B6Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C08 | C06 | sing | 1.53Å | 1.53Å | |
| C07 | C06 | sing | 1.53Å | 1.53Å | |
| C06 | C05 | sing | 1.53Å | 1.54Å | |
| C05 | C04 | sing | 1.53Å | 1.53Å | |
| N03 | C04 | sing | 1.46Å | 1.44Å | |
| N03 | C02 | sing | 1.35Å | 1.44Å | |
| O22 | C02 | sing | 1.35Å | 1.40Å | |
| O22 | C23 | sing | 1.45Å | 1.41Å | |
| C04 | C09 | sing | 1.51Å | 1.54Å | |
| C02 | O01 | doub | 1.22Å | 1.20Å | |
| C09 | O21 | doub | 1.21Å | 1.18Å | |
| C09 | N10 | sing | 1.35Å | 1.46Å | |
| N10 | C11 | sing | 1.47Å | 1.45Å | |
| O20 | C19 | sing | 1.43Å | 1.40Å | |
| C19 | C11 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | C17 | sing | 1.55Å | 1.54Å | |
| C13 | C14 | sing | 1.51Å | 1.59Å | |
| C17 | C16 | sing | 1.54Å | 1.37Å | |
| C16 | N15 | sing | 1.47Å | 1.59Å | |
| C14 | O18 | doub | 1.21Å | 1.19Å | |
| C14 | N15 | sing | 1.34Å | 1.36Å | |
| C19 | S1 | sing | 1.81Å | 1.80Å | |
| 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 | |
| N03 | H23 | sing | 0.97Å | 1.00Å | |
| N10 | H24 | sing | 0.97Å | 1.00Å | |
| N15 | H25 | sing | 0.97Å | 1.00Å | |
| O20 | H26 | sing | 0.97Å | 0.95Å | |
| S1 | O1 | doub | 1.42Å | 19.62Å | |
| S1 | O2 | doub | 1.42Å | 19.62Å | |
| S1 | O3 | sing | 1.52Å | 19.62Å | |
| C23 | C1 | sing | 1.53Å | 23.54Å | |
| C1 | C2 | sing | 1.53Å | 0.00Å | |
| C2 | N1 | sing | 1.47Å | 0.00Å | |
| N1 | C4 | sing | 1.47Å | 0.00Å | |
| C4 | C5 | sing | 1.53Å | 0.00Å | |
| C5 | C23 | sing | 1.53Å | 23.54Å | |
| N1 | C3 | sing | 1.35Å | 0.00Å | |
| C3 | O4 | doub | 1.22Å | 0.00Å | |
| C3 | O5 | sing | 1.35Å | 0.00Å | |
| C23 | C10 | sing | 1.53Å | 23.54Å | |
| O3 | H21 | sing | 0.97Å | 0.00Å | |
| C1 | H22 | sing | 1.09Å | 0.00Å | |
| C1 | H27 | sing | 1.09Å | 0.00Å | |
| C2 | H28 | sing | 1.09Å | 0.00Å | |
| C2 | H29 | sing | 1.09Å | 0.00Å | |
| C4 | H30 | sing | 1.09Å | 0.00Å | |
| C4 | H31 | sing | 1.09Å | 0.00Å | |
| C5 | H32 | sing | 1.09Å | 0.00Å | |
| C5 | H33 | sing | 1.09Å | 0.00Å | |
| O5 | C6 | sing | 1.45Å | 0.00Å | |
| C6 | C7 | sing | 1.53Å | 0.00Å | |
| C6 | C8 | sing | 1.53Å | 0.00Å | |
| C6 | C9 | sing | 1.53Å | 0.00Å | |
| C7 | H34 | sing | 1.09Å | 0.00Å | |
| C7 | H35 | sing | 1.09Å | 0.00Å | |
| C7 | H36 | sing | 1.09Å | 0.00Å | |
| C8 | H37 | sing | 1.09Å | 0.00Å | |
| C8 | H38 | sing | 1.09Å | 0.00Å | |
| C8 | H39 | sing | 1.09Å | 0.00Å | |
| C9 | H40 | sing | 1.09Å | 0.00Å | |
| C9 | H41 | sing | 1.09Å | 0.00Å | |
| C9 | H42 | sing | 1.09Å | 0.00Å | |
| C10 | C15 | sing | 1.53Å | 0.00Å | |
| C10 | H20 | sing | 1.09Å | 0.00Å | |
| C10 | H43 | sing | 1.09Å | 0.00Å | |
| C15 | H44 | sing | 1.09Å | 0.00Å | |
| C15 | H45 | sing | 1.09Å | 0.00Å | |
| C15 | H46 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C08 | C06 | C07 | 110.6° | 109.5° |
| C08 | C06 | C05 | 111.4° | 109.4° |
| C08 | C06 | H4 | 107.9° | 109.4° |
| C06 | C08 | H8 | 109.5° | 109.5° |
