N02
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 | 1.53Å | |
| C02 | O01 | doub | 1.22Å | 1.20Å | |
| C09 | O21 | doub | 1.21Å | 1.18Å | |
| C09 | N10 | sing | 1.35Å | 1.46Å | |
| N10 | C11 | sing | 1.46Å | 1.45Å | |
| C11 | C19 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C19 | O20 | sing | 1.43Å | 1.40Å | |
| 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 | |
| C14 | O18 | doub | 1.21Å | 1.19Å | |
| C14 | N15 | sing | 1.34Å | 1.36Å | |
| C16 | N15 | sing | 1.47Å | 1.59Å | |
| 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 | H24 | sing | 0.97Å | 1.00Å | |
| N10 | H25 | sing | 0.97Å | 1.00Å | |
| N15 | H26 | sing | 0.97Å | 1.00Å | |
| O20 | H27 | sing | 0.97Å | 0.95Å | |
| C19 | S1 | sing | 1.81Å | 21.40Å | |
| S1 | O2 | doub | 1.42Å | 0.00Å | |
| S1 | O3 | doub | 1.42Å | 0.00Å | |
| S1 | O1 | sing | 1.52Å | 0.00Å | |
| O1 | H29 | sing | 0.97Å | 0.00Å | |
| C23 | C1 | sing | 1.53Å | 23.74Å | |
| 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 | 23.74Å | |
| C23 | C6 | sing | 1.53Å | 23.74Å | |
| C1 | H22 | sing | 1.09Å | 0.00Å | |
| C1 | H23 | sing | 1.09Å | 0.00Å | |
| C2 | H30 | sing | 1.09Å | 0.00Å | |
| C2 | H31 | sing | 1.09Å | 0.00Å | |
| N1 | C3 | sing | 1.35Å | 0.00Å | |
| C4 | H34 | sing | 1.09Å | 0.00Å | |
| C4 | H35 | sing | 1.09Å | 0.00Å | |
| C5 | H36 | sing | 1.09Å | 0.00Å | |
| C5 | H37 | sing | 1.09Å | 0.00Å | |
| C6 | C7 | sing | 1.53Å | 0.00Å | |
| C3 | O4 | doub | 1.22Å | 0.00Å | |
| C3 | O5 | sing | 1.35Å | 0.00Å | |
| O5 | C8 | sing | 1.45Å | 0.00Å | |
| C8 | C9 | sing | 1.53Å | 0.00Å | |
| C8 | C10 | sing | 1.53Å | 0.00Å | |
| C8 | C15 | sing | 1.53Å | 0.00Å | |
| C6 | H21 | sing | 1.09Å | 0.00Å | |
| C6 | H32 | sing | 1.09Å | 0.00Å | |
| C7 | H33 | sing | 1.09Å | 0.00Å | |
| C7 | H38 | sing | 1.09Å | 0.00Å | |
| C7 | 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 | H43 | sing | 1.09Å | 0.00Å | |
| C10 | H44 | sing | 1.09Å | 0.00Å | |
| C10 | H45 | sing | 1.09Å | 0.00Å | |
| C15 | H46 | sing | 1.09Å | 0.00Å | |
| C15 | H47 | sing | 1.09Å | 0.00Å | |
| C15 | H48 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C08 | C06 | C07 | 110.3° | 109.5° |
| C08 | C06 | C05 | 111.6° | 109.4° |
| C08 | C06 | H4 | 107.8° | 109.5° |
| C06 | C08 | H8 | 109.5° | 109.5° |
| C06 | C08 | H9 | 109.5° | 109.5° |
| C06 | C08 | H10 | 109.5° | 109.5° |
| C07 | C06 | C05 | 111.4° | 109.5° |
| C07 | C06 | H4 | 107.8° | 109.5° |
| C06 | C07 | H5 | 109.5° | 109.5° |
| C06 | C07 | H6 | 109.4° | 109.4° |
| C06 | C07 | H7 | 109.5° | 109.4° |
| C06 | C05 | C04 | 114.0° | 109.5° |
| C06 | C05 | H2 | 108.3° | 109.4° |
| C06 | C05 | H3 | 108.4° | 109.5° |
| C05 | C06 | H4 | 107.7° | 109.5° |
| C05 | C04 | N03 | 109.6° | 109.5° |
| C05 | C04 | C09 | 110.7° | 109.4° |
| C05 | C04 | H1 | 109.3° | 109.4° |
