Y7M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C30 | C28 | sing | 1.53Å | 1.55Å | |
| C30 | C31 | sing | 1.53Å | 1.56Å | |
| O18 | C14 | doub | 1.21Å | 1.25Å | |
| C29 | C28 | sing | 1.53Å | 1.53Å | |
| C29 | C24 | sing | 1.53Å | 1.53Å | |
| C28 | C27 | sing | 1.53Å | 1.54Å | |
| C14 | N15 | sing | 1.34Å | 1.40Å | |
| C14 | C13 | sing | 1.51Å | 1.51Å | |
| C31 | C32 | sing | 1.53Å | 1.56Å | |
| C31 | C33 | sing | 1.53Å | 1.55Å | |
| C32 | C24 | sing | 1.53Å | 1.57Å | |
| N15 | C16 | sing | 1.47Å | 1.48Å | |
| C24 | C23 | sing | 1.53Å | 1.58Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C23 | O22 | sing | 1.45Å | 1.43Å | |
| C27 | C26 | sing | 1.53Å | 1.53Å | |
| O01 | C02 | doub | 1.22Å | 1.25Å | |
| C13 | C12 | sing | 1.53Å | 1.54Å | |
| C13 | C17 | sing | 1.55Å | 1.56Å | |
| O22 | C02 | sing | 1.35Å | 1.36Å | |
| C02 | N03 | sing | 1.35Å | 1.37Å | |
| C33 | C26 | sing | 1.53Å | 1.54Å | |
| C16 | C17 | sing | 1.54Å | 1.48Å | |
| C12 | C11 | sing | 1.53Å | 1.58Å | |
| C25 | C26 | sing | 1.53Å | 1.54Å | |
| C07 | C06 | sing | 1.53Å | 1.55Å | |
| N03 | C04 | sing | 1.46Å | 1.46Å | |
| N10 | C11 | sing | 1.47Å | 1.46Å | |
| N10 | C09 | sing | 1.35Å | 1.37Å | |
| C04 | C09 | sing | 1.51Å | 1.52Å | |
| C04 | C05 | sing | 1.53Å | 1.57Å | |
| C11 | C19 | sing | 1.53Å | 1.56Å | |
| C06 | C05 | sing | 1.53Å | 1.56Å | |
| C06 | C08 | sing | 1.53Å | 1.54Å | |
| C09 | O21 | doub | 1.21Å | 1.27Å | |
| C19 | O20 | sing | 1.43Å | 1.44Å | |
| 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 | |
| C19 | S1 | sing | 1.81Å | 1.07Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | 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 | |
| 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 | |
| C32 | H34 | sing | 1.09Å | 1.10Å | |
| C32 | H35 | sing | 1.09Å | 1.10Å | |
| C33 | H36 | sing | 1.09Å | 1.10Å | |
| C33 | H37 | sing | 1.09Å | 1.10Å | |
| N03 | H38 | sing | 0.97Å | 1.00Å | |
| N10 | H39 | sing | 0.97Å | 1.00Å | |
| N15 | H40 | sing | 0.97Å | 1.00Å | |
| O20 | H41 | sing | 0.97Å | 0.95Å | |
| S1 | O1 | doub | 1.42Å | 34.47Å | |
| S1 | O2 | doub | 1.42Å | 34.47Å | |
| S1 | O3 | sing | 1.52Å | 34.47Å | |
| O3 | H20 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | C30 | C31 | 110.9° | 109.5° |
| C30 | C28 | C29 | 106.8° | 109.5° |
| C30 | C28 | C27 | 108.8° | 109.5° |
| C30 | C28 | H28 | 110.2° | 109.5° |
| C28 | C30 | H31 | 109.1° | 109.4° |
| C28 | C30 | H32 | 109.1° | 109.5° |
| C30 | C31 | C32 | 106.8° | 109.5° |
| C30 | C31 | C33 | 109.7° | 109.5° |
| C31 | C30 | H31 | 109.1° | 109.5° |
| C31 | C30 | H32 | 109.1° | 109.5° |
| C30 | C31 | H33 | 110.4° | 109.4° |
| O18 | C14 | N15 | 119.2° | 125.0° |
| O18 | C14 | C13 | 127.8° | 124.9° |
| C28 | C29 | C24 | 110.1° | 109.5° |
| C29 | C28 | C27 | 110.4° | 109.4° |
| C29 | C28 | H28 | 110.4° | 109.5° |
| C28 | C29 | H29 | 109.3° | 109.4° |
| C28 | C29 | H30 | 109.3° | 109.5° |
| C29 | C24 | C32 | 108.3° | 109.5° |
