | sing | 1.09Å | 1.10Å | |
| C05 | H2 | sing | 1.09Å | 1.10Å | |
| C05 | H3 | sing | 1.09Å | 1.10Å | |
| C06 | H4 | sing | 1.09Å | 1.10Å | |
| C07 | H5 | sing | 1.09Å | 1.10Å | |
| C07 | H6 | sing | 1.09Å | 1.10Å | |
| C07 | H7 | sing | 1.09Å | 1.10Å | |
| C08 | H8 | sing | 1.09Å | 1.10Å | |
| C08 | H9 | sing | 1.09Å | 1.10Å | |
| C08 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | 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 | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C30 | H28 | sing | 1.09Å | 1.10Å | |
| C31 | H29 | sing | 1.09Å | 1.10Å | |
| C31 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H33 | sing | 1.09Å | 1.10Å | |
| C32 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H35 | sing | 1.09Å | 1.10Å | |
| C34 | H36 | sing | 1.09Å | 1.10Å | |
| C35 | H37 | sing | 1.09Å | 1.10Å | |
| C35 | H38 | sing | 1.09Å | 1.10Å | |
| C36 | H39 | sing | 1.09Å | 1.10Å | |
| C36 | H40 | sing | 1.09Å | 1.10Å | |
| N03 | H41 | sing | 0.97Å | 1.00Å | |
| N10 | H42 | sing | 0.97Å | 1.00Å | |
| N15 | H43 | sing | 0.97Å | 1.00Å | |
| O20 | H44 | sing | 0.97Å | 0.95Å | |
| C19 | S1 | sing | 1.81Å | 19.11Å | |
| S1 | O1 | doub | 1.42Å | 0.00Å | |
| S1 | O3 | sing | 1.52Å | 0.00Å | |
| S1 | O2 | doub | 1.42Å | 0.00Å | |
| O3 | H20 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C31 | C30 | C32 | 109.6° | 109.5° |
| C31 | C30 | C29 | 114.0° | 109.4° |
| C31 | C30 | H28 | 106.9° | 109.4° |
| C30 | C31 | H29 | 109.5° | 109.5° |
| C30 | C31 | H30 | 109.5° | 109.5° |
| C30 | C31 | H31 | 109.5° | 109.5° |
| C16 | C17 | C13 | 104.7° | 101.7° |
| C17 | C16 | N15 | 107.9° | 105.5° |
| C17 | C16 | H15 | 109.8° | 110.2° |
| C17 | C16 | H16 | 109.9° | 110.3° |
| C16 | C17 | H17 | 110.6° | 110.9° |
| C16 | C17 | H18 | 110.7° | 110.9° |
| C17 | C13 | C12 | 110.1° | 110.5° |
| C17 | C13 | C14 | 102.6° | 104.2° |
| C17 | C13 | H14 | 110.7° | 110.5° |
| C13 | C17 | H17 | 110.7° | 111.0° |
| C13 | C17 | H18 | 110.6° | 111.0° |
| C26 | C27 | N28 | 112.1° | 108.8° |
| C27 | C26 | C25 | 115.9° | 109.1° |
| C27 | C26 | H24 | 107.9° | 109.6° |
| C27 | C26 | H25 | 107.8° | 109.5° |
| C26 | C27 | H26 | 108.9° | 109.6° |
| C26 | C27 | H27 | 108.8° | 109.6° |
| C27 | N28 | C29 | 126.8° | 120.5° |
| C27 | N28 | C34 | 110.0° | 119.0° |
| N28 | C27 | H26 | 108.8° | 109.5° |
| N28 | C27 | H27 | 108.8° | 109.6° |
| C32 | C30 | C29 | 112.4° | 109.5° |
| C32 | C30 | H28 | 107.0° | 109.5° |
| C30 | C32 | H32 | 109.5° | 109.5° |
| C30 | C32 | H33 | 109.5° | 109.5° |
| C30 | C32 | H34 | 109.5° | 109.5° |
| C30 | C29 | N28 | 126.4° | 120.0° |
| C30 | C29 | O33 | 115.6° | 120.0° |
| C29 | C30 | H28 | 106.6° | 109.5° |
| C16 | N15 | C14 | 106.1° | 111.3° |
| N15 | C16 | H15 | 109.9° | 110.2° |
| N15 | C16 | H16 | 109.9° | 110.3° |
| C16 | N15 | H43 | 126.9° | 124.3° |
| O20 | C19 | C11 | 104.5° | 109.5° |