| C04 | C05 | H2 | 108.3° | 109.5° |
| C04 | C05 | H3 | 108.3° | 109.5° |
| C04 | N03 | C02 | 118.1° | 120.0° |
| N03 | C04 | C09 | 107.3° | 109.5° |
| N03 | C04 | H1 | 110.6° | 109.5° |
| C04 | N03 | H24 | 121.0° | 120.0° |
| N03 | C02 | O22 | 118.6° | 120.0° |
| N03 | C02 | O01 | 119.8° | 120.0° |
| C02 | N03 | H24 | 120.9° | 120.0° |
| C02 | O22 | C23 | 114.6° | 117.0° |
| O22 | C02 | O01 | 121.7° | 120.0° |
| O22 | C23 | C1 | 72.0° | 109.5° |
| O22 | C23 | C5 | 72.0° | 109.5° |
| O22 | C23 | C6 | 72.0° | 109.5° |
| C04 | C09 | O21 | 119.8° | 119.9° |
| C04 | C09 | N10 | 120.8° | 120.1° |
| C09 | C04 | H1 | 109.3° | 109.5° |
| O21 | C09 | N10 | 119.4° | 120.0° |
| C09 | N10 | C11 | 120.6° | 120.0° |
| C09 | N10 | H25 | 119.7° | 120.0° |
| N10 | C11 | C19 | 107.5° | 109.5° |
| N10 | C11 | C12 | 110.2° | 109.4° |
| N10 | C11 | H11 | 109.5° | 109.4° |
| C11 | N10 | H25 | 119.7° | 120.0° |
| C19 | C11 | C12 | 112.8° | 109.5° |
| C11 | C19 | O20 | 125.5° | 109.4° |
| C19 | C11 | H11 | 108.5° | 109.5° |
| C11 | C19 | H19 | 106.3° | 109.5° |
| C11 | C19 | S1 | 101.2° | 109.5° |
| C11 | C12 | C13 | 113.3° | 109.5° |
| C12 | C11 | H11 | 108.3° | 109.4° |
| C11 | C12 | H12 | 108.5° | 109.5° |
| C11 | C12 | H13 | 108.5° | 109.5° |
| O20 | C19 | H19 | 107.8° | 109.4° |
| C19 | O20 | H27 | 109.5° | 114.1° |
| O20 | C19 | S1 | 119.1° | 109.5° |
| C12 | C13 | C17 | 110.3° | 110.5° |
| C12 | C13 | C14 | 108.7° | 110.5° |
| C13 | C12 | H12 | 108.5° | 109.5° |
| C13 | C12 | H13 | 108.5° | 109.4° |
| C12 | C13 | H14 | 111.1° | 110.4° |
| C17 | C13 | C14 | 105.3° | 104.2° |
| C13 | C17 | C16 | 106.7° | 101.8° |
| C17 | C13 | H14 | 111.0° | 110.5° |
| C13 | C17 | H17 | 110.2° | 110.9° |
| C13 | C17 | H18 | 110.1° | 110.9° |
| C13 | C14 | O18 | 125.5° | 124.9° |
| C13 | C14 | N15 | 106.7° | 110.1° |
| C14 | C13 | H14 | 110.3° | 110.6° |
| C17 | C16 | N15 | 108.3° | 105.5° |
| C17 | C16 | H15 | 109.8° | 110.3° |
| C17 | C16 | H16 | 109.8° | 110.3° |
| C16 | C17 | H17 | 110.1° | 111.0° |
| C16 | C17 | H18 | 110.2° | 111.0° |
| O18 | C14 | N15 | 127.8° | 125.0° |
| C14 | N15 | C16 | 108.7° | 111.3° |
| C14 | N15 | H26 | 125.6° | 124.4° |
| N15 | C16 | H15 | 109.8° | 110.2° |
| N15 | C16 | H16 | 109.8° | 110.2° |
| C16 | N15 | H26 | 125.6° | 124.3° |
| H2 | C05 | H3 | 109.5° | 109.5° |
| H5 | C07 | H6 | 109.5° | 109.5° |
| H5 | C07 | H7 | 109.5° | 109.5° |
| H6 | C07 | H7 | 109.4° | 109.5° |
| H8 | C08 | H9 | 109.5° | 109.5° |
| 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° | 110.3° |
| H17 | C17 | H18 | 109.5° | 110.9° |
| H19 | C19 | S1 | 91.1° | 109.5° |
| C19 | S1 | O2 | 90.0° | 110.6° |
| C19 | S1 | O3 | 90.0° | 110.5° |
| C19 | S1 | O1 | 90.0° | 104.4° |
| O2 | S1 | O3 | 90.0° | 121.1° |
| O2 | S1 | O1 | 90.0° | 104.3° |
| O3 | S1 | O1 | 90.0° | 104.3° |