| C29 | C24 | C23 | 108.9° | 109.4° |
| C29 | C24 | C25 | 114.0° | 109.5° |
| C24 | C29 | H29 | 109.3° | 109.5° |
| C24 | C29 | H30 | 109.3° | 109.5° |
| C28 | C27 | C26 | 112.7° | 109.4° |
| C28 | C27 | H26 | 108.6° | 109.5° |
| C28 | C27 | H27 | 108.7° | 109.5° |
| C27 | C28 | H28 | 110.2° | 109.4° |
| N15 | C14 | C13 | 113.0° | 110.1° |
| C14 | N15 | C16 | 105.9° | 111.4° |
| C14 | N15 | H40 | 127.1° | 124.3° |
| C14 | C13 | C12 | 111.4° | 110.5° |
| C14 | C13 | C17 | 102.6° | 104.2° |
| C14 | C13 | H14 | 110.8° | 110.6° |
| C32 | C31 | C33 | 108.8° | 109.5° |
| C31 | C32 | C24 | 110.6° | 109.5° |
| C32 | C31 | H33 | 110.4° | 109.5° |
| C31 | C32 | H34 | 109.2° | 109.5° |
| C31 | C32 | H35 | 109.2° | 109.5° |
| C31 | C33 | C26 | 110.2° | 109.5° |
| C33 | C31 | H33 | 110.5° | 109.5° |
| C31 | C33 | H36 | 109.3° | 109.5° |
| C31 | C33 | H37 | 109.3° | 109.5° |
| C32 | C24 | C23 | 111.5° | 109.5° |
| C32 | C24 | C25 | 104.5° | 109.5° |
| C24 | C32 | H34 | 109.2° | 109.4° |
| C24 | C32 | H35 | 109.2° | 109.5° |
| N15 | C16 | C17 | 110.1° | 105.5° |
| N15 | C16 | H15 | 109.3° | 110.3° |
| N15 | C16 | H16 | 109.3° | 110.3° |
| C16 | N15 | H40 | 127.0° | 124.4° |
| C23 | C24 | C25 | 109.6° | 109.5° |
| C24 | C23 | O22 | 104.7° | 109.5° |
| C24 | C23 | H21 | 110.6° | 109.4° |
| C24 | C23 | H22 | 110.7° | 109.5° |
| C24 | C25 | C26 | 111.9° | 109.5° |
| C24 | C25 | H23 | 108.8° | 109.5° |
| C24 | C25 | H24 | 108.9° | 109.4° |
| C23 | O22 | C02 | 115.5° | 117.0° |
| O22 | C23 | H21 | 110.7° | 109.5° |
| O22 | C23 | H22 | 110.7° | 109.5° |
| C27 | C26 | C33 | 107.6° | 109.5° |
| C27 | C26 | C25 | 109.2° | 109.5° |
| C27 | C26 | H25 | 110.6° | 109.5° |
| C26 | C27 | H26 | 108.7° | 109.4° |
| C26 | C27 | H27 | 108.7° | 109.5° |
| O01 | C02 | O22 | 118.5° | 120.0° |
| O01 | C02 | N03 | 123.5° | 120.0° |
| C12 | C13 | C17 | 111.3° | 110.5° |
| C13 | C12 | C11 | 111.8° | 109.5° |
| C13 | C12 | H12 | 108.9° | 109.4° |
| C13 | C12 | H13 | 108.9° | 109.5° |
| C12 | C13 | H14 | 110.4° | 110.4° |
| C13 | C17 | C16 | 104.1° | 101.7° |
| C17 | C13 | H14 | 110.2° | 110.5° |
| C13 | C17 | H17 | 110.8° | 110.9° |
| C13 | C17 | H18 | 110.8° | 111.0° |
| O22 | C02 | N03 | 118.0° | 120.0° |
| C02 | N03 | C04 | 118.3° | 120.0° |
| C02 | N03 | H38 | 120.8° | 120.0° |
| C33 | C26 | C25 | 108.4° | 109.5° |
| C33 | C26 | H25 | 110.4° | 109.5° |
| C26 | C33 | H36 | 109.3° | 109.5° |
| C26 | C33 | H37 | 109.3° | 109.5° |
| C17 | C16 | H15 | 109.3° | 110.3° |
| C17 | C16 | H16 | 109.3° | 110.2° |
| C16 | C17 | H17 | 110.8° | 111.0° |
| C16 | C17 | H18 | 110.8° | 111.0° |
| C12 | C11 | N10 | 107.0° | 109.5° |
| C12 | C11 | C19 | 112.7° | 109.5° |
| C12 | C11 | H11 | 109.6° | 109.5° |
| C11 | C12 | H12 | 108.9° | 109.5° |
| C11 | C12 | H13 | 108.9° | 109.5° |
| C26 | C25 | H23 | 108.8° | 109.5° |
| C26 | C25 | H24 | 108.8° | 109.5° |
| C25 | C26 | H25 | 110.5° | 109.5° |
| C07 | C06 | C05 | 112.2° | 109.5° |