| O20 | C19 | H19 | 129.5° | 109.5° |
| C19 | O20 | H44 | 109.5° | 114.0° |
| O20 | C19 | S1 | 59.5° | 109.5° |
| O21 | C09 | N10 | 115.9° | 120.0° |
| O21 | C09 | C04 | 116.9° | 120.0° |
| C26 | C25 | C36 | 121.9° | 113.5° |
| C26 | C25 | C24 | 105.9° | 113.5° |
| C26 | C25 | C35 | 111.7° | 113.0° |
| C25 | C26 | H24 | 107.8° | 109.5° |
| C25 | C26 | H25 | 107.9° | 109.5° |
| C29 | N28 | C34 | 123.1° | 120.4° |
| N28 | C29 | O33 | 118.0° | 120.0° |
| N28 | C34 | C35 | 115.4° | 108.8° |
| N28 | C34 | H35 | 108.0° | 109.6° |
| N28 | C34 | H36 | 108.0° | 109.7° |
| C19 | C11 | C12 | 108.7° | 109.5° |
| C19 | C11 | N10 | 109.2° | 109.4° |
| C19 | C11 | H11 | 109.3° | 109.5° |
| C11 | C19 | H19 | 125.9° | 109.4° |
| C11 | C19 | S1 | 114.7° | 109.5° |
| C12 | C11 | N10 | 110.0° | 109.4° |
| C11 | C12 | C13 | 112.9° | 109.5° |
| C12 | C11 | H11 | 109.2° | 109.5° |
| C11 | C12 | H12 | 108.6° | 109.5° |
| C11 | C12 | H13 | 108.6° | 109.4° |
| C11 | N10 | C09 | 124.1° | 120.0° |
| N10 | C11 | H11 | 110.4° | 109.5° |
| C11 | N10 | H42 | 117.9° | 120.0° |
| N15 | C14 | C13 | 112.7° | 110.1° |
| N15 | C14 | O18 | 120.1° | 125.0° |
| C14 | N15 | H43 | 127.0° | 124.4° |
| C12 | C13 | C14 | 111.5° | 110.5° |
| C13 | C12 | H12 | 108.6° | 109.5° |
| C13 | C12 | H13 | 108.6° | 109.5° |
| C12 | C13 | H14 | 110.6° | 110.4° |
| C13 | C14 | O18 | 127.2° | 124.9° |
| C14 | C13 | H14 | 111.0° | 110.5° |
| C25 | C36 | C23 | 93.1° | 87.0° |
| C36 | C25 | C24 | 85.1° | 87.4° |
| C36 | C25 | C35 | 111.1° | 113.5° |
| C25 | C36 | H39 | 113.4° | 113.7° |
| C25 | C36 | H40 | 113.4° | 113.6° |
| C36 | C23 | O22 | 112.1° | 113.7° |
| C36 | C23 | C24 | 85.7° | 87.1° |
| C36 | C23 | H21 | 112.8° | 113.6° |
| C23 | C36 | H39 | 113.4° | 113.6° |
| C23 | C36 | H40 | 113.4° | 113.6° |
| N10 | C09 | C04 | 127.1° | 120.0° |
| C09 | N10 | H42 | 118.0° | 120.0° |
| C09 | C04 | N03 | 113.0° | 109.5° |
| C09 | C04 | C05 | 108.7° | 109.4° |
| C09 | C04 | H1 | 108.1° | 109.5° |
| C24 | C25 | C35 | 119.0° | 113.5° |
| C25 | C24 | C23 | 92.4° | 87.0° |
| C25 | C24 | H22 | 113.6° | 113.6° |
| C25 | C24 | H23 | 113.5° | 113.7° |
| C25 | C35 | C34 | 114.7° | 109.1° |
| C25 | C35 | H37 | 108.1° | 109.5° |
| C25 | C35 | H38 | 108.1° | 109.5° |
| C23 | O22 | C02 | 118.7° | 117.0° |
| O22 | C23 | C24 | 114.9° | 113.6° |
| O22 | C23 | H21 | 115.2° | 112.8° |
| O22 | C02 | N03 | 122.8° | 120.0° |
| O22 | C02 | O01 | 116.3° | 120.0° |
| C35 | C34 | H35 | 108.0° | 109.6° |
| C35 | C34 | H36 | 108.0° | 109.6° |
| C34 | C35 | H37 | 108.2° | 109.5° |
| C34 | C35 | H38 | 108.2° | 109.5° |
| C02 | N03 | C04 | 123.0° | 120.0° |
| N03 | C02 | O01 | 120.9° | 120.0° |
| C02 | N03 | H41 | 118.5° | 120.0° |
| N03 | C04 | C05 | 109.6° | 109.5° |
| N03 | C04 | H1 | 109.1° | 109.5° |
| C04 | N03 | H41 | 118.5° | 120.0° |