| S1 | O1 | H29 | 90.0° | 113.9° |
| C23 | C1 | C2 | 90.0° | 109.3° |
| C1 | C23 | C5 | NaN° | 109.5° |
| C1 | C23 | C6 | NaN° | 109.4° |
| C23 | C1 | H22 | 90.0° | 109.5° |
| C23 | C1 | H23 | 90.0° | 109.5° |
| C1 | C2 | N1 | 90.0° | 108.8° |
| C2 | C1 | H22 | 90.0° | 109.5° |
| C2 | C1 | H23 | 90.0° | 109.5° |
| C1 | C2 | H30 | 90.0° | 109.6° |
| C1 | C2 | H31 | 90.0° | 109.6° |
| C2 | N1 | C4 | 90.0° | 118.7° |
| N1 | C2 | H30 | 90.0° | 109.6° |
| N1 | C2 | H31 | 90.0° | 109.6° |
| C2 | N1 | C3 | 90.0° | 120.6° |
| N1 | C4 | C5 | 90.0° | 108.8° |
| C4 | N1 | C3 | 90.0° | 120.7° |
| N1 | C4 | H34 | 90.0° | 109.6° |
| N1 | C4 | H35 | 90.0° | 109.6° |
| C4 | C5 | C23 | 90.0° | 109.3° |
| C5 | C4 | H34 | 90.0° | 109.5° |
| C5 | C4 | H35 | 90.0° | 109.6° |
| C4 | C5 | H36 | 90.0° | 109.5° |
| C4 | C5 | H37 | 90.0° | 109.5° |
| C5 | C23 | C6 | NaN° | 109.4° |
| C23 | C5 | H36 | 90.0° | 109.5° |
| C23 | C5 | H37 | 90.0° | 109.5° |
| C23 | C6 | C7 | 90.0° | 109.5° |
| C23 | C6 | H21 | 90.0° | 109.5° |
| C23 | C6 | H32 | 90.0° | 109.5° |
| H22 | C1 | H23 | 90.0° | 109.5° |
| H30 | C2 | H31 | 90.0° | 109.7° |
| N1 | C3 | O4 | 90.0° | 120.0° |
| N1 | C3 | O5 | 90.0° | 120.0° |
| H34 | C4 | H35 | 90.0° | 109.7° |
| H36 | C5 | H37 | 90.0° | 109.6° |
| C7 | C6 | H21 | 90.0° | 109.4° |
| C7 | C6 | H32 | 90.0° | 109.5° |
| C6 | C7 | H33 | 90.0° | 109.5° |
| C6 | C7 | H38 | 90.0° | 109.4° |
| C6 | C7 | H39 | 90.0° | 109.5° |
| O4 | C3 | O5 | 90.0° | 120.0° |
| C3 | O5 | C8 | 90.0° | 117.0° |
| O5 | C8 | C9 | 90.0° | 109.5° |
| O5 | C8 | C10 | 90.0° | 109.5° |
| O5 | C8 | C15 | 90.0° | 109.5° |
| C9 | C8 | C10 | 90.0° | 109.5° |
| C9 | C8 | C15 | 90.0° | 109.5° |
| C8 | C9 | H40 | 90.0° | 109.5° |
| C8 | C9 | H41 | 90.0° | 109.5° |
| C8 | C9 | H42 | 90.0° | 109.5° |
| C10 | C8 | C15 | 90.0° | 109.4° |
| C8 | C10 | H43 | 90.0° | 109.4° |
| C8 | C10 | H44 | 90.0° | 109.5° |
| C8 | C10 | H45 | 90.0° | 109.5° |
| C8 | C15 | H46 | 90.0° | 109.4° |
| C8 | C15 | H47 | 90.0° | 109.5° |
| C8 | C15 | H48 | 90.0° | 109.5° |
| H21 | C6 | H32 | 90.0° | 109.5° |
| H33 | C7 | H38 | 90.0° | 109.5° |
| H33 | C7 | H39 | 90.0° | 109.5° |
| H38 | C7 | H39 | 90.0° | 109.5° |
| H40 | C9 | H41 | 90.0° | 109.4° |
| H40 | C9 | H42 | 90.0° | 109.4° |
| H41 | C9 | H42 | 90.0° | 109.5° |
| H43 | C10 | H44 | 90.0° | 109.5° |
| H43 | C10 | H45 | 90.0° | 109.5° |
| H44 | C10 | H45 | 90.0° | 109.4° |
| H46 | C15 | H47 | 90.0° | 109.5° |
| H46 | C15 | H48 | 90.0° | 109.5° |
| H47 | C15 | H48 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C08 | C06 | C07 | C05 | 124.6° | 120.0° |
| C08 | C06 | C07 | H4 | 117.5° | 120.0° |
| C08 | C06 | C05 | H4 | 118.1° | 120.0° |
| C08 | C06 | C05 | C04 | 161.5° | 65.0° |
| C08 | C06 | C05 | H2 | 77.9° | 175.0° |
