X3P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | N | sing | 0.00Å | 1.46Å | |
| C11 | C12 | sing | 0.00Å | 1.57Å | |
| C11 | O12 | sing | 0.00Å | 1.43Å | |
| C12 | N | sing | 0.00Å | 1.49Å | |
| N | C15 | sing | 0.00Å | 1.44Å | |
| N | C14 | sing | 0.00Å | 1.47Å | |
| O12 | P | sing | 0.00Å | 1.67Å | |
| O13 | P | doub | 0.00Å | 1.52Å | |
| P | O14 | sing | 0.00Å | 1.51Å | |
| P | O11 | sing | 0.00Å | 1.67Å | |
| O31 | C31 | sing | 0.00Å | 1.43Å | |
| O31 | C3 | sing | 0.00Å | 1.42Å | |
| O32 | C31 | doub | 0.00Å | 1.18Å | |
| C31 | C32 | sing | 0.00Å | 1.55Å | |
| O11 | C1 | sing | 0.00Å | 1.42Å | |
| C1 | C2 | sing | 0.00Å | 1.52Å | |
| C2 | C3 | sing | 0.00Å | 1.54Å | |
| C2 | O21 | sing | 0.00Å | 1.41Å | |
| O22 | C21 | doub | 0.00Å | 1.18Å | |
| C32 | C33 | sing | 0.00Å | 1.55Å | |
| O21 | C21 | sing | 0.00Å | 1.43Å | |
| C21 | C22 | sing | 0.00Å | 1.56Å | |
| C33 | C34 | sing | 0.00Å | 1.55Å | |
| C22 | C23 | sing | 0.00Å | 1.55Å | |
| C23 | C24 | sing | 0.00Å | 1.54Å | |
| C24 | C25 | sing | 0.00Å | 1.55Å | |
| C34 | C35 | sing | 0.00Å | 1.54Å | |
| C25 | C26 | sing | 0.00Å | 1.56Å | |
| C27 | C26 | sing | 0.00Å | 1.55Å | |
| C27 | C28 | sing | 0.00Å | 1.56Å | |
| C35 | C36 | sing | 0.00Å | 1.55Å | |
| C36 | C37 | sing | 0.00Å | 1.57Å | |
| C28 | C29 | sing | 0.00Å | 1.55Å | |
| C37 | C38 | sing | 0.00Å | 1.56Å | |
| C1 | H1 | sing | 0.00Å | 1.10Å | |
| C1 | H2 | sing | 0.00Å | 1.10Å | |
| C2 | H3 | sing | 0.00Å | 1.10Å | |
| C3 | H4 | sing | 0.00Å | 1.10Å | |
| C3 | H5 | sing | 0.00Å | 1.10Å | |
| C11 | H6 | sing | 0.00Å | 1.10Å | |
| C11 | H7 | sing | 0.00Å | 1.10Å | |
| C12 | H8 | sing | 0.00Å | 1.10Å | |
| C12 | H9 | sing | 0.00Å | 1.10Å | |
| C13 | H10 | sing | 0.00Å | 1.10Å | |
| C13 | H11 | sing | 0.00Å | 1.10Å | |
| C13 | H12 | sing | 0.00Å | 1.10Å | |
| C14 | H13 | sing | 0.00Å | 1.10Å | |
| C14 | H14 | sing | 0.00Å | 1.10Å | |
| C14 | H15 | sing | 0.00Å | 1.10Å | |
| O14 | H16 | sing | 0.00Å | 0.95Å | |
| C15 | H17 | sing | 0.00Å | 1.10Å | |
| C15 | H18 | sing | 0.00Å | 1.10Å | |
| C15 | H19 | sing | 0.00Å | 1.10Å | |
| C22 | H20 | sing | 0.00Å | 1.10Å | |
| C22 | H21 | sing | 0.00Å | 1.10Å | |
| C23 | H22 | sing | 0.00Å | 1.10Å | |
| C23 | H23 | sing | 0.00Å | 1.10Å | |
| C24 | H24 | sing | 0.00Å | 1.10Å | |
| C24 | H25 | sing | 0.00Å | 1.10Å | |
| C25 | H26 | sing | 0.00Å | 1.10Å | |
| C25 | H27 | sing | 0.00Å | 1.10Å | |
| C26 | H28 | sing | 0.00Å | 1.10Å | |
| C26 | H29 | sing | 0.00Å | 1.10Å | |
| C27 | H30 | sing | 0.00Å | 1.10Å | |
| C27 | H31 | sing | 0.00Å | 1.10Å | |
| C28 | H32 | sing | 0.00Å | 1.10Å | |
| C28 | H33 | sing | 0.00Å | 1.10Å | |
| C29 | H34 | sing | 0.00Å | 1.10Å | |
| C29 | H35 | sing | 0.00Å | 1.10Å | |
| C29 | H36 | sing | 0.00Å | 1.10Å | |
| C32 | H37 | sing | 0.00Å | 1.10Å | |
| C32 | H38 | sing | 0.00Å | 1.10Å | |