| C04 | C05 | C06 | 113.4° | 109.5° |
| C05 | C04 | H1 | 108.2° | 109.5° |
| C04 | C05 | H2 | 108.5° | 109.4° |
| C04 | C05 | H3 | 108.5° | 109.4° |
| C05 | C06 | C07 | 112.1° | 109.5° |
| C05 | C06 | C08 | 112.5° | 109.5° |
| C06 | C05 | H2 | 108.5° | 109.5° |
| C06 | C05 | H3 | 108.5° | 109.5° |
| C05 | C06 | H4 | 106.8° | 109.5° |
| C24 | C23 | H21 | 112.7° | 113.6° |
| C23 | C24 | H22 | 113.5° | 113.6° |
| C23 | C24 | H23 | 113.5° | 113.6° |
| C07 | C06 | C08 | 111.0° | 109.4° |
| C07 | C06 | H4 | 107.2° | 109.4° |
| C06 | C07 | H5 | 109.5° | 109.5° |
| C06 | C07 | H6 | 109.5° | 109.5° |
| C06 | C07 | H7 | 109.5° | 109.4° |
| C08 | C06 | H4 | 107.0° | 109.5° |
| C06 | C08 | H8 | 109.5° | 109.5° |
| C06 | C08 | H9 | 109.4° | 109.5° |
| C06 | C08 | H10 | 109.4° | 109.5° |
| H2 | C05 | H3 | 109.5° | 109.5° |
| H5 | C07 | H6 | 109.5° | 109.5° |
| H5 | C07 | H7 | 109.5° | 109.5° |
| H6 | C07 | H7 | 109.5° | 109.5° |
| H8 | C08 | H9 | 109.5° | 109.4° |
| H8 | C08 | H10 | 109.5° | 109.5° |
| H9 | C08 | H10 | 109.5° | 109.5° |
| H12 | C12 | H13 | 109.5° | 109.5° |
| H15 | C16 | H16 | 109.5° | 110.2° |
| H17 | C17 | H18 | 109.5° | 110.9° |
| H19 | C19 | S1 | 92.8° | 109.4° |
| H22 | C24 | H23 | 109.5° | 112.9° |
| H24 | C26 | H25 | 109.5° | 109.6° |
| H26 | C27 | H27 | 109.4° | 109.7° |
| H29 | C31 | H30 | 109.5° | 109.4° |
| H29 | C31 | H31 | 109.5° | 109.5° |
| H30 | C31 | H31 | 109.5° | 109.5° |
| H32 | C32 | H33 | 109.5° | 109.4° |
| H32 | C32 | H34 | 109.5° | 109.4° |
| H33 | C32 | H34 | 109.5° | 109.5° |
| H35 | C34 | H36 | 109.5° | 109.6° |
| H37 | C35 | H38 | 109.5° | 109.5° |
| H39 | C36 | H40 | 109.5° | 112.9° |
| C19 | S1 | O1 | 90.0° | 110.5° |
| C19 | S1 | O3 | 90.0° | 104.4° |
| C19 | S1 | O2 | 90.0° | 110.5° |
| O1 | S1 | O3 | 90.0° | 104.3° |
| O1 | S1 | O2 | 90.0° | 121.0° |
| O3 | S1 | O2 | 90.0° | 104.3° |
| S1 | O3 | H20 | 90.0° | 113.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C31 | C30 | C32 | C29 | 127.8° | 120.0° |
| C31 | C30 | C32 | H28 | 115.5° | 120.0° |
| C31 | C30 | C29 | H28 | 117.6° | 119.9° |
| C31 | C30 | C29 | N28 | 91.7° | 154.2° |
| C31 | C30 | C29 | O33 | 88.6° | 25.9° |
| C30 | C31 | H29 | H30 | 120.0° | 120.0° |
| C30 | C31 | H29 | H31 | 120.0° | 120.1° |
| C30 | C31 | H30 | H31 | 120.0° | 120.0° |
| C31 | C30 | C32 | H32 | 180.0° | 180.0° |
| C31 | C30 | C32 | H33 | 60.0° | 60.1° |
| C31 | C30 | C32 | H34 | 60.0° | 60.0° |
| C16 | C17 | C13 | H17 | 119.2° | 118.1° |
| C16 | C17 | C13 | H18 | 119.2° | 118.1° |
| C17 | C16 | N15 | H15 | 119.7° | 119.0° |
| C17 | C16 | N15 | H16 | 119.8° | 119.1° |
| C17 | C16 | N15 | C14 | 15.0° | 17.0° |
| C16 | C17 | C13 | C12 | 141.6° | 93.9° |
| C16 | C17 | C13 | C14 | 22.8° | 24.8° |
| C16 | C17 | C13 | H14 | 95.7° | 143.6° |
| C17 | C16 | H15 | H16 | 120.7° | 122.0° |
| C16 | C17 | H17 | H18 | 122.2° | 123.8° |