| C08 | C06 | C05 | H3 | 40.8° | 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° | 120.0° |
| C06 | C08 | H8 | H10 | 120.0° | 120.0° |
| C06 | C08 | H9 | H10 | 120.0° | 120.0° |
| C07 | C06 | C05 | H4 | 118.1° | 120.0° |
| C07 | C06 | C05 | C04 | 74.7° | 175.0° |
| C07 | C06 | C05 | H2 | 45.9° | 55.0° |
| C07 | C06 | C05 | H3 | 164.6° | 65.0° |
| C06 | C07 | H5 | H6 | 120.0° | 120.0° |
| C06 | C07 | H5 | H7 | 120.0° | 119.9° |
| C06 | C07 | H6 | H7 | 120.0° | 119.9° |
| C07 | C06 | C08 | H8 | 180.0° | 60.0° |
| C07 | C06 | C08 | H9 | 60.0° | 180.0° |
| C07 | C06 | C08 | H10 | 60.0° | 60.0° |
| C06 | C05 | C04 | H2 | 120.7° | 119.9° |
| C06 | C05 | C04 | H3 | 120.7° | 120.0° |
| C06 | C05 | C04 | N03 | 62.5° | 64.9° |
| C06 | C05 | C04 | C09 | 179.4° | 175.0° |
| C06 | C05 | C04 | H1 | 58.9° | 55.1° |
| C06 | C05 | H2 | H3 | 118.0° | 120.0° |
| C05 | C06 | C07 | H5 | 55.4° | 59.9° |
| C05 | C06 | C07 | H6 | 175.5° | 180.0° |
| C05 | C06 | C07 | H7 | 64.6° | 60.1° |
| C05 | C06 | C08 | H8 | 55.5° | 60.0° |
| C05 | C06 | C08 | H9 | 64.5° | 60.0° |
| C05 | C06 | C08 | H10 | 175.5° | 180.0° |
| C05 | C04 | N03 | C09 | 120.3° | 120.0° |
| C05 | C04 | N03 | H1 | 120.6° | 120.0° |
| C05 | C04 | N03 | C02 | 157.9° | 85.0° |
| C05 | C04 | C09 | H1 | 120.5° | 119.9° |
| C05 | C04 | C09 | O21 | 102.2° | 120.1° |
| C05 | C04 | C09 | N10 | 78.1° | 60.0° |
| C04 | C05 | H2 | H3 | 117.9° | 120.0° |
| C04 | C05 | C06 | H4 | 43.3° | 55.0° |
| C05 | C04 | N03 | H24 | 22.1° | 95.0° |
| C04 | N03 | C02 | H24 | 180.0° | 179.9° |
| C04 | N03 | C02 | O22 | 172.2° | 179.7° |
| N03 | C04 | C09 | H1 | 119.9° | 120.1° |
| C04 | N03 | C02 | O01 | 7.7° | 0.1° |
| N03 | C04 | C09 | O21 | 17.4° | 0.0° |
| N03 | C04 | C09 | N10 | 162.3° | 180.0° |
| N03 | C04 | C05 | H2 | 176.9° | 55.0° |
| N03 | C04 | C05 | H3 | 58.2° | 175.0° |
| N03 | C02 | O22 | O01 | 179.9° | 179.8° |
| N03 | C02 | O22 | C23 | 163.6° | 174.8° |
| C02 | N03 | C04 | C09 | 81.7° | 155.0° |
| C02 | N03 | C04 | H1 | 37.3° | 34.9° |
| O22 | C02 | N03 | H24 | 7.8° | 0.2° |
| C02 | O22 | C23 | C1 | 47.4° | 61.7° |
| C02 | O22 | C23 | C5 | 47.4° | 178.2° |
| C02 | O22 | C23 | C6 | 47.4° | 58.2° |
| C23 | O22 | C02 | O01 | 16.5° | 5.4° |
| O22 | C23 | C1 | C5 | 90.0° | 120.1° |
| O22 | C23 | C1 | C6 | 90.0° | 120.0° |
| O22 | C23 | C1 | C2 | 90.0° | 58.7° |
| O22 | C23 | C5 | C4 | 90.0° | 58.7° |
| O22 | C23 | C5 | C6 | 90.0° | 120.0° |
| O22 | C23 | C1 | H22 | 90.0° | 178.6° |
| O22 | C23 | C1 | H23 | 90.0° | 61.2° |
| O22 | C23 | C5 | H36 | 90.0° | 61.2° |
| O22 | C23 | C5 | H37 | 90.0° | 178.6° |
| O22 | C23 | C6 | C7 | 90.0° | 57.9° |
| O22 | C23 | C6 | H21 | 90.0° | 62.0° |
| O22 | C23 | C6 | H32 | 90.0° | 178.0° |
| C04 | C09 | O21 | N10 | 179.7° | 180.0° |
| C04 | C09 | N10 | C11 | 179.9° | 180.0° |
| C09 | C04 | C05 | H2 | 58.7° | 65.1° |