| C07 | C06 | C08 | 110.0° | 109.5° |
| C07 | C06 | H4 | 108.2° | 109.4° |
| C06 | C07 | H5 | 109.5° | 109.5° |
| C06 | C07 | H6 | 109.5° | 109.5° |
| C06 | C07 | H7 | 109.5° | 109.5° |
| N03 | C04 | C09 | 107.6° | 109.4° |
| N03 | C04 | C05 | 110.5° | 109.5° |
| N03 | C04 | H1 | 109.9° | 109.5° |
| C04 | N03 | H38 | 120.8° | 120.1° |
| C11 | N10 | C09 | 122.0° | 120.0° |
| N10 | C11 | C19 | 106.3° | 109.5° |
| N10 | C11 | H11 | 111.3° | 109.5° |
| C11 | N10 | H39 | 119.0° | 120.0° |
| N10 | C09 | C04 | 120.7° | 120.0° |
| N10 | C09 | O21 | 118.8° | 120.0° |
| C09 | N10 | H39 | 119.0° | 120.1° |
| C09 | C04 | C05 | 111.3° | 109.4° |
| C04 | C09 | O21 | 120.4° | 120.0° |
| C09 | C04 | H1 | 109.2° | 109.5° |
| C04 | C05 | C06 | 110.0° | 109.5° |
| C05 | C04 | H1 | 108.4° | 109.5° |
| C04 | C05 | H2 | 109.3° | 109.5° |
| C04 | C05 | H3 | 109.4° | 109.5° |
| C11 | C19 | O20 | 107.1° | 109.5° |
| C19 | C11 | H11 | 109.9° | 109.5° |
| C11 | C19 | H19 | 106.3° | 109.5° |
| C11 | C19 | S1 | 110.7° | 109.5° |
| C05 | C06 | C08 | 110.1° | 109.5° |
| C06 | C05 | H2 | 109.4° | 109.4° |
| C06 | C05 | H3 | 109.3° | 109.4° |
| C05 | C06 | H4 | 108.0° | 109.5° |
| C08 | C06 | H4 | 108.3° | 109.5° |
| C06 | C08 | H8 | 109.5° | 109.5° |
| C06 | C08 | H9 | 109.4° | 109.4° |
| C06 | C08 | H10 | 109.5° | 109.5° |
| O20 | C19 | H19 | 107.6° | 109.5° |
| O20 | C19 | S1 | 110.7° | 109.5° |
| C19 | O20 | H41 | 109.5° | 114.0° |
| H2 | C05 | H3 | 109.5° | 109.5° |
| H5 | C07 | H6 | 109.4° | 109.4° |
| H5 | C07 | H7 | 109.5° | 109.5° |
| H6 | C07 | H7 | 109.5° | 109.5° |
| H8 | C08 | H9 | 109.5° | 109.5° |
| H8 | C08 | H10 | 109.4° | 109.5° |
| H9 | C08 | H10 | 109.5° | 109.5° |
| H12 | C12 | H13 | 109.5° | 109.5° |
| H15 | C16 | H16 | 109.5° | 110.1° |
| H17 | C17 | H18 | 109.5° | 110.9° |
| H19 | C19 | S1 | 114.1° | 109.5° |
| C19 | S1 | O1 | 142.1° | 110.6° |
| C19 | S1 | O2 | 142.1° | 110.5° |
| C19 | S1 | O3 | 142.1° | 104.5° |
| H21 | C23 | H22 | 109.5° | 109.5° |
| H23 | C25 | H24 | 109.5° | 109.4° |
| H26 | C27 | H27 | 109.5° | 109.5° |
| H29 | C29 | H30 | 109.5° | 109.4° |
| H31 | C30 | H32 | 109.5° | 109.4° |
| H34 | C32 | H35 | 109.5° | 109.4° |
| H36 | C33 | H37 | 109.5° | 109.4° |
| O1 | S1 | O2 | 0.0° | 121.0° |
| O1 | S1 | O3 | 0.0° | 104.3° |
| O2 | S1 | O3 | 0.0° | 104.3° |
| S1 | O3 | H20 | 90.0° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | C30 | C31 | H31 | 120.2° | 120.0° |
| C28 | C30 | C31 | H32 | 120.2° | 120.0° |
| C30 | C28 | C29 | C27 | 118.1° | 120.0° |
| C30 | C28 | C29 | H28 | 119.7° | 120.1° |
| C30 | C28 | C29 | C24 | 63.8° | 60.0° |
| C30 | C28 | C27 | H28 | 120.9° | 120.0° |
| C28 | C30 | C31 | C32 | 60.7° | 60.0° |
| C28 | C30 | C31 | C33 | 57.0° | 60.0° |
| C30 | C28 | C27 | C26 | 58.9° | 60.0° |
| C30 | C28 | C27 | H26 | 61.6° | 179.9° |
| C30 | C28 | C27 | H27 | 179.3° | 60.0° |
| C30 | C28 | C29 | H29 | 176.1° | 60.1° |
| C30 | C28 | C29 | H30 | 56.2° | 180.0° |
| C28 | C30 | H31 | H32 | 119.4° | 119.9° |