| C33 | H39 | sing | 0.00Å | 1.10Å | |
| C33 | H40 | sing | 0.00Å | 1.10Å | |
| C34 | H41 | sing | 0.00Å | 1.10Å | |
| C34 | H42 | sing | 0.00Å | 1.10Å | |
| C35 | H43 | sing | 0.00Å | 1.10Å | |
| C35 | H44 | sing | 0.00Å | 1.10Å | |
| C36 | H45 | sing | 0.00Å | 1.10Å | |
| C36 | H46 | sing | 0.00Å | 1.10Å | |
| C37 | H47 | sing | 0.00Å | 1.10Å | |
| C37 | H48 | sing | 0.00Å | 1.10Å | |
| C38 | H49 | sing | 0.00Å | 1.10Å | |
| C38 | H50 | sing | 0.00Å | 1.10Å | |
| C38 | H51 | sing | 0.00Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | N | C12 | 111.4° | 90.0° |
| C13 | N | C15 | 108.7° | 90.0° |
| C13 | N | C14 | 110.0° | 90.0° |
| N | C13 | H10 | 109.5° | 90.0° |
| N | C13 | H11 | 109.5° | 90.0° |
| N | C13 | H12 | 109.4° | 90.0° |
| C12 | C11 | O12 | 111.9° | 90.0° |
| C11 | C12 | N | 115.7° | 90.0° |
| C12 | C11 | H6 | 108.9° | 90.0° |
| C12 | C11 | H7 | 108.9° | 90.0° |
| C11 | C12 | H8 | 107.9° | 90.0° |
| C11 | C12 | H9 | 107.9° | 90.0° |
| C11 | O12 | P | 119.6° | 90.0° |
| O12 | C11 | H6 | 108.8° | 90.0° |
| O12 | C11 | H7 | 108.8° | 90.0° |
| C12 | N | C15 | 107.3° | 90.0° |
| C12 | N | C14 | 111.5° | 90.0° |
| N | C12 | H8 | 107.9° | 90.0° |
| N | C12 | H9 | 107.9° | 90.0° |
| C15 | N | C14 | 107.9° | 90.0° |
| N | C15 | H17 | 109.5° | 90.0° |
| N | C15 | H18 | 109.5° | 90.0° |
| N | C15 | H19 | 109.5° | 90.0° |
| N | C14 | H13 | 109.5° | 90.0° |
| N | C14 | H14 | 109.5° | 90.0° |
| N | C14 | H15 | 109.5° | 90.0° |
| O12 | P | O13 | 109.5° | 90.0° |
| O12 | P | O14 | 110.2° | 90.0° |
| O12 | P | O11 | 108.4° | 90.0° |
| O13 | P | O14 | 109.6° | 90.0° |
| O13 | P | O11 | 109.3° | 90.0° |
| O14 | P | O11 | 109.8° | 90.0° |
| P | O14 | H16 | 109.5° | 90.0° |
| P | O11 | C1 | 117.1° | 90.0° |
| C31 | O31 | C3 | 112.0° | 90.0° |
| O31 | C31 | O32 | 120.4° | 90.0° |
| O31 | C31 | C32 | 119.0° | 90.0° |
| O31 | C3 | C2 | 109.6° | 90.0° |
| O31 | C3 | H4 | 109.5° | 90.0° |
| O31 | C3 | H5 | 109.4° | 90.0° |
| O32 | C31 | C32 | 120.6° | 90.0° |
| C31 | C32 | C33 | 108.7° | 90.0° |
| C31 | C32 | H37 | 109.7° | 90.0° |
| C31 | C32 | H38 | 109.7° | 90.0° |
| O11 | C1 | C2 | 109.7° | 90.0° |
| O11 | C1 | H1 | 109.4° | 90.0° |
| O11 | C1 | H2 | 109.4° | 90.0° |
| C1 | C2 | C3 | 109.4° | 90.0° |
| C1 | C2 | O21 | 109.1° | 90.0° |
| C2 | C1 | H1 | 109.4° | 90.0° |
| C2 | C1 | H2 | 109.4° | 90.0° |
| C1 | C2 | H3 | 109.0° | 90.0° |
| C3 | C2 | O21 | 109.8° | 90.0° |
| C3 | C2 | H3 | 108.8° | 90.0° |
| C2 | C3 | H4 | 109.4° | 90.0° |
| C2 | C3 | H5 | 109.5° | 90.0° |
| C2 | O21 | C21 | 114.9° | 90.0° |
| O21 | C2 | H3 | 110.7° | 90.0° |
| O22 | C21 | O21 | 119.9° | 90.0° |
| O22 | C21 | C22 | 119.9° | 90.0° |
| C32 | C33 | C34 | 109.3° | 90.0° |
| C33 | C32 | H37 | 109.7° | 90.0° |
| C33 | C32 | H38 | 109.7° | 90.0° |
| C32 | C33 | H39 | 109.5° | 90.0° |