| C09 | C04 | C05 | H3 | 60.0° | 55.0° |
| C09 | C04 | N03 | H24 | 98.2° | 25.0° |
| C04 | C09 | N10 | H25 | 0.1° | 0.0° |
| O01 | C02 | N03 | H24 | 172.3° | 180.0° |
| O21 | C09 | N10 | C11 | 0.4° | 0.0° |
| O21 | C09 | C04 | H1 | 137.3° | 120.0° |
| O21 | C09 | N10 | H25 | 179.6° | 180.0° |
| C09 | N10 | C11 | H25 | 180.0° | 180.0° |
| C09 | N10 | C11 | C19 | 131.9° | 84.3° |
| C09 | N10 | C11 | C12 | 104.8° | 155.7° |
| N10 | C09 | C04 | H1 | 42.4° | 59.9° |
| C09 | N10 | C11 | H11 | 14.2° | 35.8° |
| N10 | C11 | C19 | C12 | 121.7° | 120.0° |
| N10 | C11 | C19 | H11 | 118.3° | 120.0° |
| N10 | C11 | C12 | H11 | 119.7° | 119.9° |
| N10 | C11 | C19 | O20 | 171.1° | 175.0° |
| N10 | C11 | C12 | C13 | 67.0° | 66.2° |
| N10 | C11 | C12 | H12 | 53.5° | 53.9° |
| N10 | C11 | C12 | H13 | 172.4° | 173.9° |
| N10 | C11 | C19 | H19 | 44.2° | 65.0° |
| N10 | C11 | C19 | S1 | 50.3° | 55.0° |
| C19 | C11 | C12 | H11 | 120.1° | 120.1° |
| C11 | C19 | O20 | H19 | 126.2° | 120.0° |
| C11 | C19 | O20 | S1 | 132.1° | 120.0° |
| C19 | C11 | C12 | C13 | 172.8° | 173.8° |
| C19 | C11 | C12 | H12 | 66.7° | 66.1° |
| C19 | C11 | C12 | H13 | 52.2° | 53.9° |
| C11 | C19 | H19 | S1 | 102.0° | 120.1° |
| C19 | C11 | N10 | H25 | 48.1° | 95.7° |
| C11 | C19 | O20 | H27 | 180.0° | 60.0° |
| C11 | C19 | S1 | O2 | 90.0° | 63.3° |
| C11 | C19 | S1 | O3 | 90.0° | 73.4° |
| C11 | C19 | S1 | O1 | 90.0° | 175.0° |
| C12 | C11 | C19 | O20 | 67.2° | 55.0° |
| C11 | C12 | C13 | H12 | 120.6° | 120.0° |
| C11 | C12 | C13 | H13 | 120.6° | 120.0° |
| C11 | C12 | C13 | C17 | 66.7° | 64.9° |
| C11 | C12 | C13 | C14 | 178.3° | 179.7° |
| C11 | C12 | H12 | H13 | 118.3° | 120.0° |
| C11 | C12 | C13 | H14 | 56.8° | 57.6° |
| C12 | C11 | C19 | H19 | 165.9° | 175.0° |
| C12 | C11 | N10 | H25 | 75.2° | 24.3° |
| C12 | C11 | C19 | S1 | 71.4° | 65.0° |
| O20 | C19 | C11 | H11 | 52.8° | 65.0° |
| O20 | C19 | H19 | S1 | 121.1° | 120.0° |
| O20 | C19 | S1 | O2 | 90.0° | 56.6° |
| O20 | C19 | S1 | O3 | 90.0° | 166.6° |
| O20 | C19 | S1 | O1 | 90.0° | 55.0° |
| C12 | C13 | C17 | C14 | 117.1° | 118.7° |
| C12 | C13 | C17 | H14 | 123.6° | 122.5° |
| C12 | C13 | C14 | H14 | 122.0° | 122.5° |
| C12 | C13 | C17 | C16 | 136.9° | 143.5° |
| C12 | C13 | C14 | O18 | 50.4° | 45.1° |
| C12 | C13 | C14 | N15 | 129.1° | 134.9° |
| C13 | C12 | C11 | H11 | 52.7° | 53.8° |
| C13 | C12 | H12 | H13 | 118.3° | 120.0° |
| C12 | C13 | C17 | H17 | 17.4° | 25.4° |
| C12 | C13 | C17 | H18 | 103.5° | 98.4° |
| C17 | C13 | C14 | H14 | 119.8° | 118.8° |
| C13 | C17 | C16 | H17 | 119.6° | 118.1° |
| C13 | C17 | C16 | H18 | 119.6° | 118.1° |
| C17 | C13 | C14 | O18 | 168.6° | 163.8° |
| C17 | C13 | C14 | N15 | 10.9° | 16.2° |
| C13 | C17 | C16 | N15 | 20.5° | 25.4° |
| C17 | C13 | C12 | H12 | 172.7° | 175.0° |