| C17 | C16 | N15 | H43 | 165.1° | 163.0° |
| C13 | C17 | C16 | N15 | 24.1° | 25.4° |
| C17 | C13 | C12 | C11 | 80.5° | 178.7° |
| C17 | C13 | C14 | N15 | 14.9° | 16.3° |
| C17 | C13 | C12 | C14 | 113.2° | 114.8° |
| C17 | C13 | C12 | H14 | 122.7° | 122.6° |
| C17 | C13 | C14 | H14 | 118.3° | 118.8° |
| C17 | C13 | C14 | O18 | 166.1° | 163.7° |
| C17 | C13 | C12 | H12 | 159.0° | 61.3° |
| C17 | C13 | C12 | H13 | 40.0° | 58.8° |
| C13 | C17 | C16 | H15 | 143.8° | 93.6° |
| C13 | C17 | C16 | H16 | 95.7° | 144.5° |
| C13 | C17 | H17 | H18 | 122.2° | 123.9° |
| C26 | C27 | N28 | H26 | 120.4° | 119.8° |
| C26 | C27 | N28 | H27 | 120.4° | 119.8° |
| C27 | C26 | C25 | H24 | 121.0° | 119.9° |
| C27 | C26 | C25 | H25 | 120.9° | 119.9° |
| C26 | C27 | N28 | C29 | 127.6° | 124.5° |
| C26 | C27 | N28 | C34 | 54.4° | 55.5° |
| C27 | C26 | C25 | C36 | 90.1° | 73.4° |
| C27 | C26 | C25 | C24 | 175.7° | 171.2° |
| C27 | C26 | C25 | C35 | 44.7° | 57.7° |
| C27 | C26 | H24 | H25 | 117.1° | 120.2° |
| C26 | C27 | H26 | H27 | 118.8° | 120.4° |
| C27 | N28 | C29 | C30 | 1.1° | 175.1° |
| N28 | C27 | C26 | C25 | 52.9° | 52.5° |
| C27 | N28 | C29 | C34 | 177.7° | 180.0° |
| C27 | N28 | C29 | O33 | 179.2° | 5.0° |
| C27 | N28 | C34 | C35 | 52.7° | 55.5° |
| N28 | C27 | C26 | H24 | 68.1° | 172.4° |
| N28 | C27 | C26 | H25 | 173.8° | 67.4° |
| N28 | C27 | H26 | H27 | 118.8° | 120.3° |
| C27 | N28 | C34 | H35 | 68.2° | 175.3° |
| C27 | N28 | C34 | H36 | 173.6° | 64.3° |
| C32 | C30 | C29 | H28 | 116.9° | 120.1° |
| C32 | C30 | C29 | N28 | 142.8° | 85.8° |
| C32 | C30 | C29 | O33 | 36.9° | 94.1° |
| C32 | C30 | C31 | H29 | 180.0° | 55.0° |
| C32 | C30 | C31 | H30 | 60.0° | 65.0° |
| C32 | C30 | C31 | H31 | 60.0° | 175.0° |
| C30 | C32 | H32 | H33 | 120.0° | 120.0° |
| C30 | C32 | H32 | H34 | 120.0° | 120.0° |
| C30 | C32 | H33 | H34 | 120.0° | 120.1° |
| C30 | C29 | N28 | O33 | 179.7° | 179.9° |
| C30 | C29 | N28 | C34 | 178.8° | 4.9° |
| C29 | C30 | C31 | H29 | 53.1° | 65.1° |
| C29 | C30 | C31 | H30 | 173.1° | 175.0° |
| C29 | C30 | C31 | H31 | 66.9° | 55.0° |
| C29 | C30 | C32 | H32 | 52.2° | 60.0° |
| C29 | C30 | C32 | H33 | 67.8° | 180.0° |
| C29 | C30 | C32 | H34 | 172.2° | 60.0° |
| C16 | N15 | C14 | H43 | 180.0° | 180.0° |
| C16 | N15 | C14 | C13 | 0.3° | 0.4° |
| C16 | N15 | C14 | O18 | 179.4° | 179.6° |
| N15 | C16 | H15 | H16 | 120.7° | 121.9° |
| N15 | C16 | C17 | H17 | 143.3° | 143.5° |
| N15 | C16 | C17 | H18 | 95.1° | 92.7° |
| O20 | C19 | C11 | H19 | 176.2° | 120.0° |
| O20 | C19 | C11 | S1 | 62.7° | 120.0° |
| O20 | C19 | C11 | C12 | 168.5° | 175.0° |
| O20 | C19 | C11 | N10 | 71.5° | 65.0° |
| O20 | C19 | C11 | H11 | 49.3° | 55.0° |
| O20 | C19 | H19 | S1 | 51.8° | 120.0° |
| O20 | C19 | S1 | O1 | 90.0° | 51.6° |
| O20 | C19 | S1 | O3 | 90.0° | 60.0° |
| O20 | C19 | S1 | O2 | 90.0° | 171.7° |