| C32 | C33 | H40 | 109.5° | 90.0° |
| O21 | C21 | C22 | 120.1° | 90.0° |
| C21 | C22 | C23 | 109.4° | 90.0° |
| C21 | C22 | H20 | 109.5° | 90.0° |
| C21 | C22 | H21 | 109.5° | 90.0° |
| C33 | C34 | C35 | 110.0° | 90.0° |
| C34 | C33 | H39 | 109.5° | 90.0° |
| C34 | C33 | H40 | 109.5° | 90.0° |
| C33 | C34 | H41 | 109.3° | 90.0° |
| C33 | C34 | H42 | 109.4° | 90.0° |
| C22 | C23 | C24 | 109.2° | 90.0° |
| C23 | C22 | H20 | 109.5° | 90.0° |
| C23 | C22 | H21 | 109.5° | 90.0° |
| C22 | C23 | H22 | 109.5° | 90.0° |
| C22 | C23 | H23 | 109.5° | 90.0° |
| C23 | C24 | C25 | 109.8° | 90.0° |
| C24 | C23 | H22 | 109.5° | 90.0° |
| C24 | C23 | H23 | 109.5° | 90.0° |
| C23 | C24 | H24 | 109.4° | 90.0° |
| C23 | C24 | H25 | 109.4° | 90.0° |
| C24 | C25 | C26 | 109.7° | 90.0° |
| C25 | C24 | H24 | 109.4° | 90.0° |
| C25 | C24 | H25 | 109.4° | 90.0° |
| C24 | C25 | H26 | 109.4° | 90.0° |
| C24 | C25 | H27 | 109.4° | 90.0° |
| C34 | C35 | C36 | 109.9° | 90.0° |
| C35 | C34 | H41 | 109.4° | 90.0° |
| C35 | C34 | H42 | 109.3° | 90.0° |
| C34 | C35 | H43 | 109.3° | 90.0° |
| C34 | C35 | H44 | 109.4° | 90.0° |
| C25 | C26 | C27 | 109.5° | 90.0° |
| C26 | C25 | H26 | 109.4° | 90.0° |
| C26 | C25 | H27 | 109.5° | 90.0° |
| C25 | C26 | H28 | 109.5° | 90.0° |
| C25 | C26 | H29 | 109.5° | 90.0° |
| C26 | C27 | C28 | 109.3° | 90.0° |
| C27 | C26 | H28 | 109.5° | 90.0° |
| C27 | C26 | H29 | 109.4° | 90.0° |
| C26 | C27 | H30 | 109.5° | 90.0° |
| C26 | C27 | H31 | 109.5° | 90.0° |
| C27 | C28 | C29 | 109.4° | 90.0° |
| C28 | C27 | H30 | 109.5° | 90.0° |
| C28 | C27 | H31 | 109.5° | 90.0° |
| C27 | C28 | H32 | 109.5° | 90.0° |
| C27 | C28 | H33 | 109.5° | 90.0° |
| C35 | C36 | C37 | 109.7° | 90.0° |
| C36 | C35 | H43 | 109.4° | 90.0° |
| C36 | C35 | H44 | 109.3° | 90.0° |
| C35 | C36 | H45 | 109.4° | 90.0° |
| C35 | C36 | H46 | 109.4° | 90.0° |
| C36 | C37 | C38 | 109.7° | 90.0° |
| C37 | C36 | H45 | 109.4° | 90.0° |
| C37 | C36 | H46 | 109.4° | 90.0° |
| C36 | C37 | H47 | 109.4° | 90.0° |
| C36 | C37 | H48 | 109.4° | 90.0° |
| C29 | C28 | H32 | 109.5° | 90.0° |
| C29 | C28 | H33 | 109.5° | 90.0° |
| C28 | C29 | H34 | 109.5° | 90.0° |
| C28 | C29 | H35 | 109.5° | 90.0° |
| C28 | C29 | H36 | 109.5° | 90.0° |
| C38 | C37 | H47 | 109.4° | 90.0° |
| C38 | C37 | H48 | 109.4° | 90.0° |
| C37 | C38 | H49 | 109.5° | 90.0° |
| C37 | C38 | H50 | 109.4° | 90.0° |
| C37 | C38 | H51 | 109.5° | 90.0° |
| H1 | C1 | H2 | 109.5° | 90.0° |
| H4 | C3 | H5 | 109.4° | 90.0° |
| H6 | C11 | H7 | 109.5° | 90.0° |
| H8 | C12 | H9 | 109.5° | 90.0° |
| H10 | C13 | H11 | 109.5° | 90.0° |
| H10 | C13 | H12 | 109.5° | 90.0° |
| H11 | C13 | H12 | 109.5° | 90.0° |
| H13 | C14 | H14 | 109.5° | 90.0° |
| H13 | C14 | H15 | 109.5° | 90.0° |
| H14 | C14 | H15 | 109.5° | 90.0° |
| H17 | C15 | H18 | 109.5° | 90.0° |
| H17 | C15 | H19 | 109.5° | 90.0° |