| C17 | C13 | C12 | H13 | 53.8° | 55.0° |
| C13 | C17 | C16 | H15 | 140.3° | 144.4° |
| C13 | C17 | C16 | H16 | 99.3° | 93.6° |
| C13 | C17 | H17 | H18 | 121.2° | 123.8° |
| C14 | C13 | C17 | C16 | 19.8° | 24.8° |
| C13 | C14 | O18 | N15 | 179.4° | 180.0° |
| C13 | C14 | N15 | C16 | 0.9° | 0.4° |
| C14 | C13 | C12 | H12 | 57.7° | 60.2° |
| C14 | C13 | C12 | H13 | 61.2° | 59.8° |
| C14 | C13 | C17 | H17 | 99.7° | 93.3° |
| C14 | C13 | C17 | H18 | 139.4° | 142.9° |
| C13 | C14 | N15 | H26 | 179.1° | 179.6° |
| C17 | C16 | N15 | C14 | 14.1° | 17.0° |
| C17 | C16 | N15 | H15 | 119.8° | 119.0° |
| C17 | C16 | N15 | H16 | 119.8° | 119.1° |
| C16 | C17 | C13 | H14 | 99.5° | 94.0° |
| C17 | C16 | H15 | H16 | 120.6° | 122.1° |
| C16 | C17 | H17 | H18 | 121.3° | 123.9° |
| C17 | C16 | N15 | H26 | 166.0° | 163.0° |
| O18 | C14 | N15 | C16 | 179.6° | 179.5° |
| O18 | C14 | C13 | H14 | 71.6° | 77.4° |
| O18 | C14 | N15 | H26 | 0.4° | 0.4° |
| C14 | N15 | C16 | H26 | 180.0° | 180.0° |
| N15 | C14 | C13 | H14 | 108.9° | 102.6° |
| C14 | N15 | C16 | H15 | 133.9° | 136.0° |
| C14 | N15 | C16 | H16 | 105.8° | 102.0° |
| N15 | C16 | H15 | H16 | 120.5° | 121.9° |
| N15 | C16 | C17 | H17 | 99.1° | 92.6° |
| N15 | C16 | C17 | H18 | 140.1° | 143.5° |
| H1 | C04 | C05 | H2 | 61.8° | 175.0° |
| H1 | C04 | C05 | H3 | 179.6° | 65.0° |
| H1 | C04 | N03 | H24 | 142.7° | 145.0° |
| H2 | C05 | C06 | H4 | 164.0° | 65.0° |
| H3 | C05 | C06 | H4 | 77.3° | 175.0° |
| H4 | C06 | C07 | H5 | 62.5° | 179.9° |
| H4 | C06 | C07 | H6 | 57.5° | 60.0° |
| H4 | C06 | C07 | H7 | 177.5° | 60.0° |
| H4 | C06 | C08 | H8 | 62.5° | 180.0° |
| H4 | C06 | C08 | H9 | 177.4° | 60.0° |
| H4 | C06 | C08 | H10 | 57.5° | 60.1° |
| H5 | C07 | H6 | H7 | 120.0° | 120.1° |
| H8 | C08 | H9 | H10 | 120.0° | 120.0° |
| H11 | C11 | C12 | H12 | 173.2° | 173.8° |
| H11 | C11 | C12 | H13 | 67.9° | 66.2° |
| H11 | C11 | C19 | H19 | 74.1° | 55.0° |
| H11 | C11 | N10 | H25 | 165.8° | 144.3° |
| H11 | C11 | C19 | S1 | 168.6° | 175.0° |
| H12 | C12 | C13 | H14 | 63.8° | 62.4° |
| H13 | C12 | C13 | H14 | 177.3° | 177.6° |
| H14 | C13 | C17 | H17 | 140.9° | 147.8° |
| H14 | C13 | C17 | H18 | 20.1° | 24.1° |
| H15 | C16 | C17 | H17 | 20.7° | 26.3° |
| H15 | C16 | C17 | H18 | 100.1° | 97.5° |
| H15 | C16 | N15 | H26 | 46.2° | 44.0° |
| H16 | C16 | C17 | H17 | 141.1° | 148.3° |
| H16 | C16 | C17 | H18 | 20.3° | 24.5° |
| H16 | C16 | N15 | H26 | 74.2° | 77.9° |
| H19 | C19 | O20 | H27 | 53.8° | 180.0° |
| H19 | C19 | S1 | O2 | 90.0° | 176.6° |
| H19 | C19 | S1 | O3 | 90.0° | 46.6° |
| H19 | C19 | S1 | O1 | 90.0° | 64.9° |
| H27 | O20 | C19 | S1 | 47.9° | 60.0° |
| C19 | S1 | O2 | O3 | 90.0° | 131.5° |
| C19 | S1 | O2 | O1 | 90.0° | 111.7° |
| C19 | S1 | O3 | O1 | 90.0° | 111.7° |
| C19 | S1 | O1 | H29 | 90.0° | 180.0° |