| C28 | C30 | C31 | H33 | 179.1° | 180.0° |
| C31 | C30 | C28 | C29 | 63.6° | 60.0° |
| C31 | C30 | C28 | C27 | 55.6° | 60.0° |
| C30 | C31 | C32 | C33 | 118.4° | 120.0° |
| C30 | C31 | C32 | H33 | 120.2° | 119.9° |
| C30 | C31 | C33 | H33 | 122.0° | 119.9° |
| C30 | C31 | C32 | C24 | 57.9° | 60.0° |
| C30 | C31 | C33 | C26 | 59.5° | 60.0° |
| C31 | C30 | C28 | H28 | 176.6° | 180.0° |
| C31 | C30 | H31 | H32 | 119.3° | 120.1° |
| C30 | C31 | C32 | H34 | 62.2° | 180.0° |
| C30 | C31 | C32 | H35 | 178.1° | 60.0° |
| C30 | C31 | C33 | H36 | 179.6° | 60.0° |
| C30 | C31 | C33 | H37 | 60.6° | 179.9° |
| O18 | C14 | N15 | C13 | 179.7° | 180.0° |
| O18 | C14 | N15 | C16 | 179.1° | 179.6° |
| O18 | C14 | C13 | C12 | 49.6° | 45.1° |
| O18 | C14 | C13 | C17 | 168.8° | 163.8° |
| O18 | C14 | C13 | H14 | 73.6° | 77.5° |
| O18 | C14 | N15 | H40 | 1.0° | 0.4° |
| C28 | C29 | C24 | H29 | 120.1° | 120.0° |
| C28 | C29 | C24 | H30 | 120.1° | 120.1° |
| C29 | C28 | C27 | H28 | 122.3° | 120.0° |
| C28 | C29 | C24 | C32 | 62.3° | 60.0° |
| C28 | C29 | C24 | C23 | 176.3° | 180.0° |
| C28 | C29 | C24 | C25 | 53.6° | 60.0° |
| C29 | C28 | C27 | C26 | 58.0° | 60.0° |
| C29 | C28 | C27 | H26 | 178.5° | 60.0° |
| C29 | C28 | C27 | H27 | 62.5° | 180.0° |
| C28 | C29 | H29 | H30 | 119.7° | 120.0° |
| C29 | C28 | C30 | H31 | 56.7° | 60.1° |
| C29 | C28 | C30 | H32 | 176.3° | 180.0° |
| C24 | C29 | C28 | C27 | 54.3° | 60.0° |
| C29 | C24 | C32 | C31 | 59.6° | 60.0° |
| C29 | C24 | C32 | C23 | 119.8° | 120.0° |
| C29 | C24 | C32 | C25 | 121.9° | 120.0° |
| C29 | C24 | C23 | C25 | 125.3° | 120.0° |
| C29 | C24 | C23 | O22 | 166.9° | 60.0° |
| C29 | C24 | C25 | C26 | 53.8° | 60.0° |
| C29 | C24 | C23 | H21 | 73.9° | 180.0° |
| C29 | C24 | C23 | H22 | 47.6° | 60.1° |
| C29 | C24 | C25 | H23 | 66.5° | 60.0° |
| C29 | C24 | C25 | H24 | 174.1° | 179.9° |
| C24 | C29 | C28 | H28 | 176.4° | 180.0° |
| C24 | C29 | H29 | H30 | 119.7° | 120.0° |
| C29 | C24 | C32 | H34 | 60.6° | 179.9° |
| C29 | C24 | C32 | H35 | 179.7° | 60.0° |
| C28 | C27 | C26 | H26 | 120.5° | 120.0° |
| C28 | C27 | C26 | H27 | 120.5° | 119.9° |
| C28 | C27 | C26 | C33 | 61.0° | 60.0° |
| C28 | C27 | C26 | C25 | 56.5° | 60.0° |
| C28 | C27 | C26 | H25 | 178.4° | 180.0° |
| C28 | C27 | H26 | H27 | 118.5° | 120.0° |
| C27 | C28 | C29 | H29 | 65.8° | 180.0° |
| C27 | C28 | C29 | H30 | 174.3° | 60.0° |
| C27 | C28 | C30 | H31 | 175.8° | 180.0° |
| C27 | C28 | C30 | H32 | 64.6° | 60.1° |
| C14 | N15 | C16 | H40 | 180.0° | 180.0° |
| N15 | C14 | C13 | C12 | 130.8° | 134.9° |
| N15 | C14 | C13 | C17 | 11.6° | 16.2° |
| C14 | N15 | C16 | C17 | 13.7° | 17.0° |
| N15 | C14 | C13 | H14 | 106.0° | 102.5° |
| C14 | N15 | C16 | H15 | 106.3° | 136.1° |
| C14 | N15 | C16 | H16 | 133.8° | 102.0° |
| C13 | C14 | N15 | C16 | 0.6° | 0.4° |
| C14 | C13 | C12 | C17 | 113.8° | 114.8° |
| C14 | C13 | C12 | H14 | 123.5° | 122.7° |
| C14 | C13 | C17 | H14 | 118.0° | 118.8° |