| H18 | C15 | H19 | 109.5° | 90.0° |
| H20 | C22 | H21 | 109.5° | 90.0° |
| H22 | C23 | H23 | 109.5° | 90.0° |
| H24 | C24 | H25 | 109.5° | 90.0° |
| H26 | C25 | H27 | 109.5° | 90.0° |
| H28 | C26 | H29 | 109.5° | 90.0° |
| H30 | C27 | H31 | 109.5° | 90.0° |
| H32 | C28 | H33 | 109.5° | 90.0° |
| H34 | C29 | H35 | 109.5° | 90.0° |
| H34 | C29 | H36 | 109.5° | 90.0° |
| H35 | C29 | H36 | 109.5° | 90.0° |
| H37 | C32 | H38 | 109.4° | 90.0° |
| H39 | C33 | H40 | 109.5° | 90.0° |
| H41 | C34 | H42 | 109.5° | 90.0° |
| H43 | C35 | H44 | 109.5° | 90.0° |
| H45 | C36 | H46 | 109.4° | 90.0° |
| H47 | C37 | H48 | 109.5° | 90.0° |
| H49 | C38 | H50 | 109.5° | 90.0° |
| H49 | C38 | H51 | 109.4° | 90.0° |
| H50 | C38 | H51 | 109.5° | 90.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | N | C12 | C11 | 65.6° | 90.0° |
| C13 | N | C12 | C15 | 118.8° | 90.0° |
| C13 | N | C12 | C14 | 123.3° | 90.0° |
| C13 | N | C15 | C14 | 119.2° | 90.0° |
| C13 | N | C12 | H8 | 173.5° | 90.0° |
| C13 | N | C12 | H9 | 55.3° | 90.0° |
| N | C13 | H10 | H11 | 120.0° | 90.0° |
| N | C13 | H10 | H12 | 120.0° | 90.0° |
| N | C13 | H11 | H12 | 120.0° | 90.0° |
| C13 | N | C14 | H13 | 180.0° | 90.0° |
| C13 | N | C14 | H14 | 60.0° | 90.0° |
| C13 | N | C14 | H15 | 60.0° | 90.0° |
| C13 | N | C15 | H17 | 180.0° | 90.0° |
| C13 | N | C15 | H18 | 60.0° | 90.0° |
| C13 | N | C15 | H19 | 60.0° | 90.0° |
| C12 | C11 | O12 | H6 | 120.4° | 90.0° |
| C12 | C11 | O12 | H7 | 120.4° | 90.0° |
| C11 | C12 | N | H8 | 120.9° | 90.0° |
| C11 | C12 | N | H9 | 120.9° | 90.0° |
| C11 | C12 | N | C15 | 175.6° | 90.0° |
| C11 | C12 | N | C14 | 57.7° | 90.0° |
| C12 | C11 | O12 | P | 80.7° | 90.0° |
| C12 | C11 | H6 | H7 | 118.9° | 90.0° |
| C11 | C12 | H8 | H9 | 117.1° | 90.0° |
| O12 | C11 | C12 | N | 71.5° | 90.0° |
| C11 | O12 | P | O13 | 97.4° | 90.0° |
| C11 | O12 | P | O14 | 23.3° | 90.0° |
| C11 | O12 | P | O11 | 143.4° | 90.0° |
| O12 | C11 | H6 | H7 | 118.9° | 90.0° |
| O12 | C11 | C12 | H8 | 49.4° | 90.0° |
| O12 | C11 | C12 | H9 | 167.5° | 90.0° |
| C12 | N | C15 | C14 | 120.2° | 90.0° |
| N | C12 | C11 | H6 | 48.8° | 90.0° |
| N | C12 | C11 | H7 | 168.1° | 90.0° |
| N | C12 | H8 | H9 | 117.2° | 90.0° |
| C12 | N | C13 | H10 | 180.0° | 90.0° |
| C12 | N | C13 | H11 | 60.0° | 90.0° |
| C12 | N | C13 | H12 | 60.0° | 90.0° |
| C12 | N | C14 | H13 | 55.9° | 90.0° |
| C12 | N | C14 | H14 | 175.9° | 90.0° |
| C12 | N | C14 | H15 | 64.1° | 90.0° |
| C12 | N | C15 | H17 | 59.4° | 90.0° |
| C12 | N | C15 | H18 | 60.6° | 90.0° |
| C12 | N | C15 | H19 | 179.4° | 90.0° |
| C15 | N | C12 | H8 | 54.7° | 90.0° |
| C15 | N | C12 | H9 | 63.5° | 90.0° |
| C15 | N | C13 | H10 | 62.0° | 90.0° |
| C15 | N | C13 | H11 | 58.0° | 90.0° |
| C15 | N | C13 | H12 | 178.0° | 90.0° |
| C15 | N | C14 | H13 | 61.7° | 90.0° |