| O2 | S1 | O3 | O1 | 90.0° | 116.8° |
| O2 | S1 | O1 | H29 | 90.0° | 63.9° |
| O3 | S1 | O1 | H29 | 90.0° | 64.0° |
| C23 | C1 | C2 | H22 | 90.0° | 120.0° |
| C23 | C1 | C2 | H23 | 90.0° | 119.9° |
| C23 | C1 | C2 | N1 | 90.0° | 54.7° |
| C1 | C23 | C5 | C4 | 90.0° | 61.4° |
| C1 | C23 | C5 | C6 | 90.0° | 120.0° |
| C23 | C1 | H22 | H23 | 90.0° | 120.1° |
| C23 | C1 | C2 | H30 | 90.0° | 174.5° |
| C23 | C1 | C2 | H31 | 90.0° | 65.1° |
| C1 | C23 | C5 | H36 | 90.0° | 178.7° |
| C1 | C23 | C5 | H37 | 90.0° | 58.5° |
| C1 | C23 | C6 | C7 | 90.0° | 177.9° |
| C1 | C23 | C6 | H21 | 90.0° | 58.0° |
| C1 | C23 | C6 | H32 | 90.0° | 62.0° |
| C1 | C2 | N1 | H30 | 90.0° | 119.8° |
| C1 | C2 | N1 | H31 | 90.0° | 119.8° |
| C1 | C2 | N1 | C4 | 90.0° | 53.7° |
| C2 | C1 | C23 | C5 | 90.0° | 61.4° |
| C2 | C1 | C23 | C6 | 90.0° | 178.6° |
| C2 | C1 | H22 | H23 | 90.0° | 120.1° |
| C1 | C2 | H30 | H31 | 90.0° | 120.3° |
| C1 | C2 | N1 | C3 | 90.0° | 126.4° |
| C2 | N1 | C4 | C3 | 90.0° | 180.0° |
| C2 | N1 | C4 | C5 | 90.0° | 53.7° |
| N1 | C2 | C1 | H22 | 90.0° | 65.3° |
| N1 | C2 | C1 | H23 | 90.0° | 174.6° |
| N1 | C2 | H30 | H31 | 90.0° | 120.4° |
| C2 | N1 | C4 | H34 | 90.0° | 173.4° |
| C2 | N1 | C4 | H35 | 90.0° | 66.2° |
| C2 | N1 | C3 | O4 | 90.0° | 0.0° |
| C2 | N1 | C3 | O5 | 90.0° | 180.0° |
| N1 | C4 | C5 | H34 | 90.0° | 119.7° |
| N1 | C4 | C5 | H35 | 90.0° | 119.9° |
| N1 | C4 | C5 | C23 | 90.0° | 54.7° |
| C4 | N1 | C2 | H30 | 90.0° | 173.5° |
| C4 | N1 | C2 | H31 | 90.0° | 66.1° |
| N1 | C4 | H34 | H35 | 90.0° | 120.4° |
| N1 | C4 | C5 | H36 | 90.0° | 174.6° |
| N1 | C4 | C5 | H37 | 90.0° | 65.3° |
| C4 | N1 | C3 | O4 | 90.0° | 180.0° |
| C4 | N1 | C3 | O5 | 90.0° | 0.1° |
| C4 | C5 | C23 | H36 | 90.0° | 119.9° |
| C4 | C5 | C23 | H37 | 90.0° | 120.0° |
| C4 | C5 | C23 | C6 | 90.0° | 178.6° |
| C5 | C4 | N1 | C3 | 90.0° | 126.4° |
| C5 | C4 | H34 | H35 | 90.0° | 120.4° |
| C4 | C5 | H36 | H37 | 90.0° | 120.1° |
| C5 | C23 | C1 | H22 | 90.0° | 58.6° |
| C5 | C23 | C1 | H23 | 90.0° | 178.7° |
| C23 | C5 | C4 | H34 | 90.0° | 174.4° |
| C23 | C5 | C4 | H35 | 90.0° | 65.2° |
| C23 | C5 | H36 | H37 | 90.0° | 120.1° |
| C5 | C23 | C6 | C7 | 90.0° | 62.0° |
| C5 | C23 | C6 | H21 | 90.0° | 178.0° |
| C5 | C23 | C6 | H32 | 90.0° | 58.0° |
| C6 | C23 | C1 | H22 | 90.0° | 61.4° |
| C6 | C23 | C1 | H23 | 90.0° | 58.7° |
| C6 | C23 | C5 | H36 | 90.0° | 58.7° |
| C6 | C23 | C5 | H37 | 90.0° | 61.4° |
| C23 | C6 | C7 | H21 | 90.0° | 120.0° |
| C23 | C6 | C7 | H32 | 90.0° | 120.1° |
| C23 | C6 | H21 | H32 | 90.0° | 120.1° |
| C23 | C6 | C7 | H33 | 90.0° | 177.3° |
| C23 | C6 | C7 | H38 | 90.0° | 57.3° |
| C23 | C6 | C7 | H39 | 90.0° | 62.7° |
| H22 | C1 | C2 | H30 | 90.0° | 54.5° |
| H22 | C1 | C2 | H31 | 90.0° | 174.9° |
| H23 | C1 | C2 | H30 | 90.0° | 65.6° |