| C14 | C13 | C17 | C16 | 18.7° | 24.8° |
| C14 | C13 | C12 | C11 | 177.0° | 178.9° |
| C14 | C13 | C12 | H12 | 56.6° | 58.9° |
| C14 | C13 | C12 | H13 | 62.7° | 61.0° |
| C14 | C13 | C17 | H17 | 100.4° | 93.3° |
| C14 | C13 | C17 | H18 | 137.9° | 142.9° |
| C13 | C14 | N15 | H40 | 179.4° | 179.6° |
| C32 | C31 | C33 | H33 | 121.4° | 120.0° |
| C31 | C32 | C24 | H34 | 120.2° | 120.0° |
| C31 | C32 | C24 | H35 | 120.1° | 120.1° |
| C31 | C32 | C24 | C23 | 179.3° | 180.0° |
| C31 | C32 | C24 | C25 | 62.4° | 60.0° |
| C32 | C31 | C33 | C26 | 57.1° | 60.0° |
| C32 | C31 | C30 | H31 | 59.5° | 60.0° |
| C32 | C31 | C30 | H32 | 179.1° | 180.0° |
| C31 | C32 | H34 | H35 | 119.5° | 120.0° |
| C32 | C31 | C33 | H36 | 63.0° | 180.0° |
| C32 | C31 | C33 | H37 | 177.2° | 60.0° |
| C33 | C31 | C32 | C24 | 60.4° | 60.0° |
| C31 | C33 | C26 | C27 | 60.3° | 60.1° |
| C31 | C33 | C26 | H36 | 120.1° | 120.0° |
| C31 | C33 | C26 | H37 | 120.1° | 120.0° |
| C31 | C33 | C26 | C25 | 57.7° | 60.0° |
| C31 | C33 | C26 | H25 | 178.9° | 180.0° |
| C33 | C31 | C30 | H31 | 177.3° | 180.0° |
| C33 | C31 | C30 | H32 | 63.2° | 60.0° |
| C33 | C31 | C32 | H34 | 179.4° | 60.0° |
| C33 | C31 | C32 | H35 | 59.7° | 180.0° |
| C31 | C33 | H36 | H37 | 119.7° | 120.0° |
| C32 | C24 | C23 | C25 | 115.2° | 120.0° |
| C32 | C24 | C23 | O22 | 47.4° | 60.0° |
| C32 | C24 | C25 | C26 | 64.3° | 60.0° |
| C32 | C24 | C23 | H21 | 166.6° | 60.0° |
| C32 | C24 | C23 | H22 | 71.9° | 180.0° |
| C32 | C24 | C25 | H23 | 175.4° | 180.0° |
| C32 | C24 | C25 | H24 | 56.0° | 60.1° |
| C32 | C24 | C29 | H29 | 177.6° | 60.0° |
| C32 | C24 | C29 | H30 | 57.8° | 180.0° |
| C24 | C32 | C31 | H33 | 178.1° | 180.0° |
| C24 | C32 | H34 | H35 | 119.5° | 119.9° |
| N15 | C16 | C17 | C13 | 20.6° | 25.4° |
| N15 | C16 | C17 | H15 | 120.1° | 119.1° |
| N15 | C16 | C17 | H16 | 120.1° | 119.1° |
| N15 | C16 | H15 | H16 | 119.7° | 122.0° |
| N15 | C16 | C17 | H17 | 98.6° | 92.7° |
| N15 | C16 | C17 | H18 | 139.7° | 143.5° |
| C24 | C23 | O22 | H21 | 119.2° | 119.9° |
| C24 | C23 | O22 | H22 | 119.2° | 120.0° |
| C24 | C23 | O22 | C02 | 179.0° | 180.0° |
| C23 | C24 | C25 | C26 | 176.1° | 180.0° |
| C24 | C23 | H21 | H22 | 122.2° | 119.9° |
| C23 | C24 | C25 | H23 | 55.7° | 59.9° |
| C23 | C24 | C25 | H24 | 63.6° | 60.0° |
| C23 | C24 | C29 | H29 | 56.2° | 60.0° |
| C23 | C24 | C29 | H30 | 63.6° | 60.0° |
| C23 | C24 | C32 | H34 | 59.2° | 60.0° |
| C23 | C24 | C32 | H35 | 60.5° | 59.9° |
| C25 | C24 | C23 | O22 | 67.9° | 180.0° |
| C24 | C25 | C26 | C27 | 53.4° | 60.0° |
| C24 | C25 | C26 | C33 | 63.6° | 60.0° |
| C24 | C25 | C26 | H23 | 120.3° | 120.0° |
| C24 | C25 | C26 | H24 | 120.4° | 120.0° |
| C25 | C24 | C23 | H21 | 51.4° | 60.0° |
| C25 | C24 | C23 | H22 | 172.9° | 59.9° |
| C24 | C25 | H23 | H24 | 118.9° | 119.9° |
| C24 | C25 | C26 | H25 | 175.3° | 180.0° |
| C25 | C24 | C29 | H29 | 66.5° | 180.0° |
| C25 | C24 | C29 | H30 | 173.7° | 60.0° |