| C15 | N | C14 | H14 | 58.4° | 90.0° |
| C15 | N | C14 | H15 | 178.4° | 90.0° |
| N | C15 | H17 | H18 | 120.0° | 90.0° |
| N | C15 | H17 | H19 | 120.0° | 90.0° |
| N | C15 | H18 | H19 | 120.0° | 90.0° |
| C14 | N | C12 | H8 | 63.2° | 90.0° |
| C14 | N | C12 | H9 | 178.6° | 90.0° |
| C14 | N | C13 | H10 | 55.9° | 90.0° |
| C14 | N | C13 | H11 | 175.9° | 90.0° |
| C14 | N | C13 | H12 | 64.1° | 90.0° |
| N | C14 | H13 | H14 | 120.0° | 90.0° |
| N | C14 | H13 | H15 | 120.0° | 90.0° |
| N | C14 | H14 | H15 | 120.0° | 90.0° |
| C14 | N | C15 | H17 | 60.8° | 90.0° |
| C14 | N | C15 | H18 | 179.2° | 90.0° |
| C14 | N | C15 | H19 | 59.2° | 90.0° |
| O12 | P | O13 | O14 | 121.0° | 90.0° |
| O12 | P | O13 | O11 | 118.6° | 90.0° |
| O12 | P | O14 | O11 | 119.3° | 90.0° |
| O12 | P | O11 | C1 | 56.8° | 90.0° |
| P | O12 | C11 | H6 | 159.0° | 90.0° |
| P | O12 | C11 | H7 | 39.7° | 90.0° |
| O12 | P | O14 | H16 | 120.6° | 90.0° |
| O13 | P | O14 | O11 | 120.1° | 90.0° |
| O13 | P | O11 | C1 | 62.5° | 90.0° |
| O13 | P | O14 | H16 | 0.0° | 90.0° |
| O14 | P | O11 | C1 | 177.2° | 90.0° |
| P | O11 | C1 | C2 | 106.6° | 90.0° |
| P | O11 | C1 | H1 | 13.4° | 90.0° |
| P | O11 | C1 | H2 | 133.3° | 90.0° |
| O11 | P | O14 | H16 | 120.1° | 90.0° |
| O31 | C31 | O32 | C32 | 179.9° | 90.0° |
| C31 | O31 | C3 | C2 | 156.9° | 90.0° |
| O31 | C31 | C32 | C33 | 103.2° | 90.0° |
| C31 | O31 | C3 | H4 | 83.1° | 90.0° |
| C31 | O31 | C3 | H5 | 36.9° | 90.0° |
| O31 | C31 | C32 | H37 | 136.9° | 90.0° |
| O31 | C31 | C32 | H38 | 16.7° | 90.0° |
| C3 | O31 | C31 | O32 | 85.7° | 90.0° |
| C3 | O31 | C31 | C32 | 94.2° | 90.0° |
| O31 | C3 | C2 | C1 | 43.1° | 90.0° |
| O31 | C3 | C2 | H4 | 120.0° | 90.0° |
| O31 | C3 | C2 | H5 | 120.0° | 90.0° |
| O31 | C3 | C2 | O21 | 162.8° | 90.0° |
| O31 | C3 | C2 | H3 | 75.9° | 90.0° |
| O31 | C3 | H4 | H5 | 119.9° | 90.0° |
| O32 | C31 | C32 | C33 | 76.7° | 90.0° |
| O32 | C31 | C32 | H37 | 43.2° | 90.0° |
| O32 | C31 | C32 | H38 | 163.4° | 90.0° |
| C31 | C32 | C33 | H37 | 119.9° | 90.0° |
| C31 | C32 | C33 | H38 | 119.9° | 90.0° |
| C31 | C32 | C33 | C34 | 125.8° | 90.0° |
| C31 | C32 | H37 | H38 | 120.3° | 90.0° |
| C31 | C32 | C33 | H39 | 5.8° | 90.0° |
| C31 | C32 | C33 | H40 | 114.2° | 90.0° |
| O11 | C1 | C2 | H1 | 120.0° | 90.0° |
| O11 | C1 | C2 | H2 | 120.1° | 90.0° |
| O11 | C1 | C2 | C3 | 172.4° | 90.0° |
| O11 | C1 | C2 | O21 | 52.2° | 90.0° |
| O11 | C1 | H1 | H2 | 119.9° | 90.0° |
| O11 | C1 | C2 | H3 | 68.7° | 90.0° |
| C1 | C2 | C3 | O21 | 119.7° | 90.0° |
| C1 | C2 | C3 | H3 | 119.0° | 90.0° |
| C1 | C2 | O21 | H3 | 120.0° | 90.0° |
| C1 | C2 | O21 | C21 | 177.3° | 90.0° |
| C2 | C1 | H1 | H2 | 119.9° | 90.0° |
| C1 | C2 | C3 | H4 | 163.1° | 90.0° |
| C1 | C2 | C3 | H5 | 77.0° | 90.0° |
| C3 | C2 | O21 | H3 | 120.2° | 90.0° |