| C06 | C08 | H9 | 109.5° | 109.5° |
| C06 | C08 | H10 | 109.5° | 109.5° |
| C07 | C06 | C05 | 111.0° | 109.5° |
| C07 | C06 | H4 | 107.9° | 109.5° |
| C06 | C07 | H5 | 109.5° | 109.5° |
| C06 | C07 | H6 | 109.5° | 109.5° |
| C06 | C07 | H7 | 109.5° | 109.5° |
| C06 | C05 | C04 | 114.3° | 109.5° |
| C06 | C05 | H2 | 108.3° | 109.5° |
| C06 | C05 | H3 | 108.3° | 109.5° |
| C05 | C06 | H4 | 107.8° | 109.5° |
| C05 | C04 | N03 | 109.9° | 109.5° |
| C05 | C04 | C09 | 109.4° | 109.4° |
| C05 | C04 | H1 | 109.5° | 109.5° |
| C04 | C05 | H2 | 108.2° | 109.5° |
| C04 | C05 | H3 | 108.2° | 109.5° |
| C04 | N03 | C02 | 117.9° | 120.0° |
| N03 | C04 | C09 | 108.0° | 109.5° |
| N03 | C04 | H1 | 110.7° | 109.5° |
| C04 | N03 | H23 | 121.1° | 120.1° |
| N03 | C02 | O22 | 118.2° | 120.0° |
| N03 | C02 | O01 | 119.5° | 120.0° |
| C02 | N03 | H23 | 121.1° | 120.0° |
| C02 | O22 | C23 | 114.7° | 117.0° |
| O22 | C02 | O01 | 122.3° | 120.0° |
| O22 | C23 | C1 | 80.1° | 109.4° |
| O22 | C23 | C5 | 80.1° | 109.5° |
| O22 | C23 | C10 | 80.1° | 109.5° |
| C04 | C09 | O21 | 120.9° | 120.0° |
| C04 | C09 | N10 | 120.0° | 120.0° |
| C09 | C04 | H1 | 109.4° | 109.5° |
| O21 | C09 | N10 | 119.0° | 120.0° |
| C09 | N10 | C11 | 120.6° | 120.0° |
| C09 | N10 | H24 | 119.7° | 120.0° |
| N10 | C11 | C19 | 105.2° | 109.5° |
| N10 | C11 | C12 | 109.8° | 109.4° |
| N10 | C11 | H11 | 110.6° | 109.5° |
| C11 | N10 | H24 | 119.7° | 120.0° |
| O20 | C19 | C11 | 107.2° | 109.5° |
| O20 | C19 | S1 | 108.0° | 109.5° |
| O20 | C19 | H19 | 113.4° | 109.5° |
| C19 | O20 | H26 | 109.5° | 113.9° |
| C19 | C11 | C12 | 112.4° | 109.5° |
| C11 | C19 | S1 | 108.7° | 109.5° |
| C19 | C11 | H11 | 109.6° | 109.5° |
| C11 | C19 | H19 | 111.5° | 109.5° |
| C11 | C12 | C13 | 113.9° | 109.5° |
| C12 | C11 | H11 | 109.3° | 109.4° |
| C11 | C12 | H12 | 108.4° | 109.5° |
| C11 | C12 | H13 | 108.4° | 109.4° |
| C12 | C13 | C17 | 111.1° | 110.5° |
| C12 | C13 | C14 | 109.3° | 110.5° |
| C13 | C12 | H12 | 108.3° | 109.5° |
| C13 | C12 | H13 | 108.4° | 109.5° |
| C12 | C13 | H14 | 110.8° | 110.4° |
| C17 | C13 | C14 | 104.6° | 104.2° |
| C13 | C17 | C16 | 106.5° | 101.8° |
| C17 | C13 | H14 | 110.8° | 110.5° |
| C13 | C17 | H17 | 110.2° | 111.0° |
| C13 | C17 | H18 | 110.2° | 111.0° |
| C13 | C14 | O18 | 125.5° | 125.0° |
| C13 | C14 | N15 | 106.9° | 110.1° |
| C14 | C13 | H14 | 110.1° | 110.6° |
| C17 | C16 | N15 | 107.8° | 105.5° |
| C17 | C16 | H15 | 109.9° | 110.3° |
| C17 | C16 | H16 | 109.9° | 110.3° |
| C16 | C17 | H17 | 110.2° | 111.0° |
| C16 | C17 | H18 | 110.2° | 111.0° |
| C16 | N15 | C14 | 108.5° | 111.3° |
| N15 | C16 | H15 | 109.9° | 110.2° |
| N15 | C16 | H16 | 109.9° | 110.2° |
| C16 | N15 | H25 | 125.7° | 124.4° |
| O18 | C14 | N15 | 127.6° | 124.9° |
| C14 | N15 | H25 | 125.7° | 124.3° |
| S1 | C19 | H19 | 108.0° | 109.4° |
| C19 | S1 | O1 | 171.2° | 110.5° |
| C19 | S1 | O2 | 171.2° | 110.5° |