| C25 | C24 | C32 | H34 | 177.5° | 60.1° |
| C25 | C24 | C32 | H35 | 57.8° | 180.0° |
| C23 | O22 | C02 | O01 | 14.8° | 0.3° |
| C23 | O22 | C02 | N03 | 166.3° | 180.0° |
| O22 | C23 | H21 | H22 | 122.2° | 120.1° |
| C27 | C26 | C33 | C25 | 118.0° | 120.0° |
| C27 | C26 | C33 | H25 | 120.8° | 120.0° |
| C27 | C26 | C25 | H25 | 121.9° | 120.0° |
| C27 | C26 | C25 | H23 | 66.9° | 60.0° |
| C27 | C26 | C25 | H24 | 173.8° | 180.0° |
| C26 | C27 | H26 | H27 | 118.5° | 120.0° |
| C26 | C27 | C28 | H28 | 179.8° | 180.0° |
| C27 | C26 | C33 | H36 | 179.6° | 60.0° |
| C27 | C26 | C33 | H37 | 59.8° | 179.9° |
| O01 | C02 | O22 | N03 | 178.8° | 179.7° |
| O01 | C02 | N03 | C04 | 3.3° | 0.1° |
| O01 | C02 | N03 | H38 | 176.7° | 180.0° |
| C12 | C13 | C17 | H14 | 122.8° | 122.5° |
| C12 | C13 | C17 | C16 | 137.9° | 143.4° |
| C13 | C12 | C11 | H12 | 120.3° | 119.9° |
| C13 | C12 | C11 | H13 | 120.4° | 120.0° |
| C13 | C12 | C11 | N10 | 68.6° | 61.1° |
| C13 | C12 | C11 | C19 | 174.9° | 178.9° |
| C13 | C12 | C11 | H11 | 52.1° | 58.9° |
| C13 | C12 | H12 | H13 | 118.9° | 120.0° |
| C12 | C13 | C17 | H17 | 18.8° | 25.3° |
| C12 | C13 | C17 | H18 | 102.9° | 98.4° |
| C13 | C17 | C16 | H17 | 119.1° | 118.1° |
| C13 | C17 | C16 | H18 | 119.2° | 118.1° |
| C17 | C13 | C12 | C11 | 63.1° | 66.3° |
| C17 | C13 | C12 | H12 | 57.2° | 173.7° |
| C17 | C13 | C12 | H13 | 176.5° | 53.7° |
| C13 | C17 | C16 | H15 | 99.5° | 144.5° |
| C13 | C17 | C16 | H16 | 140.6° | 93.7° |
| C13 | C17 | H17 | H18 | 122.5° | 123.8° |
| O22 | C02 | N03 | C04 | 175.4° | 179.8° |
| C02 | O22 | C23 | H21 | 59.8° | 60.0° |
| C02 | O22 | C23 | H22 | 61.8° | 60.0° |
| O22 | C02 | N03 | H38 | 4.6° | 0.4° |
| C02 | N03 | C04 | H38 | 180.0° | 179.9° |
| C02 | N03 | C04 | C09 | 70.2° | 155.1° |
| C02 | N03 | C04 | C05 | 168.2° | 85.0° |
| C02 | N03 | C04 | H1 | 48.5° | 35.1° |
| C33 | C26 | C25 | H25 | 121.1° | 120.0° |
| C33 | C26 | C25 | H23 | 176.1° | 180.0° |
| C33 | C26 | C25 | H24 | 56.8° | 60.0° |
| C33 | C26 | C27 | H26 | 59.5° | 180.0° |
| C33 | C26 | C27 | H27 | 178.6° | 59.9° |
| C26 | C33 | C31 | H33 | 178.5° | 180.0° |
| C26 | C33 | H36 | H37 | 119.6° | 120.0° |
| C16 | C17 | C13 | H14 | 99.2° | 94.1° |
| C17 | C16 | H15 | H16 | 119.7° | 121.9° |
| C16 | C17 | H17 | H18 | 122.4° | 123.9° |
| C17 | C16 | N15 | H40 | 166.2° | 163.0° |
| C12 | C11 | N10 | C19 | 120.7° | 120.0° |
| C12 | C11 | N10 | H11 | 119.6° | 120.0° |
| C12 | C11 | N10 | C09 | 113.6° | 147.1° |
| C12 | C11 | C19 | H11 | 122.6° | 120.0° |
| C12 | C11 | C19 | O20 | 68.1° | 174.7° |
| C11 | C12 | H12 | H13 | 118.9° | 120.0° |
| C11 | C12 | C13 | H14 | 59.5° | 56.2° |
| C12 | C11 | C19 | H19 | 177.1° | 54.7° |
| C12 | C11 | C19 | S1 | 52.7° | 65.3° |
| C12 | C11 | N10 | H39 | 66.4° | 32.9° |
| C26 | C25 | H23 | H24 | 118.9° | 120.0° |
| C25 | C26 | C27 | H26 | 177.0° | 60.0° |
| C25 | C26 | C27 | H27 | 64.0° | 180.0° |
| C25 | C26 | C33 | H36 | 62.4° | 180.0° |