| H23 | C1 | C2 | H31 | 90.0° | 54.8° |
| H30 | C2 | N1 | C3 | 90.0° | 6.6° |
| H31 | C2 | N1 | C3 | 90.0° | 113.8° |
| C3 | N1 | C4 | H34 | 90.0° | 6.7° |
| C3 | N1 | C4 | H35 | 90.0° | 113.8° |
| N1 | C3 | O4 | O5 | 90.0° | 180.0° |
| N1 | C3 | O5 | C8 | 90.0° | 180.0° |
| H34 | C4 | C5 | H36 | 90.0° | 65.7° |
| H34 | C4 | C5 | H37 | 90.0° | 54.5° |
| H35 | C4 | C5 | H36 | 90.0° | 54.7° |
| H35 | C4 | C5 | H37 | 90.0° | 174.9° |
| C7 | C6 | H21 | H32 | 90.0° | 120.0° |
| C6 | C7 | H33 | H38 | 90.0° | 120.0° |
| C6 | C7 | H33 | H39 | 90.0° | 120.0° |
| C6 | C7 | H38 | H39 | 90.0° | 120.0° |
| O4 | C3 | O5 | C8 | 90.0° | 0.0° |
| C3 | O5 | C8 | C9 | 90.0° | 60.0° |
| C3 | O5 | C8 | C10 | 90.0° | 180.0° |
| C3 | O5 | C8 | C15 | 90.0° | 60.0° |
| O5 | C8 | C9 | C10 | 90.0° | 120.0° |
| O5 | C8 | C9 | C15 | 90.0° | 120.0° |
| O5 | C8 | C10 | C15 | 90.0° | 120.0° |
| O5 | C8 | C9 | H40 | 90.0° | 60.0° |
| O5 | C8 | C9 | H41 | 90.0° | 180.0° |
| O5 | C8 | C9 | H42 | 90.0° | 60.0° |
| O5 | C8 | C10 | H43 | 90.0° | 60.0° |
| O5 | C8 | C10 | H44 | 90.0° | 180.0° |
| O5 | C8 | C10 | H45 | 90.0° | 60.0° |
| O5 | C8 | C15 | H46 | 90.0° | 60.0° |
| O5 | C8 | C15 | H47 | 90.0° | 180.0° |
| O5 | C8 | C15 | H48 | 90.0° | 60.0° |
| C9 | C8 | C10 | C15 | 90.0° | 120.0° |
| C8 | C9 | H40 | H41 | 90.0° | 120.0° |
| C8 | C9 | H40 | H42 | 90.0° | 120.0° |
| C8 | C9 | H41 | H42 | 90.0° | 120.1° |
| C9 | C8 | C10 | H43 | 90.0° | 180.0° |
| C9 | C8 | C10 | H44 | 90.0° | 60.0° |
| C9 | C8 | C10 | H45 | 90.0° | 60.0° |
| C9 | C8 | C15 | H46 | 90.0° | 60.0° |
| C9 | C8 | C15 | H47 | 90.0° | 60.0° |
| C9 | C8 | C15 | H48 | 90.0° | 180.0° |
| C10 | C8 | C9 | H40 | 90.0° | 60.0° |
| C10 | C8 | C9 | H41 | 90.0° | 60.0° |
| C10 | C8 | C9 | H42 | 90.0° | 180.0° |
| C8 | C10 | H43 | H44 | 90.0° | 120.0° |
| C8 | C10 | H43 | H45 | 90.0° | 120.0° |
| C8 | C10 | H44 | H45 | 90.0° | 120.0° |
| C10 | C8 | C15 | H46 | 90.0° | 180.0° |
| C10 | C8 | C15 | H47 | 90.0° | 60.0° |
| C10 | C8 | C15 | H48 | 90.0° | 60.1° |
| C15 | C8 | C9 | H40 | 90.0° | 180.0° |
| C15 | C8 | C9 | H41 | 90.0° | 60.0° |
| C15 | C8 | C9 | H42 | 90.0° | 60.1° |
| C15 | C8 | C10 | H43 | 90.0° | 60.0° |
| C15 | C8 | C10 | H44 | 90.0° | 60.0° |
| C15 | C8 | C10 | H45 | 90.0° | 180.0° |
| C8 | C15 | H46 | H47 | 90.0° | 120.0° |
| C8 | C15 | H46 | H48 | 90.0° | 120.0° |
| C8 | C15 | H47 | H48 | 90.0° | 120.0° |
| H21 | C6 | C7 | H33 | 90.0° | 62.7° |
| H21 | C6 | C7 | H38 | 90.0° | 177.3° |
| H21 | C6 | C7 | H39 | 90.0° | 57.3° |
| H32 | C6 | C7 | H33 | 90.0° | 57.2° |
| H32 | C6 | C7 | H38 | 90.0° | 62.8° |
| H32 | C6 | C7 | H39 | 90.0° | 177.2° |
| H33 | C7 | H38 | H39 | 90.0° | 120.0° |
| H40 | C9 | H41 | H42 | 90.0° | 120.0° |
| H43 | C10 | H44 | H45 | 90.0° | 120.0° |
| H46 | C15 | H47 | H48 | 90.0° | 120.0° |