| C19 | S1 | O3 | 171.2° | 104.5° |
| H2 | C05 | H3 | 109.5° | 109.5° |
| H5 | C07 | H6 | 109.5° | 109.5° |
| H5 | C07 | H7 | 109.4° | 109.5° |
| H6 | C07 | H7 | 109.5° | 109.4° |
| H8 | C08 | H9 | 109.5° | 109.5° |
| H8 | C08 | H10 | 109.4° | 109.5° |
| H9 | C08 | H10 | 109.5° | 109.4° |
| H12 | C12 | H13 | 109.5° | 109.4° |
| H15 | C16 | H16 | 109.5° | 110.2° |
| H17 | C17 | H18 | 109.5° | 110.9° |
| O1 | S1 | O2 | 0.0° | 121.0° |
| O1 | S1 | O3 | 0.0° | 104.3° |
| O2 | S1 | O3 | 0.0° | 104.3° |
| S1 | O3 | H21 | 90.0° | 114.0° |
| C23 | C1 | C2 | 90.0° | 109.3° |
| C1 | C23 | C5 | 0.0° | 109.5° |
| C1 | C23 | C10 | 0.0° | 109.5° |
| C23 | C1 | H22 | 90.0° | 109.5° |
| C23 | C1 | H27 | 90.0° | 109.5° |
| C1 | C2 | N1 | 90.0° | 108.8° |
| C2 | C1 | H22 | 90.0° | 109.5° |
| C2 | C1 | H27 | 90.0° | 109.5° |
| C1 | C2 | H28 | 90.0° | 109.5° |
| C1 | C2 | H29 | 90.0° | 109.6° |
| C2 | N1 | C4 | 90.0° | 118.8° |
| C2 | N1 | C3 | 90.0° | 120.6° |
| N1 | C2 | H28 | 90.0° | 109.6° |
| N1 | C2 | H29 | 90.0° | 109.6° |
| N1 | C4 | C5 | 90.0° | 108.8° |
| C4 | N1 | C3 | 90.0° | 120.7° |
| N1 | C4 | H30 | 90.0° | 109.6° |
| N1 | C4 | H31 | 90.0° | 109.6° |
| C4 | C5 | C23 | 90.0° | 109.3° |
| C5 | C4 | H30 | 90.0° | 109.5° |
| C5 | C4 | H31 | 90.0° | 109.6° |
| C4 | C5 | H32 | 90.0° | 109.5° |
| C4 | C5 | H33 | 90.0° | 109.5° |
| C5 | C23 | C10 | 0.0° | 109.5° |
| C23 | C5 | H32 | 90.0° | 109.5° |
| C23 | C5 | H33 | 90.0° | 109.5° |
| N1 | C3 | O4 | 90.0° | 120.0° |
| N1 | C3 | O5 | 90.0° | 120.0° |
| O4 | C3 | O5 | 90.0° | 120.0° |
| C3 | O5 | C6 | 90.0° | 117.0° |
| C23 | C10 | C15 | 90.0° | 109.5° |
| C23 | C10 | H20 | 90.0° | 109.5° |
| C23 | C10 | H43 | 90.0° | 109.4° |
| H22 | C1 | H27 | 90.0° | 109.5° |
| H28 | C2 | H29 | 90.0° | 109.7° |
| H30 | C4 | H31 | 90.0° | 109.7° |
| H32 | C5 | H33 | 90.0° | 109.6° |
| O5 | C6 | C7 | 90.0° | 109.5° |
| O5 | C6 | C8 | 90.0° | 109.5° |
| O5 | C6 | C9 | 90.0° | 109.5° |
| C7 | C6 | C8 | 90.0° | 109.5° |
| C7 | C6 | C9 | 90.0° | 109.5° |
| C6 | C7 | H34 | 90.0° | 109.5° |
| C6 | C7 | H35 | 90.0° | 109.5° |
| C6 | C7 | H36 | 90.0° | 109.4° |
| C8 | C6 | C9 | 90.0° | 109.5° |
| C6 | C8 | H37 | 90.0° | 109.5° |
| C6 | C8 | H38 | 90.0° | 109.5° |
| C6 | C8 | H39 | 90.0° | 109.5° |
| C6 | C9 | H40 | 90.0° | 109.4° |
| C6 | C9 | H41 | 90.0° | 109.5° |
| C6 | C9 | H42 | 90.0° | 109.4° |
| H34 | C7 | H35 | 90.0° | 109.4° |
| H34 | C7 | H36 | 90.0° | 109.5° |
| H35 | C7 | H36 | 90.0° | 109.5° |
| H37 | C8 | H38 | 90.0° | 109.4° |
| H37 | C8 | H39 | 90.0° | 109.5° |
| H38 | C8 | H39 | 90.0° | 109.5° |
| H40 | C9 | H41 | 90.0° | 109.5° |
| H40 | C9 | H42 | 90.0° | 109.4° |
| H41 | C9 | H42 | 90.0° | 109.5° |
| C15 | C10 | H20 | 90.0° | 109.5° |
| C15 | C10 | H43 | 90.0° | 109.5° |
| C10 | C15 | H44 | 90.0° | 109.5° |
| C10 | C15 | H45 | 90.0° | 109.5° |
| C10 | C15 | H46 | 90.0° | 109.5° |
| H20 | C10 | H43 | 90.0° | 109.5° |