| C25 | C26 | C33 | H37 | 177.8° | 60.0° |
| C07 | C06 | C05 | C04 | 69.5° | 175.0° |
| C07 | C06 | C05 | C08 | 122.8° | 120.0° |
| C07 | C06 | C05 | H4 | 119.2° | 120.0° |
| C07 | C06 | C08 | H4 | 118.0° | 120.0° |
| C07 | C06 | C05 | H2 | 170.4° | 55.0° |
| C07 | C06 | C05 | H3 | 50.5° | 65.0° |
| C06 | C07 | H5 | H6 | 120.0° | 120.0° |
| C06 | C07 | H5 | H7 | 120.0° | 120.0° |
| C06 | C07 | H6 | H7 | 120.0° | 120.0° |
| C07 | C06 | C08 | H8 | 180.0° | 60.0° |
| C07 | C06 | C08 | H9 | 60.0° | 180.0° |
| C07 | C06 | C08 | H10 | 60.0° | 60.0° |
| N03 | C04 | C09 | N10 | 141.9° | 180.0° |
| N03 | C04 | C09 | C05 | 121.1° | 120.0° |
| N03 | C04 | C09 | H1 | 119.2° | 120.0° |
| N03 | C04 | C05 | H1 | 120.5° | 120.0° |
| N03 | C04 | C05 | C06 | 74.9° | 65.0° |
| N03 | C04 | C09 | O21 | 34.9° | 0.0° |
| N03 | C04 | C05 | H2 | 45.2° | 54.9° |
| N03 | C04 | C05 | H3 | 165.1° | 175.0° |
| C11 | N10 | C09 | H39 | 180.0° | 180.0° |
| C11 | N10 | C09 | C04 | 178.3° | 180.0° |
| N10 | C11 | C19 | H11 | 120.5° | 120.0° |
| C11 | N10 | C09 | O21 | 1.5° | 0.0° |
| N10 | C11 | C19 | O20 | 175.1° | 54.7° |
| N10 | C11 | C12 | H12 | 171.1° | 58.8° |
| N10 | C11 | C12 | H13 | 51.8° | 178.8° |
| N10 | C11 | C19 | H19 | 60.3° | 65.3° |
| N10 | C11 | C19 | S1 | 64.2° | 174.7° |
| N10 | C09 | C04 | O21 | 176.8° | 179.9° |
| N10 | C09 | C04 | C05 | 97.0° | 60.0° |
| C09 | N10 | C11 | C19 | 125.7° | 92.9° |
| N10 | C09 | C04 | H1 | 22.7° | 60.0° |
| C09 | N10 | C11 | H11 | 6.0° | 27.1° |
| C09 | C04 | C05 | H1 | 120.1° | 120.0° |
| C09 | C04 | C05 | C06 | 165.7° | 175.0° |
| C09 | C04 | C05 | H2 | 74.2° | 65.1° |
| C09 | C04 | C05 | H3 | 45.7° | 55.0° |
| C09 | C04 | N03 | H38 | 109.8° | 25.1° |
| C04 | C09 | N10 | H39 | 1.7° | 0.0° |
| C04 | C05 | C06 | H2 | 120.1° | 120.0° |
| C04 | C05 | C06 | H3 | 120.1° | 120.0° |
| C04 | C05 | C06 | C08 | 167.7° | 65.0° |
| C05 | C04 | C09 | O21 | 86.3° | 120.0° |
| C04 | C05 | H2 | H3 | 119.8° | 120.1° |
| C04 | C05 | C06 | H4 | 49.7° | 55.0° |
| C05 | C04 | N03 | H38 | 11.9° | 94.9° |
| C11 | C19 | O20 | H19 | 113.9° | 120.0° |
| C11 | C19 | O20 | S1 | 120.8° | 120.0° |
| C19 | C11 | C12 | H12 | 54.6° | 61.2° |
| C19 | C11 | C12 | H13 | 64.7° | 58.8° |
| C11 | C19 | H19 | S1 | 122.3° | 120.0° |
| C19 | C11 | N10 | H39 | 54.3° | 87.1° |
| C11 | C19 | O20 | H41 | 180.0° | 60.0° |
| C11 | C19 | S1 | O1 | 74.6° | 177.8° |
| C11 | C19 | S1 | O2 | 74.6° | 45.5° |
| C11 | C19 | S1 | O3 | 74.6° | 66.1° |
| C05 | C06 | C08 | H4 | 117.9° | 120.0° |
| C06 | C05 | C04 | H1 | 45.6° | 55.0° |
| C06 | C05 | H2 | H3 | 119.8° | 120.0° |
| C05 | C06 | C07 | H5 | 180.0° | 60.0° |
| C05 | C06 | C07 | H6 | 60.0° | 180.0° |
| C05 | C06 | C07 | H7 | 60.0° | 60.0° |
| C05 | C06 | C08 | H8 | 55.9° | 60.0° |
| C05 | C06 | C08 | H9 | 64.1° | 60.0° |
| C05 | C06 | C08 | H10 | 175.9° | 180.0° |
| C08 | C06 | C05 | H2 | 47.6° | 175.0° |
| C08 | C06 | C05 | H3 | 72.3° | 55.0° |
| C08 | C06 | C07 | H5 | 57.1° | 60.0° |