| O21 | C09 | N10 | C11 | 0.7° | 6.0° |
| O21 | C09 | N10 | C04 | 174.5° | 180.0° |
| O21 | C09 | C04 | N03 | 56.4° | 14.5° |
| O21 | C09 | C04 | C05 | 65.5° | 105.5° |
| O21 | C09 | C04 | H1 | 177.3° | 134.5° |
| O21 | C09 | N10 | H42 | 179.3° | 174.0° |
| C26 | C25 | C36 | C24 | 105.8° | 114.6° |
| C26 | C25 | C36 | C35 | 135.0° | 130.8° |
| C26 | C25 | C36 | C23 | 120.3° | 89.3° |
| C26 | C25 | C24 | C35 | 126.7° | 130.9° |
| C26 | C25 | C35 | C34 | 40.8° | 57.7° |
| C26 | C25 | C24 | C23 | 136.3° | 89.3° |
| C26 | C25 | C24 | H22 | 106.6° | 25.2° |
| C26 | C25 | C24 | H23 | 19.3° | 156.1° |
| C25 | C26 | H24 | H25 | 117.1° | 120.1° |
| C25 | C26 | C27 | H26 | 67.5° | 67.3° |
| C25 | C26 | C27 | H27 | 173.3° | 172.3° |
| C26 | C25 | C35 | H37 | 80.0° | 62.2° |
| C26 | C25 | C35 | H38 | 161.5° | 177.6° |
| C26 | C25 | C36 | H39 | 3.1° | 156.1° |
| C26 | C25 | C36 | H40 | 122.5° | 25.2° |
| C29 | N28 | C34 | C35 | 129.2° | 124.5° |
| C29 | N28 | C27 | H26 | 111.9° | 115.8° |
| C29 | N28 | C27 | H27 | 7.2° | 4.6° |
| N28 | C29 | C30 | H28 | 25.9° | 34.2° |
| C29 | N28 | C34 | H35 | 109.9° | 4.7° |
| C29 | N28 | C34 | H36 | 8.4° | 115.7° |
| C34 | N28 | C29 | O33 | 1.5° | 175.0° |
| N28 | C34 | C35 | C25 | 46.8° | 52.5° |
| N28 | C34 | C35 | H35 | 120.9° | 119.8° |
| N28 | C34 | C35 | H36 | 120.9° | 119.9° |
| C34 | N28 | C27 | H26 | 66.0° | 64.3° |
| C34 | N28 | C27 | H27 | 174.8° | 175.3° |
| N28 | C34 | H35 | H36 | 117.3° | 120.5° |
| N28 | C34 | C35 | H37 | 73.9° | 67.4° |
| N28 | C34 | C35 | H38 | 167.6° | 172.4° |
| C19 | C11 | C12 | N10 | 119.6° | 119.9° |
| C19 | C11 | C12 | H11 | 119.2° | 120.0° |
| C19 | C11 | N10 | H11 | 120.1° | 120.0° |
| C19 | C11 | C12 | C13 | 179.5° | 175.0° |
| C19 | C11 | N10 | C09 | 110.4° | 85.0° |
| C19 | C11 | C12 | H12 | 60.0° | 65.0° |
| C19 | C11 | C12 | H13 | 58.9° | 55.1° |
| C11 | C19 | H19 | S1 | 123.4° | 120.0° |
| C19 | C11 | N10 | H42 | 69.5° | 95.0° |
| C11 | C19 | O20 | H44 | 180.0° | 60.0° |
| C11 | C19 | S1 | O1 | 90.0° | 68.4° |
| C11 | C19 | S1 | O3 | 90.0° | 180.0° |
| C11 | C19 | S1 | O2 | 90.0° | 68.3° |
| C12 | C11 | N10 | H11 | 120.6° | 120.1° |
| C11 | C12 | C13 | H12 | 120.5° | 120.0° |
| C11 | C12 | C13 | H13 | 120.5° | 120.0° |
| C11 | C12 | C13 | C14 | 166.3° | 66.5° |
| C12 | C11 | N10 | C09 | 130.3° | 155.0° |
| C11 | C12 | H12 | H13 | 118.4° | 120.0° |
| C11 | C12 | C13 | H14 | 42.2° | 56.1° |
| C12 | C11 | C19 | H19 | 15.3° | 55.0° |
| C12 | C11 | N10 | H42 | 49.7° | 24.9° |
| C12 | C11 | C19 | S1 | 128.8° | 65.0° |
| N10 | C11 | C12 | C13 | 61.0° | 65.0° |
| C11 | N10 | C09 | H42 | 180.0° | 180.0° |
| C11 | N10 | C09 | C04 | 175.2° | 173.9° |
| N10 | C11 | C12 | H12 | 59.5° | 55.0° |
| N10 | C11 | C12 | H13 | 178.5° | 175.0° |
| N10 | C11 | C19 | H19 | 104.7° | 174.9° |
| N10 | C11 | C19 | S1 | 8.7° | 55.0° |