| H44 | C15 | H45 | 90.0° | 109.4° |
| H44 | C15 | H46 | 90.0° | 109.4° |
| H45 | C15 | H46 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C08 | C06 | C07 | C05 | 124.2° | 120.0° |
| C08 | C06 | C07 | H4 | 117.8° | 120.0° |
| C08 | C06 | C05 | H4 | 118.2° | 119.9° |
| C08 | C06 | C05 | C04 | 156.0° | 65.0° |
| C08 | C06 | C05 | H2 | 83.3° | 175.0° |
| C08 | C06 | C05 | H3 | 35.3° | 55.0° |
| C08 | C06 | C07 | H5 | 180.0° | 60.0° |
| C08 | C06 | C07 | H6 | 60.0° | 60.0° |
| C08 | C06 | C07 | H7 | 60.0° | 180.0° |
| C06 | C08 | H8 | H9 | 120.0° | 120.1° |
| C06 | C08 | H8 | H10 | 120.0° | 120.0° |
| C06 | C08 | H9 | H10 | 120.0° | 119.9° |
| C07 | C06 | C05 | H4 | 118.0° | 120.1° |
| C07 | C06 | C05 | C04 | 80.3° | 175.0° |
| C07 | C06 | C05 | H2 | 40.4° | 55.0° |
| C07 | C06 | C05 | H3 | 159.0° | 65.0° |
| C06 | C07 | H5 | H6 | 120.0° | 120.0° |
| C06 | C07 | H5 | H7 | 120.0° | 120.1° |
| C06 | C07 | H6 | H7 | 120.0° | 120.0° |
| C07 | C06 | C08 | H8 | 180.0° | 180.0° |
| C07 | C06 | C08 | H9 | 60.0° | 59.9° |
| C07 | C06 | C08 | H10 | 60.0° | 59.9° |
| C06 | C05 | C04 | H2 | 120.7° | 120.0° |
| C06 | C05 | C04 | H3 | 120.7° | 120.0° |
| C06 | C05 | C04 | N03 | 60.2° | 65.0° |
| C06 | C05 | C04 | C09 | 178.6° | 175.0° |
| C06 | C05 | C04 | H1 | 61.6° | 55.0° |
| C06 | C05 | H2 | H3 | 117.8° | 120.0° |
| C05 | C06 | C07 | H5 | 55.8° | 60.0° |
| C05 | C06 | C07 | H6 | 175.9° | 180.0° |
| C05 | C06 | C07 | H7 | 64.2° | 60.0° |
| C05 | C06 | C08 | H8 | 56.0° | 60.0° |
| C05 | C06 | C08 | H9 | 64.0° | 179.9° |
| C05 | C06 | C08 | H10 | 176.0° | 60.1° |
| C05 | C04 | N03 | C09 | 119.2° | 120.0° |
| C05 | C04 | N03 | H1 | 121.0° | 120.0° |
| C05 | C04 | N03 | C02 | 157.9° | 85.0° |
| C05 | C04 | C09 | H1 | 119.9° | 120.0° |
| C05 | C04 | C09 | O21 | 93.5° | 120.0° |
| C05 | C04 | C09 | N10 | 86.5° | 60.0° |
| C04 | C05 | H2 | H3 | 117.8° | 120.0° |
| C04 | C05 | C06 | H4 | 37.8° | 54.9° |
| C05 | C04 | N03 | H23 | 22.1° | 95.0° |
| C04 | N03 | C02 | H23 | 180.0° | 180.0° |
| C04 | N03 | C02 | O22 | 176.5° | 179.7° |
| N03 | C04 | C09 | H1 | 120.6° | 120.0° |
| C04 | N03 | C02 | O01 | 3.5° | 0.0° |
| N03 | C04 | C09 | O21 | 26.0° | 0.0° |
| N03 | C04 | C09 | N10 | 154.0° | 180.0° |
| N03 | C04 | C05 | H2 | 179.1° | 55.0° |
| N03 | C04 | C05 | H3 | 60.5° | 175.0° |
| N03 | C02 | O22 | O01 | 180.0° | 179.8° |
| N03 | C02 | O22 | C23 | 176.5° | 175.3° |
| C02 | N03 | C04 | C09 | 82.9° | 155.0° |
| C02 | N03 | C04 | H1 | 36.9° | 35.0° |
| O22 | C02 | N03 | H23 | 3.5° | 0.2° |
| C02 | O22 | C23 | C1 | 41.4° | 63.0° |
| C02 | O22 | C23 | C5 | 41.4° | 176.9° |
| C02 | O22 | C23 | C10 | 41.4° | 56.9° |
| C23 | O22 | C02 | O01 | 3.5° | 5.0° |
| O22 | C23 | C1 | C5 | 90.0° | 120.0° |
| O22 | C23 | C1 | C10 | 90.0° | 120.0° |
| O22 | C23 | C1 | C2 | 90.0° | 58.7° |
| O22 | C23 | C5 | C4 | 90.0° | 58.6° |
| O22 | C23 | C5 | C10 | 90.0° | 120.0° |