| C3 | C2 | O21 | C21 | 62.8° | 90.0° |
| C3 | C2 | C1 | H1 | 67.6° | 90.0° |
| C3 | C2 | C1 | H2 | 52.3° | 90.0° |
| C2 | C3 | H4 | H5 | 120.0° | 90.0° |
| C2 | O21 | C21 | O22 | 39.2° | 90.0° |
| C2 | O21 | C21 | C22 | 141.1° | 90.0° |
| O21 | C2 | C1 | H1 | 172.3° | 90.0° |
| O21 | C2 | C1 | H2 | 67.8° | 90.0° |
| O21 | C2 | C3 | H4 | 77.2° | 90.0° |
| O21 | C2 | C3 | H5 | 42.8° | 90.0° |
| O22 | C21 | O21 | C22 | 179.7° | 90.0° |
| O22 | C21 | C22 | C23 | 53.8° | 90.0° |
| O22 | C21 | C22 | H20 | 173.8° | 90.0° |
| O22 | C21 | C22 | H21 | 66.2° | 90.0° |
| C32 | C33 | C34 | H39 | 120.0° | 90.0° |
| C32 | C33 | C34 | H40 | 120.0° | 90.0° |
| C32 | C33 | C34 | C35 | 176.8° | 90.0° |
| C33 | C32 | H37 | H38 | 120.4° | 90.0° |
| C32 | C33 | H39 | H40 | 120.1° | 90.0° |
| C32 | C33 | C34 | H41 | 56.7° | 90.0° |
| C32 | C33 | C34 | H42 | 63.2° | 90.0° |
| O21 | C21 | C22 | C23 | 126.5° | 90.0° |
| C21 | O21 | C2 | H3 | 57.3° | 90.0° |
| O21 | C21 | C22 | H20 | 6.5° | 90.0° |
| O21 | C21 | C22 | H21 | 113.5° | 90.0° |
| C21 | C22 | C23 | H20 | 120.0° | 90.0° |
| C21 | C22 | C23 | H21 | 120.0° | 90.0° |
| C21 | C22 | C23 | C24 | 86.3° | 90.0° |
| C21 | C22 | H20 | H21 | 120.1° | 90.0° |
| C21 | C22 | C23 | H22 | 153.7° | 90.0° |
| C21 | C22 | C23 | H23 | 33.6° | 90.0° |
| C33 | C34 | C35 | H41 | 120.1° | 90.0° |
| C33 | C34 | C35 | H42 | 120.1° | 90.0° |
| C33 | C34 | C35 | C36 | 77.8° | 90.0° |
| C34 | C33 | C32 | H37 | 114.3° | 90.0° |
| C34 | C33 | C32 | H38 | 5.9° | 90.0° |
| C34 | C33 | H39 | H40 | 120.1° | 90.0° |
| C33 | C34 | H41 | H42 | 119.8° | 90.0° |
| C33 | C34 | C35 | H43 | 162.1° | 90.0° |
| C33 | C34 | C35 | H44 | 42.2° | 90.0° |
| C22 | C23 | C24 | H22 | 119.9° | 90.0° |
| C22 | C23 | C24 | H23 | 119.9° | 90.0° |
| C22 | C23 | C24 | C25 | 179.9° | 90.0° |
| C23 | C22 | H20 | H21 | 120.0° | 90.0° |
| C22 | C23 | H22 | H23 | 120.1° | 90.0° |
| C22 | C23 | C24 | H24 | 60.0° | 90.0° |
| C22 | C23 | C24 | H25 | 59.9° | 90.0° |
| C23 | C24 | C25 | H24 | 120.1° | 90.0° |
| C23 | C24 | C25 | H25 | 120.0° | 90.0° |
| C23 | C24 | C25 | C26 | 95.0° | 90.0° |
| C24 | C23 | C22 | H20 | 33.7° | 90.0° |
| C24 | C23 | C22 | H21 | 153.7° | 90.0° |
| C24 | C23 | H22 | H23 | 120.1° | 90.0° |
| C23 | C24 | H24 | H25 | 119.8° | 90.0° |
| C23 | C24 | C25 | H26 | 25.0° | 90.0° |
| C23 | C24 | C25 | H27 | 144.9° | 90.0° |
| C24 | C25 | C26 | H26 | 120.0° | 90.0° |
| C24 | C25 | C26 | H27 | 120.0° | 90.0° |
| C24 | C25 | C26 | C27 | 152.9° | 90.0° |
| C25 | C24 | C23 | H22 | 60.0° | 90.0° |
| C25 | C24 | C23 | H23 | 60.1° | 90.0° |
| C25 | C24 | H24 | H25 | 119.8° | 90.0° |
| C24 | C25 | H26 | H27 | 119.9° | 90.0° |
| C24 | C25 | C26 | H28 | 87.0° | 90.0° |
| C24 | C25 | C26 | H29 | 33.0° | 90.0° |
| C34 | C35 | C36 | H43 | 120.0° | 90.0° |
| C34 | C35 | C36 | H44 | 120.1° | 90.0° |