| O33 | C29 | C30 | H28 | 153.8° | 145.8° |
| N15 | C14 | C13 | C12 | 132.8° | 102.4° |
| N15 | C14 | C13 | O18 | 179.0° | 180.0° |
| N15 | C14 | C13 | H14 | 103.4° | 135.1° |
| C14 | N15 | C16 | H15 | 134.7° | 102.0° |
| C14 | N15 | C16 | H16 | 104.8° | 136.1° |
| C12 | C13 | C14 | H14 | 123.8° | 122.5° |
| C12 | C13 | C14 | O18 | 48.3° | 77.6° |
| C13 | C12 | C11 | H11 | 60.3° | 55.0° |
| C13 | C12 | H12 | H13 | 118.5° | 120.0° |
| C12 | C13 | C17 | H17 | 99.2° | 24.2° |
| C12 | C13 | C17 | H18 | 22.4° | 148.0° |
| C14 | C13 | C12 | H12 | 45.8° | 53.6° |
| C14 | C13 | C12 | H13 | 73.2° | 173.6° |
| C14 | C13 | C17 | H17 | 142.0° | 142.9° |
| C14 | C13 | C17 | H18 | 96.4° | 93.3° |
| C13 | C14 | N15 | H43 | 179.7° | 179.6° |
| C25 | C36 | C23 | H39 | 117.2° | 114.6° |
| C25 | C36 | C23 | H40 | 117.2° | 114.5° |
| C36 | C25 | C24 | C35 | 111.4° | 114.6° |
| C25 | C36 | C23 | O22 | 129.8° | 89.4° |
| C36 | C25 | C35 | C34 | 99.0° | 73.4° |
| C25 | C36 | C23 | C24 | 14.6° | 25.2° |
| C25 | C36 | C23 | H21 | 98.2° | 139.7° |
| C36 | C25 | C24 | H22 | 131.5° | 139.8° |
| C36 | C25 | C24 | H23 | 102.6° | 89.3° |
| C36 | C25 | C26 | H24 | 149.0° | 46.5° |
| C36 | C25 | C26 | H25 | 30.9° | 166.7° |
| C36 | C25 | C35 | H37 | 140.2° | 166.7° |
| C36 | C25 | C35 | H38 | 21.8° | 46.6° |
| C25 | C36 | H39 | H40 | 127.8° | 131.3° |
| C23 | C36 | C25 | C35 | 104.7° | 139.8° |
| C36 | C23 | O22 | C24 | 95.7° | 97.6° |
| C36 | C23 | O22 | H21 | 130.8° | 131.2° |
| C36 | C23 | O22 | C02 | 129.4° | 112.4° |
| C36 | C23 | C24 | H21 | 112.9° | 114.6° |
| C36 | C23 | C24 | H22 | 131.6° | 139.7° |
| C36 | C23 | C24 | H23 | 102.5° | 89.4° |
| C23 | C36 | H39 | H40 | 127.7° | 131.2° |
| N10 | C09 | C04 | N03 | 118.1° | 165.4° |
| N10 | C09 | C04 | C05 | 120.0° | 74.6° |
| N10 | C09 | C04 | H1 | 2.8° | 45.4° |
| C09 | N10 | C11 | H11 | 9.7° | 35.0° |
| C09 | C04 | N03 | C02 | 54.8° | 158.2° |
| C09 | C04 | N03 | C05 | 121.4° | 120.0° |
| C09 | C04 | N03 | H1 | 120.3° | 120.0° |
| C09 | C04 | C05 | H1 | 117.1° | 120.0° |
| C09 | C04 | C05 | C06 | 174.3° | 71.0° |
| C09 | C04 | C05 | H2 | 65.1° | 169.0° |
| C09 | C04 | C05 | H3 | 53.7° | 49.0° |
| C09 | C04 | N03 | H41 | 125.2° | 21.8° |
| C04 | C09 | N10 | H42 | 4.8° | 6.0° |
| C25 | C24 | C23 | O22 | 126.9° | 89.5° |
| C24 | C25 | C35 | C34 | 164.7° | 171.2° |
| C25 | C24 | C23 | H22 | 117.1° | 114.5° |
| C25 | C24 | C23 | H23 | 117.0° | 114.6° |
| C25 | C24 | C23 | H21 | 98.4° | 139.7° |
| C25 | C24 | H22 | H23 | 128.1° | 131.4° |
| C24 | C25 | C26 | H24 | 54.7° | 51.3° |
| C24 | C25 | C26 | H25 | 63.4° | 68.9° |
| C24 | C25 | C35 | H37 | 43.9° | 68.9° |
| C24 | C25 | C35 | H38 | 74.5° | 51.3° |
| C24 | C25 | C36 | H39 | 102.6° | 89.3° |
| C24 | C25 | C36 | H40 | 131.7° | 139.7° |
| C25 | C35 | C34 | H37 | 120.7° | 119.9° |