| O22 | C23 | C1 | H22 | 90.0° | 178.6° |
| O22 | C23 | C1 | H27 | 90.0° | 61.3° |
| O22 | C23 | C5 | H32 | 90.0° | 61.3° |
| O22 | C23 | C5 | H33 | 90.0° | 178.6° |
| O22 | C23 | C10 | C15 | 90.0° | 58.0° |
| O22 | C23 | C10 | H20 | 90.0° | 62.1° |
| O22 | C23 | C10 | H43 | 90.0° | 177.9° |
| C04 | C09 | O21 | N10 | 180.0° | 180.0° |
| C04 | C09 | N10 | C11 | 179.7° | 174.8° |
| C09 | C04 | C05 | H2 | 60.7° | 65.0° |
| C09 | C04 | C05 | H3 | 57.9° | 55.0° |
| C09 | C04 | N03 | H23 | 97.1° | 25.0° |
| C04 | C09 | N10 | H24 | 0.4° | 5.1° |
| O01 | C02 | N03 | H23 | 176.4° | 180.0° |
| O21 | C09 | N10 | C11 | 0.3° | 5.1° |
| O21 | C09 | C04 | H1 | 146.6° | 120.0° |
| O21 | C09 | N10 | H24 | 179.7° | 174.9° |
| C09 | N10 | C11 | H24 | 180.0° | 179.9° |
| C09 | N10 | C11 | C19 | 123.4° | 62.0° |
| C09 | N10 | C11 | C12 | 115.4° | 58.1° |
| N10 | C09 | C04 | H1 | 33.4° | 60.0° |
| C09 | N10 | C11 | H11 | 5.2° | 178.0° |
| N10 | C11 | C19 | O20 | 60.9° | 177.6° |
| N10 | C11 | C19 | C12 | 119.4° | 120.0° |
| N10 | C11 | C19 | H11 | 118.9° | 120.0° |
| N10 | C11 | C12 | H11 | 121.4° | 119.9° |
| N10 | C11 | C12 | C13 | 64.3° | 62.1° |
| N10 | C11 | C19 | S1 | 55.6° | 57.6° |
| N10 | C11 | C12 | H12 | 56.4° | 58.0° |
| N10 | C11 | C12 | H13 | 175.1° | 177.9° |
| N10 | C11 | C19 | H19 | 174.5° | 62.4° |
| O20 | C19 | C11 | S1 | 116.4° | 120.0° |
| O20 | C19 | C11 | H19 | 124.6° | 120.1° |
| O20 | C19 | C11 | C12 | 179.7° | 62.4° |
| O20 | C19 | S1 | H19 | 123.0° | 120.0° |
| O20 | C19 | C11 | H11 | 58.0° | 57.6° |
| O20 | C19 | S1 | O1 | 63.5° | 71.1° |
| O20 | C19 | S1 | O2 | 63.5° | 65.7° |
| O20 | C19 | S1 | O3 | 63.5° | 177.3° |
| C19 | C11 | C12 | H11 | 121.9° | 120.0° |
| C19 | C11 | C12 | C13 | 179.0° | 177.8° |
| C11 | C19 | S1 | H19 | 121.1° | 120.0° |
| C19 | C11 | C12 | H12 | 60.3° | 62.1° |
| C19 | C11 | C12 | H13 | 58.4° | 57.8° |
| C19 | C11 | N10 | H24 | 56.6° | 118.0° |
| C11 | C19 | O20 | H26 | 180.0° | 60.0° |
| C11 | C19 | S1 | O1 | 52.4° | 49.0° |
| C11 | C19 | S1 | O2 | 52.4° | 174.3° |
| C11 | C19 | S1 | O3 | 52.4° | 62.7° |
| C11 | C12 | C13 | H12 | 120.7° | 120.1° |
| C11 | C12 | C13 | H13 | 120.6° | 120.0° |
| C11 | C12 | C13 | C17 | 64.0° | 65.5° |
| C11 | C12 | C13 | C14 | 178.9° | 179.6° |
| C12 | C11 | C19 | S1 | 63.9° | 177.6° |
| C11 | C12 | H12 | H13 | 118.0° | 119.9° |
| C11 | C12 | C13 | H14 | 59.6° | 57.0° |
| C12 | C11 | C19 | H19 | 55.1° | 57.6° |
| C12 | C11 | N10 | H24 | 64.6° | 122.0° |
| C12 | C13 | C17 | C14 | 117.8° | 118.7° |
| C12 | C13 | C17 | H14 | 123.6° | 122.5° |
| C12 | C13 | C14 | H14 | 121.9° | 122.6° |
| C12 | C13 | C17 | C16 | 140.6° | 143.5° |
| C12 | C13 | C14 | O18 | 47.7° | 45.0° |
| C12 | C13 | C14 | N15 | 131.7° | 134.9° |
| C13 | C12 | C11 | H11 | 57.1° | 57.8° |
| C13 | C12 | H12 | H13 | 118.0° | 120.0° |
| C12 | C13 | C17 | H17 | 21.1° | 25.4° |
| C12 | C13 | C17 | H18 | 99.8° | 98.4° |