| C34 | C35 | C36 | C37 | 171.7° | 90.0° |
| C35 | C34 | C33 | H39 | 63.3° | 90.0° |
| C35 | C34 | C33 | H40 | 56.8° | 90.0° |
| C35 | C34 | H41 | H42 | 119.8° | 90.0° |
| C34 | C35 | H43 | H44 | 119.8° | 90.0° |
| C34 | C35 | C36 | H45 | 68.2° | 90.0° |
| C34 | C35 | C36 | H46 | 51.7° | 90.0° |
| C25 | C26 | C27 | H28 | 120.0° | 90.0° |
| C25 | C26 | C27 | H29 | 120.0° | 90.0° |
| C25 | C26 | C27 | C28 | 162.6° | 90.0° |
| C26 | C25 | C24 | H24 | 144.9° | 90.0° |
| C26 | C25 | C24 | H25 | 25.0° | 90.0° |
| C26 | C25 | H26 | H27 | 120.0° | 90.0° |
| C25 | C26 | H28 | H29 | 120.0° | 90.0° |
| C25 | C26 | C27 | H30 | 77.4° | 90.0° |
| C25 | C26 | C27 | H31 | 42.7° | 90.0° |
| C26 | C27 | C28 | H30 | 120.0° | 90.0° |
| C26 | C27 | C28 | H31 | 120.0° | 90.0° |
| C26 | C27 | C28 | C29 | 95.9° | 90.0° |
| C27 | C26 | C25 | H26 | 32.9° | 90.0° |
| C27 | C26 | C25 | H27 | 87.0° | 90.0° |
| C27 | C26 | H28 | H29 | 120.0° | 90.0° |
| C26 | C27 | H30 | H31 | 120.1° | 90.0° |
| C26 | C27 | C28 | H32 | 24.1° | 90.0° |
| C26 | C27 | C28 | H33 | 144.1° | 90.0° |
| C27 | C28 | C29 | H32 | 120.0° | 90.0° |
| C27 | C28 | C29 | H33 | 120.0° | 90.0° |
| C28 | C27 | C26 | H28 | 42.6° | 90.0° |
| C28 | C27 | C26 | H29 | 77.4° | 90.0° |
| C28 | C27 | H30 | H31 | 120.1° | 90.0° |
| C27 | C28 | H32 | H33 | 120.1° | 90.0° |
| C27 | C28 | C29 | H34 | 180.0° | 90.0° |
| C27 | C28 | C29 | H35 | 60.0° | 90.0° |
| C27 | C28 | C29 | H36 | 60.0° | 90.0° |
| C35 | C36 | C37 | H45 | 120.1° | 90.0° |
| C35 | C36 | C37 | H46 | 120.0° | 90.0° |
| C35 | C36 | C37 | C38 | 161.9° | 90.0° |
| C36 | C35 | C34 | H41 | 42.2° | 90.0° |
| C36 | C35 | C34 | H42 | 162.1° | 90.0° |
| C36 | C35 | H43 | H44 | 119.8° | 90.0° |
| C35 | C36 | H45 | H46 | 119.9° | 90.0° |
| C35 | C36 | C37 | H47 | 41.8° | 90.0° |
| C35 | C36 | C37 | H48 | 78.1° | 90.0° |
| C36 | C37 | C38 | H47 | 120.0° | 90.0° |
| C36 | C37 | C38 | H48 | 120.0° | 90.0° |
| C37 | C36 | C35 | H43 | 51.7° | 90.0° |
| C37 | C36 | C35 | H44 | 68.2° | 90.0° |
| C37 | C36 | H45 | H46 | 119.9° | 90.0° |
| C36 | C37 | H47 | H48 | 119.9° | 90.0° |
| C36 | C37 | C38 | H49 | 180.0° | 90.0° |
| C36 | C37 | C38 | H50 | 60.0° | 90.0° |
| C36 | C37 | C38 | H51 | 60.0° | 90.0° |
| C29 | C28 | C27 | H30 | 144.1° | 90.0° |
| C29 | C28 | C27 | H31 | 24.0° | 90.0° |
| C29 | C28 | H32 | H33 | 120.0° | 90.0° |
| C28 | C29 | H34 | H35 | 120.0° | 90.0° |
| C28 | C29 | H34 | H36 | 120.0° | 90.0° |
| C28 | C29 | H35 | H36 | 120.0° | 90.0° |
| C38 | C37 | C36 | H45 | 78.1° | 90.0° |
| C38 | C37 | C36 | H46 | 41.8° | 90.0° |
| C38 | C37 | H47 | H48 | 119.9° | 90.0° |
| C37 | C38 | H49 | H50 | 120.0° | 90.0° |
| C37 | C38 | H49 | H51 | 120.0° | 90.0° |
| C37 | C38 | H50 | H51 | 120.0° | 90.0° |
| H1 | C1 | C2 | H3 | 51.3° | 90.0° |
| H2 | C1 | C2 | H3 | 171.2° | 90.0° |