| C25 | C35 | C34 | H38 | 120.8° | 119.9° |
| C35 | C25 | C24 | C23 | 97.0° | 139.8° |
| C35 | C25 | C24 | H22 | 20.0° | 105.7° |
| C35 | C25 | C24 | H23 | 146.0° | 25.3° |
| C35 | C25 | C26 | H24 | 76.2° | 177.6° |
| C35 | C25 | C26 | H25 | 165.6° | 62.2° |
| C25 | C35 | C34 | H35 | 74.0° | 172.3° |
| C25 | C35 | C34 | H36 | 167.7° | 67.4° |
| C25 | C35 | H37 | H38 | 117.6° | 120.2° |
| C35 | C25 | C36 | H39 | 138.2° | 25.3° |
| C35 | C25 | C36 | H40 | 12.5° | 105.7° |
| C23 | O22 | C02 | N03 | 147.9° | 179.7° |
| O22 | C23 | C24 | H21 | 134.7° | 130.8° |
| C23 | O22 | C02 | O01 | 33.7° | 0.0° |
| O22 | C23 | C24 | H22 | 116.0° | 25.0° |
| O22 | C23 | C24 | H23 | 9.9° | 155.9° |
| O22 | C23 | C36 | H39 | 12.6° | 156.0° |
| O22 | C23 | C36 | H40 | 113.1° | 25.1° |
| O22 | C02 | N03 | O01 | 178.3° | 179.7° |
| O22 | C02 | N03 | C04 | 158.3° | 174.7° |
| C02 | O22 | C23 | C24 | 134.9° | 150.0° |
| C02 | O22 | C23 | H21 | 1.4° | 18.8° |
| O22 | C02 | N03 | H41 | 21.7° | 5.3° |
| C35 | C34 | H35 | H36 | 117.3° | 120.3° |
| C34 | C35 | H37 | H38 | 117.6° | 120.2° |
| O18 | C14 | C13 | H14 | 75.6° | 45.0° |
| O18 | C14 | N15 | H43 | 0.6° | 0.4° |
| C02 | N03 | C04 | H41 | 180.0° | 180.0° |
| C02 | N03 | C04 | C05 | 176.2° | 81.8° |
| C02 | N03 | C04 | H1 | 65.5° | 38.2° |
| N03 | C04 | C05 | H1 | 118.9° | 120.0° |
| N03 | C04 | C05 | C06 | 61.7° | 169.0° |
| C04 | N03 | C02 | O01 | 20.0° | 5.0° |
| N03 | C04 | C05 | H2 | 58.9° | 49.0° |
| N03 | C04 | C05 | H3 | 177.7° | 71.0° |
| C04 | C05 | C06 | H2 | 120.6° | 120.0° |
| C04 | C05 | C06 | H3 | 120.6° | 120.0° |
| C04 | C05 | C06 | C07 | 175.8° | 66.5° |
| C04 | C05 | C06 | C08 | 58.3° | 173.5° |
| C04 | C05 | H2 | H3 | 118.2° | 120.0° |
| C04 | C05 | C06 | H4 | 58.8° | 53.5° |
| C05 | C04 | N03 | H41 | 3.8° | 98.2° |
| C05 | C06 | C07 | C08 | 126.7° | 120.0° |
| C05 | C06 | C07 | H4 | 116.8° | 120.0° |
| C05 | C06 | C08 | H4 | 116.9° | 120.0° |
| C06 | C05 | C04 | H1 | 57.2° | 48.9° |
| C06 | C05 | H2 | H3 | 118.2° | 120.1° |
| C05 | C06 | C07 | H5 | 180.0° | 175.9° |
| C05 | C06 | C07 | H6 | 60.0° | 55.9° |
| C05 | C06 | C07 | H7 | 60.0° | 64.1° |
| C05 | C06 | C08 | H8 | 180.0° | 60.0° |
| C05 | C06 | C08 | H9 | 60.0° | 180.0° |
| C05 | C06 | C08 | H10 | 60.0° | 60.0° |
| C23 | C24 | H22 | H23 | 128.0° | 131.3° |
| C24 | C23 | C36 | H39 | 102.6° | 89.4° |
| C24 | C23 | C36 | H40 | 131.8° | 139.7° |
| O01 | C02 | N03 | H41 | 160.0° | 175.0° |
| C07 | C06 | C08 | H4 | 116.6° | 119.9° |
| C07 | C06 | C05 | H2 | 55.3° | 53.5° |
| C07 | C06 | C05 | H3 | 63.6° | 173.5° |
| C06 | C07 | H5 | H6 | 120.0° | 120.0° |
| C06 | C07 | H5 | H7 | 120.0° | 120.0° |
| C06 | C07 | H6 | H7 | 120.0° | 119.9° |
| C07 | C06 | C08 | H8 | 53.5° | 180.0° |
| C07 | C06 | C08 | H9 | 66.4° | 60.0° |
| C07 | C06 | C08 | H10 | 173.5° | 60.0° |
| C08 | C06 | C05 | H2 | 178.9° | 66.5° |