| C17 | C13 | C14 | H14 | 119.0° | 118.7° |
| C13 | C17 | C16 | H17 | 119.5° | 118.1° |
| C13 | C17 | C16 | H18 | 119.6° | 118.1° |
| C13 | C17 | C16 | N15 | 23.6° | 25.4° |
| C17 | C13 | C14 | O18 | 166.7° | 163.8° |
| C17 | C13 | C14 | N15 | 12.7° | 16.2° |
| C17 | C13 | C12 | H12 | 175.4° | 174.4° |
| C17 | C13 | C12 | H13 | 56.7° | 54.5° |
| C13 | C17 | C16 | H15 | 143.3° | 144.4° |
| C13 | C17 | C16 | H16 | 96.2° | 93.6° |
| C13 | C17 | H17 | H18 | 121.4° | 123.8° |
| C14 | C13 | C17 | C16 | 22.8° | 24.8° |
| C13 | C14 | N15 | C16 | 0.8° | 0.4° |
| C13 | C14 | O18 | N15 | 179.2° | 180.0° |
| C14 | C13 | C12 | H12 | 60.4° | 59.6° |
| C14 | C13 | C12 | H13 | 58.2° | 60.4° |
| C14 | C13 | C17 | H17 | 96.7° | 93.3° |
| C14 | C13 | C17 | H18 | 142.4° | 142.9° |
| C13 | C14 | N15 | H25 | 179.2° | 179.5° |
| C17 | C16 | N15 | H15 | 119.7° | 119.0° |
| C17 | C16 | N15 | H16 | 119.7° | 119.1° |
| C17 | C16 | N15 | C14 | 16.0° | 17.0° |
| C16 | C17 | C13 | H14 | 95.7° | 94.0° |
| C17 | C16 | H15 | H16 | 120.8° | 122.0° |
| C16 | C17 | H17 | H18 | 121.3° | 123.8° |
| C17 | C16 | N15 | H25 | 164.0° | 163.0° |
| C16 | N15 | C14 | O18 | 179.8° | 179.6° |
| C16 | N15 | C14 | H25 | 180.0° | 180.0° |
| N15 | C16 | H15 | H16 | 120.8° | 121.9° |
| N15 | C16 | C17 | H17 | 96.0° | 92.7° |
| N15 | C16 | C17 | H18 | 143.1° | 143.5° |
| O18 | C14 | C13 | H14 | 74.3° | 77.5° |
| O18 | C14 | N15 | H25 | 0.2° | 0.4° |
| N15 | C14 | C13 | H14 | 106.4° | 102.5° |
| C14 | N15 | C16 | H15 | 135.7° | 136.1° |
| C14 | N15 | C16 | H16 | 103.7° | 102.1° |
| S1 | C19 | C11 | H11 | 174.4° | 62.4° |
| S1 | C19 | O20 | H26 | 63.1° | 180.0° |
| C19 | S1 | O1 | O2 | 90.0° | 131.5° |
| C19 | S1 | O1 | O3 | 90.0° | 111.8° |
| C19 | S1 | O2 | O3 | 90.0° | 111.8° |
| C19 | S1 | O3 | H21 | 90.0° | 180.0° |
| H1 | C04 | C05 | H2 | 59.1° | 175.0° |
| H1 | C04 | C05 | H3 | 177.7° | 65.0° |
| H1 | C04 | N03 | H23 | 143.1° | 145.0° |
| H2 | C05 | C06 | H4 | 158.4° | 65.0° |
| H3 | C05 | C06 | H4 | 82.9° | 175.0° |
| H4 | C06 | C07 | H5 | 62.2° | 180.0° |
| H4 | C06 | C07 | H6 | 57.9° | 60.0° |
| H4 | C06 | C07 | H7 | 177.9° | 60.0° |
| H4 | C06 | C08 | H8 | 62.1° | 60.0° |
| H4 | C06 | C08 | H9 | 177.8° | 60.1° |
| H4 | C06 | C08 | H10 | 57.8° | 180.0° |
| H5 | C07 | H6 | H7 | 119.9° | 119.9° |
| H8 | C08 | H9 | H10 | 119.9° | 120.0° |
| H11 | C11 | C12 | H12 | 177.8° | 177.9° |
| H11 | C11 | C12 | H13 | 63.5° | 62.2° |
| H11 | C11 | C19 | H19 | 66.6° | 177.6° |
| H11 | C11 | N10 | H24 | 174.8° | 2.1° |
| H12 | C12 | C13 | H14 | 61.0° | 63.1° |
| H13 | C12 | C13 | H14 | 179.7° | 177.0° |
| H14 | C13 | C17 | H17 | 144.7° | 147.9° |
| H14 | C13 | C17 | H18 | 23.8° | 24.1° |
| H15 | C16 | C17 | H17 | 23.8° | 26.3° |
| H15 | C16 | C17 | H18 | 97.1° | 97.5° |
| H15 | C16 | N15 | H25 | 44.3° | 43.9° |
| H16 | C16 | C17 | H17 | 144.3° | 148.3° |
| H16 | C16 | C17 | H18 | 23.4° | 24.5° |