| H3 | C2 | C3 | H4 | 44.1° | 90.0° |
| H3 | C2 | C3 | H5 | 164.0° | 90.0° |
| H6 | C11 | C12 | H8 | 169.7° | 90.0° |
| H6 | C11 | C12 | H9 | 72.1° | 90.0° |
| H7 | C11 | C12 | H8 | 71.0° | 90.0° |
| H7 | C11 | C12 | H9 | 47.2° | 90.0° |
| H10 | C13 | H11 | H12 | 120.0° | 90.0° |
| H13 | C14 | H14 | H15 | 120.0° | 90.0° |
| H17 | C15 | H18 | H19 | 120.0° | 90.0° |
| H20 | C22 | C23 | H22 | 86.3° | 90.0° |
| H20 | C22 | C23 | H23 | 153.6° | 90.0° |
| H21 | C22 | C23 | H22 | 33.7° | 90.0° |
| H21 | C22 | C23 | H23 | 86.4° | 90.0° |
| H22 | C23 | C24 | H24 | 180.0° | 90.0° |
| H22 | C23 | C24 | H25 | 60.1° | 90.0° |
| H23 | C23 | C24 | H24 | 59.9° | 90.0° |
| H23 | C23 | C24 | H25 | 179.8° | 90.0° |
| H24 | C24 | C25 | H26 | 95.1° | 90.0° |
| H24 | C24 | C25 | H27 | 24.8° | 90.0° |
| H25 | C24 | C25 | H26 | 145.0° | 90.0° |
| H25 | C24 | C25 | H27 | 95.1° | 90.0° |
| H26 | C25 | C26 | H28 | 153.0° | 90.0° |
| H26 | C25 | C26 | H29 | 87.0° | 90.0° |
| H27 | C25 | C26 | H28 | 33.0° | 90.0° |
| H27 | C25 | C26 | H29 | 153.0° | 90.0° |
| H28 | C26 | C27 | H30 | 162.6° | 90.0° |
| H28 | C26 | C27 | H31 | 77.3° | 90.0° |
| H29 | C26 | C27 | H30 | 42.6° | 90.0° |
| H29 | C26 | C27 | H31 | 162.7° | 90.0° |
| H30 | C27 | C28 | H32 | 95.9° | 90.0° |
| H30 | C27 | C28 | H33 | 24.1° | 90.0° |
| H31 | C27 | C28 | H32 | 144.0° | 90.0° |
| H31 | C27 | C28 | H33 | 96.0° | 90.0° |
| H32 | C28 | C29 | H34 | 60.0° | 90.0° |
| H32 | C28 | C29 | H35 | 180.0° | 90.0° |
| H32 | C28 | C29 | H36 | 60.0° | 90.0° |
| H33 | C28 | C29 | H34 | 60.0° | 90.0° |
| H33 | C28 | C29 | H35 | 60.0° | 90.0° |
| H33 | C28 | C29 | H36 | 180.0° | 90.0° |
| H34 | C29 | H35 | H36 | 120.0° | 90.0° |
| H37 | C32 | C33 | H39 | 125.7° | 90.0° |
| H37 | C32 | C33 | H40 | 5.7° | 90.0° |
| H38 | C32 | C33 | H39 | 114.0° | 90.0° |
| H38 | C32 | C33 | H40 | 125.9° | 90.0° |
| H39 | C33 | C34 | H41 | 176.6° | 90.0° |
| H39 | C33 | C34 | H42 | 56.8° | 90.0° |
| H40 | C33 | C34 | H41 | 63.3° | 90.0° |
| H40 | C33 | C34 | H42 | 176.9° | 90.0° |
| H41 | C34 | C35 | H43 | 77.8° | 90.0° |
| H41 | C34 | C35 | H44 | 162.3° | 90.0° |
| H42 | C34 | C35 | H43 | 42.0° | 90.0° |
| H42 | C34 | C35 | H44 | 77.9° | 90.0° |
| H43 | C35 | C36 | H45 | 171.7° | 90.0° |
| H43 | C35 | C36 | H46 | 68.4° | 90.0° |
| H44 | C35 | C36 | H45 | 51.9° | 90.0° |
| H44 | C35 | C36 | H46 | 171.8° | 90.0° |
| H45 | C36 | C37 | H47 | 161.9° | 90.0° |
| H45 | C36 | C37 | H48 | 42.0° | 90.0° |
| H46 | C36 | C37 | H47 | 78.2° | 90.0° |
| H46 | C36 | C37 | H48 | 161.9° | 90.0° |
| H47 | C37 | C38 | H49 | 60.0° | 90.0° |
| H47 | C37 | C38 | H50 | 180.0° | 90.0° |
| H47 | C37 | C38 | H51 | 60.0° | 90.0° |
| H48 | C37 | C38 | H49 | 60.0° | 90.0° |
| H48 | C37 | C38 | H50 | 60.0° | 90.0° |
| H48 | C37 | C38 | H51 | 180.0° | 90.0° |
| H49 | C38 | H50 | H51 | 120.0° | 90.0° |