| C08 | C06 | C07 | H6 | 62.9° | 60.0° |
| C08 | C06 | C07 | H7 | 177.1° | 180.0° |
| C06 | C08 | H8 | H9 | 120.0° | 120.0° |
| C06 | C08 | H8 | H10 | 120.0° | 120.0° |
| C06 | C08 | H9 | H10 | 120.0° | 120.0° |
| O21 | C09 | C04 | H1 | 154.1° | 120.0° |
| O21 | C09 | N10 | H39 | 178.5° | 180.0° |
| O20 | C19 | C11 | H11 | 54.5° | 65.3° |
| O20 | C19 | H19 | S1 | 123.3° | 120.0° |
| O20 | C19 | S1 | O1 | 44.0° | 62.2° |
| O20 | C19 | S1 | O2 | 44.0° | 74.5° |
| O20 | C19 | S1 | O3 | 44.0° | 173.9° |
| H1 | C04 | C05 | H2 | 165.7° | 175.0° |
| H1 | C04 | C05 | H3 | 74.4° | 65.0° |
| H1 | C04 | N03 | H38 | 131.5° | 145.1° |
| H2 | C05 | C06 | H4 | 70.4° | 65.0° |
| H3 | C05 | C06 | H4 | 169.7° | 175.0° |
| H4 | C06 | C07 | H5 | 60.9° | 180.0° |
| H4 | C06 | C07 | H6 | 179.1° | 60.0° |
| H4 | C06 | C07 | H7 | 59.1° | 60.0° |
| H4 | C06 | C08 | H8 | 61.9° | 180.0° |
| H4 | C06 | C08 | H9 | 178.0° | 60.0° |
| H4 | C06 | C08 | H10 | 58.0° | 60.0° |
| H5 | C07 | H6 | H7 | 120.0° | 120.0° |
| H8 | C08 | H9 | H10 | 120.0° | 120.1° |
| H11 | C11 | C12 | H12 | 68.2° | 178.8° |
| H11 | C11 | C12 | H13 | 172.5° | 61.2° |
| H11 | C11 | C19 | H19 | 60.3° | 174.7° |
| H11 | C11 | C19 | S1 | 175.3° | 54.7° |
| H11 | C11 | N10 | H39 | 174.0° | 152.9° |
| H12 | C12 | C13 | H14 | 179.9° | 63.8° |
| H13 | C12 | C13 | H14 | 60.8° | 176.3° |
| H14 | C13 | C17 | H17 | 141.6° | 147.8° |
| H14 | C13 | C17 | H18 | 19.9° | 24.1° |
| H15 | C16 | C17 | H17 | 141.3° | 26.4° |
| H15 | C16 | C17 | H18 | 19.6° | 97.4° |
| H15 | C16 | N15 | H40 | 73.7° | 43.9° |
| H16 | C16 | C17 | H17 | 21.5° | 148.2° |
| H16 | C16 | C17 | H18 | 100.2° | 24.4° |
| H16 | C16 | N15 | H40 | 46.2° | 78.0° |
| H19 | C19 | O20 | H41 | 66.1° | 60.0° |
| H19 | C19 | S1 | O1 | 165.6° | 57.7° |
| H19 | C19 | S1 | O2 | 165.6° | 165.5° |
| H19 | C19 | S1 | O3 | 165.6° | 53.9° |
| S1 | C19 | O20 | H41 | 59.3° | 180.0° |
| C19 | S1 | O1 | O2 | 90.0° | 131.5° |
| C19 | S1 | O1 | O3 | 90.0° | 111.8° |
| C19 | S1 | O2 | O3 | 90.0° | 111.7° |
| C19 | S1 | O3 | H20 | 90.0° | 180.0° |
| H23 | C25 | C26 | H25 | 55.0° | 60.0° |
| H24 | C25 | C26 | H25 | 64.3° | 60.0° |
| H25 | C26 | C27 | H26 | 61.2° | 60.0° |
| H25 | C26 | C27 | H27 | 57.9° | 60.0° |
| H25 | C26 | C33 | H36 | 58.8° | 60.0° |
| H25 | C26 | C33 | H37 | 61.0° | 59.9° |
| H26 | C27 | C28 | H28 | 59.3° | 60.0° |
| H27 | C27 | C28 | H28 | 59.8° | 60.1° |
| H28 | C28 | C29 | H29 | 56.3° | 60.0° |
| H28 | C28 | C29 | H30 | 63.5° | 59.9° |
| H28 | C28 | C30 | H31 | 63.2° | 60.0° |
| H28 | C28 | C30 | H32 | 56.4° | 59.9° |
| H31 | C30 | C31 | H33 | 60.6° | 60.0° |
| H32 | C30 | C31 | H33 | 58.9° | 60.0° |
| H33 | C31 | C32 | H34 | 57.9° | 60.0° |
| H33 | C31 | C32 | H35 | 61.8° | 60.0° |
| H33 | C31 | C33 | H36 | 58.4° | 60.0° |
| H33 | C31 | C33 | H37 | 61.4° | 60.0° |
| O1 | S1 | O2 | O3 | 90.0° | 116.8° |
| O1 | S1 | O3 | H20 | 90.0° | 63.9° |
| O2 | S1 | O3 | H20 | 90.0° | 64.0° |