| H16 | C16 | N15 | H25 | 76.3° | 77.9° |
| H19 | C19 | O20 | H26 | 56.6° | 60.0° |
| H19 | C19 | S1 | O1 | 173.5° | 168.9° |
| H19 | C19 | S1 | O2 | 173.5° | 54.4° |
| H19 | C19 | S1 | O3 | 173.5° | 57.3° |
| O1 | S1 | O2 | O3 | 90.0° | 116.8° |
| O1 | S1 | O3 | H21 | 90.0° | 63.9° |
| O2 | S1 | O3 | H21 | 90.0° | 63.9° |
| C23 | C1 | C2 | H22 | 90.0° | 119.9° |
| C23 | C1 | C2 | H27 | 90.0° | 119.9° |
| C23 | C1 | C2 | N1 | 90.0° | 54.6° |
| C1 | C23 | C5 | C4 | 90.0° | 61.3° |
| C1 | C23 | C5 | C10 | 90.0° | 120.0° |
| C23 | C1 | H22 | H27 | 90.0° | 120.0° |
| C23 | C1 | C2 | H28 | 90.0° | 174.5° |
| C23 | C1 | C2 | H29 | 90.0° | 65.2° |
| C1 | C23 | C5 | H32 | 90.0° | 178.7° |
| C1 | C23 | C5 | H33 | 90.0° | 58.6° |
| C1 | C23 | C10 | C15 | 90.0° | 177.9° |
| C1 | C23 | C10 | H20 | 90.0° | 57.9° |
| C1 | C23 | C10 | H43 | 90.0° | 62.1° |
| C1 | C2 | N1 | H28 | 90.0° | 119.8° |
| C1 | C2 | N1 | H29 | 90.0° | 119.8° |
| C1 | C2 | N1 | C4 | 90.0° | 53.6° |
| C2 | C1 | C23 | C5 | 90.0° | 61.3° |
| C1 | C2 | N1 | C3 | 90.0° | 126.3° |
| C2 | C1 | C23 | C10 | 90.0° | 178.6° |
| C2 | C1 | H22 | H27 | 90.0° | 120.1° |
| C1 | C2 | H28 | H29 | 90.0° | 120.3° |
| C2 | N1 | C4 | C3 | 90.0° | 179.9° |
| C2 | N1 | C4 | C5 | 90.0° | 53.6° |
| C2 | N1 | C3 | O4 | 90.0° | 0.0° |
| C2 | N1 | C3 | O5 | 90.0° | 180.0° |
| N1 | C2 | C1 | H22 | 90.0° | 65.3° |
| N1 | C2 | C1 | H27 | 90.0° | 174.5° |
| N1 | C2 | H28 | H29 | 90.0° | 120.4° |
| C2 | N1 | C4 | H30 | 90.0° | 173.4° |
| C2 | N1 | C4 | H31 | 90.0° | 66.2° |
| N1 | C4 | C5 | H30 | 90.0° | 119.8° |
| N1 | C4 | C5 | H31 | 90.0° | 119.8° |
| N1 | C4 | C5 | C23 | 90.0° | 54.6° |
| C4 | N1 | C3 | O4 | 90.0° | 180.0° |
| C4 | N1 | C3 | O5 | 90.0° | 0.1° |
| C4 | N1 | C2 | H28 | 90.0° | 173.4° |
| C4 | N1 | C2 | H29 | 90.0° | 66.2° |
| N1 | C4 | H30 | H31 | 90.0° | 120.4° |
| N1 | C4 | C5 | H32 | 90.0° | 174.6° |
| N1 | C4 | C5 | H33 | 90.0° | 65.3° |
| C4 | C5 | C23 | H32 | 90.0° | 119.9° |
| C4 | C5 | C23 | H33 | 90.0° | 119.9° |
| C5 | C4 | N1 | C3 | 90.0° | 126.3° |
| C4 | C5 | C23 | C10 | 90.0° | 178.6° |
| C5 | C4 | H30 | H31 | 90.0° | 120.3° |
| C4 | C5 | H32 | H33 | 90.0° | 120.1° |
| C5 | C23 | C1 | H22 | 90.0° | 58.6° |
| C5 | C23 | C1 | H27 | 90.0° | 178.7° |
| C23 | C5 | C4 | H30 | 90.0° | 174.5° |
| C23 | C5 | C4 | H31 | 90.0° | 65.1° |
| C23 | C5 | H32 | H33 | 90.0° | 120.1° |
| C5 | C23 | C10 | C15 | 90.0° | 62.0° |
| C5 | C23 | C10 | H20 | 90.0° | 177.9° |
| C5 | C23 | C10 | H43 | 90.0° | 57.9° |
| N1 | C3 | O4 | O5 | 90.0° | 179.9° |
| C3 | N1 | C2 | H28 | 90.0° | 6.6° |
| C3 | N1 | C2 | H29 | 90.0° | 113.9° |
| C3 | N1 | C4 | H30 | 90.0° | 6.6° |
| C3 | N1 | C4 | H31 | 90.0° | 113.9° |
| N1 | C3 | O5 | C6 | 90.0° | 180.0° |
| O4 | C3 | O5 | C6 | 90.0° | 0.0° |
| C3 | O5 | C6 | C7 | 90.0° | 60.0° |
| C3 | O5 | C6 | C8 | 90.0° | 180.0° |
| C3 | O5 | C6 | C9 | 90.0° | 60.0° |
| C10 | C23 | C1 | H22 | 90.0° | 61.4° |