| C08 | C06 | C05 | H3 | 62.3° | 53.6° |
| C08 | C06 | C07 | H5 | 53.3° | 64.1° |
| C08 | C06 | C07 | H6 | 173.3° | 175.9° |
| C08 | C06 | C07 | H7 | 66.7° | 55.9° |
| C06 | C08 | H8 | H9 | 120.0° | 120.0° |
| C06 | C08 | H8 | H10 | 120.0° | 120.0° |
| C06 | C08 | H9 | H10 | 120.0° | 120.0° |
| H1 | C04 | C05 | H2 | 177.7° | 71.1° |
| H1 | C04 | C05 | H3 | 63.4° | 168.9° |
| H1 | C04 | N03 | H41 | 114.5° | 141.8° |
| H2 | C05 | C06 | H4 | 61.8° | 173.5° |
| H3 | C05 | C06 | H4 | 179.4° | 66.5° |
| H4 | C06 | C07 | H5 | 63.2° | 55.9° |
| H4 | C06 | C07 | H6 | 56.8° | 64.1° |
| H4 | C06 | C07 | H7 | 176.8° | 175.9° |
| H4 | C06 | C08 | H8 | 63.1° | 60.0° |
| H4 | C06 | C08 | H9 | 177.0° | 59.9° |
| H4 | C06 | C08 | H10 | 56.9° | 180.0° |
| H5 | C07 | H6 | H7 | 120.0° | 120.0° |
| H8 | C08 | H9 | H10 | 120.0° | 120.0° |
| H11 | C11 | C12 | H12 | 179.2° | 175.0° |
| H11 | C11 | C12 | H13 | 60.2° | 64.9° |
| H11 | C11 | C19 | H19 | 134.5° | 65.1° |
| H11 | C11 | N10 | H42 | 170.3° | 145.0° |
| H11 | C11 | C19 | S1 | 112.1° | 175.0° |
| H12 | C12 | C13 | H14 | 78.3° | 176.1° |
| H13 | C12 | C13 | H14 | 162.7° | 63.8° |
| H14 | C13 | C17 | H17 | 23.5° | 98.3° |
| H14 | C13 | C17 | H18 | 145.0° | 25.5° |
| H15 | C16 | C17 | H17 | 96.9° | 24.5° |
| H15 | C16 | C17 | H18 | 24.6° | 148.3° |
| H15 | C16 | N15 | H43 | 45.3° | 78.0° |
| H16 | C16 | C17 | H17 | 23.5° | 97.4° |
| H16 | C16 | C17 | H18 | 145.1° | 26.3° |
| H16 | C16 | N15 | H43 | 75.2° | 43.9° |
| H19 | C19 | O20 | H44 | 4.0° | 180.0° |
| H19 | C19 | S1 | O1 | 90.0° | 171.7° |
| H19 | C19 | S1 | O3 | 90.0° | 60.0° |
| H19 | C19 | S1 | O2 | 90.0° | 51.6° |
| H21 | C23 | C24 | H22 | 18.6° | 105.8° |
| H21 | C23 | C24 | H23 | 144.5° | 25.1° |
| H21 | C23 | C36 | H39 | 144.6° | 25.1° |
| H21 | C23 | C36 | H40 | 19.0° | 105.8° |
| H24 | C26 | C27 | H26 | 171.6° | 52.6° |
| H24 | C26 | C27 | H27 | 52.4° | 67.8° |
| H25 | C26 | C27 | H26 | 53.4° | 172.9° |
| H25 | C26 | C27 | H27 | 65.8° | 52.4° |
| H28 | C30 | C31 | H29 | 64.4° | 175.0° |
| H28 | C30 | C31 | H30 | 55.6° | 55.0° |
| H28 | C30 | C31 | H31 | 175.5° | 65.0° |
| H28 | C30 | C32 | H32 | 64.5° | 60.0° |
| H28 | C30 | C32 | H33 | 175.5° | 59.9° |
| H28 | C30 | C32 | H34 | 55.5° | 180.0° |
| H29 | C31 | H30 | H31 | 120.0° | 120.0° |
| H32 | C32 | H33 | H34 | 120.0° | 120.0° |
| H35 | C34 | C35 | H37 | 165.2° | 52.4° |
| H35 | C34 | C35 | H38 | 46.7° | 67.8° |
| H36 | C34 | C35 | H37 | 47.0° | 172.7° |
| H36 | C34 | C35 | H38 | 71.5° | 52.5° |
| H44 | O20 | C19 | S1 | 69.6° | 60.0° |
| C19 | S1 | O1 | O3 | 90.0° | 111.7° |
| C19 | S1 | O1 | O2 | 90.0° | 131.5° |
| C19 | S1 | O3 | O2 | 90.0° | 116.1° |
| C19 | S1 | O3 | H20 | 90.0° | 180.0° |
| O1 | S1 | O3 | O2 | 90.0° | 127.9° |
| O1 | S1 | O3 | H20 | 90.0° | 64.0° |
| O2 | S1 | O3 | H20 | 90.0° | 63.9° |