| C10 | C23 | C1 | H27 | 90.0° | 58.7° |
| C10 | C23 | C5 | H32 | 90.0° | 58.7° |
| C10 | C23 | C5 | H33 | 90.0° | 61.4° |
| C23 | C10 | C15 | H20 | 90.0° | 120.0° |
| C23 | C10 | C15 | H43 | 90.0° | 119.9° |
| C23 | C10 | H20 | H43 | 90.0° | 120.0° |
| C23 | C10 | C15 | H44 | 90.0° | 175.3° |
| C23 | C10 | C15 | H45 | 90.0° | 55.4° |
| C23 | C10 | C15 | H46 | 90.0° | 64.7° |
| H22 | C1 | C2 | H28 | 90.0° | 54.5° |
| H22 | C1 | C2 | H29 | 90.0° | 174.9° |
| H27 | C1 | C2 | H28 | 90.0° | 65.6° |
| H27 | C1 | C2 | H29 | 90.0° | 54.7° |
| H30 | C4 | C5 | H32 | 90.0° | 65.6° |
| H30 | C4 | C5 | H33 | 90.0° | 54.5° |
| H31 | C4 | C5 | H32 | 90.0° | 54.8° |
| H31 | C4 | C5 | H33 | 90.0° | 174.9° |
| O5 | C6 | C7 | C8 | 90.0° | 120.0° |
| O5 | C6 | C7 | C9 | 90.0° | 120.0° |
| O5 | C6 | C8 | C9 | 90.0° | 120.0° |
| O5 | C6 | C7 | H34 | 90.0° | 60.0° |
| O5 | C6 | C7 | H35 | 90.0° | 180.0° |
| O5 | C6 | C7 | H36 | 90.0° | 60.0° |
| O5 | C6 | C8 | H37 | 90.0° | 60.0° |
| O5 | C6 | C8 | H38 | 90.0° | 180.0° |
| O5 | C6 | C8 | H39 | 90.0° | 60.0° |
| O5 | C6 | C9 | H40 | 90.0° | 60.0° |
| O5 | C6 | C9 | H41 | 90.0° | 180.0° |
| O5 | C6 | C9 | H42 | 90.0° | 60.0° |
| C7 | C6 | C8 | C9 | 90.0° | 120.0° |
| C6 | C7 | H34 | H35 | 90.0° | 120.0° |
| C6 | C7 | H34 | H36 | 90.0° | 120.0° |
| C6 | C7 | H35 | H36 | 90.0° | 120.0° |
| C7 | C6 | C8 | H37 | 90.0° | 180.0° |
| C7 | C6 | C8 | H38 | 90.0° | 60.0° |
| C7 | C6 | C8 | H39 | 90.0° | 60.0° |
| C7 | C6 | C9 | H40 | 90.0° | 60.1° |
| C7 | C6 | C9 | H41 | 90.0° | 60.0° |
| C7 | C6 | C9 | H42 | 90.0° | 180.0° |
| C8 | C6 | C7 | H34 | 90.0° | 60.0° |
| C8 | C6 | C7 | H35 | 90.0° | 60.0° |
| C8 | C6 | C7 | H36 | 90.0° | 180.0° |
| C6 | C8 | H37 | H38 | 90.0° | 120.0° |
| C6 | C8 | H37 | H39 | 90.0° | 120.0° |
| C6 | C8 | H38 | H39 | 90.0° | 120.0° |
| C8 | C6 | C9 | H40 | 90.0° | 180.0° |
| C8 | C6 | C9 | H41 | 90.0° | 60.0° |
| C8 | C6 | C9 | H42 | 90.0° | 60.0° |
| C9 | C6 | C7 | H34 | 90.0° | 180.0° |
| C9 | C6 | C7 | H35 | 90.0° | 60.0° |
| C9 | C6 | C7 | H36 | 90.0° | 60.0° |
| C9 | C6 | C8 | H37 | 90.0° | 60.0° |
| C9 | C6 | C8 | H38 | 90.0° | 60.0° |
| C9 | C6 | C8 | H39 | 90.0° | 180.0° |
| C6 | C9 | H40 | H41 | 90.0° | 120.0° |
| C6 | C9 | H40 | H42 | 90.0° | 119.9° |
| C6 | C9 | H41 | H42 | 90.0° | 120.0° |
| H34 | C7 | H35 | H36 | 90.0° | 120.1° |
| H37 | C8 | H38 | H39 | 90.0° | 120.0° |
| H40 | C9 | H41 | H42 | 90.0° | 120.0° |
| C15 | C10 | H20 | H43 | 90.0° | 120.0° |
| C10 | C15 | H44 | H45 | 90.0° | 120.0° |
| C10 | C15 | H44 | H46 | 90.0° | 120.0° |
| C10 | C15 | H45 | H46 | 90.0° | 120.0° |
| H20 | C10 | C15 | H44 | 90.0° | 64.6° |
| H20 | C10 | C15 | H45 | 90.0° | 175.4° |
| H20 | C10 | C15 | H46 | 90.0° | 55.4° |
| H43 | C10 | C15 | H44 | 90.0° | 55.4° |
| H43 | C10 | C15 | H45 | 90.0° | 64.6° |
| H43 | C10 | C15 | H46 | 90.0° | 175.4° |
| H44 | C15 | H45 | H46 | 90.0° | 120.0° |
