BJR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C36 | C37 | sing | 1.53Å | 1.57Å | |
| C36 | C35 | sing | 1.53Å | 1.57Å | |
| C34 | C33 | sing | 1.53Å | 1.58Å | |
| C34 | C35 | sing | 1.53Å | 1.58Å | |
| C33 | C32 | sing | 1.53Å | 1.58Å | |
| C37 | C38 | sing | 1.53Å | 1.56Å | |
| C32 | C31 | sing | 1.53Å | 1.58Å | |
| C38 | C39 | sing | 1.53Å | 1.55Å | |
| C31 | C30 | sing | 1.53Å | 1.57Å | |
| C30 | C29 | sing | 1.53Å | 1.57Å | |
| C29 | C28 | sing | 1.53Å | 1.56Å | |
| C28 | C27 | sing | 1.53Å | 1.56Å | |
| C27 | C26 | sing | 1.53Å | 1.56Å | |
| C26 | C25 | sing | 1.53Å | 1.56Å | |
| C25 | C24 | sing | 1.51Å | 1.54Å | |
| C24 | O8 | sing | 1.34Å | 1.41Å | |
| C24 | O9 | doub | 1.21Å | 1.39Å | |
| O8 | C5 | sing | 1.45Å | 1.42Å | |
| O6 | C4 | sing | 1.45Å | 1.40Å | |
| C5 | C4 | sing | 1.53Å | 1.54Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | O4 | sing | 1.43Å | 1.43Å | |
| O4 | P1 | sing | 1.61Å | 1.67Å | |
| P1 | O2 | doub | 1.48Å | 1.51Å | |
| P1 | O3 | sing | 1.61Å | 1.51Å | |
| P1 | O1 | sing | 1.61Å | 1.66Å | |
| C1C | N1 | sing | 1.47Å | 1.48Å | |
| O1 | C2 | sing | 1.43Å | 1.43Å | |
| C2 | C1 | sing | 1.53Å | 1.57Å | |
| N1 | C1B | sing | 1.47Å | 1.50Å | |
| N1 | C1A | sing | 1.47Å | 1.48Å | |
| N1 | C1 | sing | 1.47Å | 1.51Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1C | H9 | sing | 1.09Å | 1.10Å | |
| C1C | H10 | sing | 1.09Å | 1.10Å | |
| C1C | H11 | sing | 1.09Å | 1.10Å | |
| C1B | H12 | sing | 1.09Å | 1.10Å | |
| C1B | H13 | sing | 1.09Å | 1.10Å | |
| C1B | H14 | sing | 1.09Å | 1.10Å | |
| C1A | H15 | sing | 1.09Å | 1.10Å | |
| C1A | H16 | sing | 1.09Å | 1.10Å | |
| C1A | H17 | sing | 1.09Å | 1.10Å | |
| C5 | H18 | sing | 1.09Å | 1.10Å | |
| C5 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H30 | sing | 1.09Å | 1.10Å | |
| C29 | H31 | sing | 1.09Å | 1.10Å | |
| C30 | H32 | sing | 1.09Å | 1.10Å | |
| C30 | H33 | sing | 1.09Å | 1.10Å | |
| C31 | H34 | sing | 1.09Å | 1.10Å | |
| C31 | H35 | sing | 1.09Å | 1.10Å | |
| C32 | H36 | sing | 1.09Å | 1.10Å | |
| C32 | H37 | sing | 1.09Å | 1.10Å | |
| C33 | H38 | sing | 1.09Å | 1.10Å | |
| C33 | H39 | sing | 1.09Å | 1.10Å | |
| C34 | H40 | sing | 1.09Å | 1.10Å | |
| C34 | H41 | sing | 1.09Å | 1.10Å | |
| C35 | H42 | sing | 1.09Å | 1.10Å | |
| C35 | H43 | sing | 1.09Å | 1.10Å | |
| C36 | H44 | sing | 1.09Å | 1.10Å | |
| C36 | H45 | sing | 1.09Å | 1.10Å | |
| C37 | H46 | sing | 1.09Å | 1.10Å | |
| C37 | H47 | sing | 1.09Å | 1.10Å | |
| C38 | H48 | sing | 1.09Å | 1.10Å | |
| C38 | H49 | sing | 1.09Å | 1.10Å | |
| C39 | H50 | sing | 1.09Å | 1.10Å | |
| C39 | H51 | sing | 1.09Å | 1.10Å | |
| C39 | H52 | sing | 1.09Å | 1.10Å | |
| O3 | H53 | sing | 0.97Å | 0.95Å | |
| O6 | C6 | sing | 1.34Å | 666.85Å | |
| C6 | C7 | sing | 1.51Å | 0.00Å | |
| C7 | C8 | sing | 1.53Å | 0.00Å | |
| C8 | C9 | sing | 1.53Å | 0.00Å | |
| C9 | C10 | sing | 1.53Å | 0.00Å | |
| C10 | C11 | sing | 1.53Å | 0.00Å | |
| C11 | C12 | sing | 1.53Å | 0.00Å | |
| C12 | C13 | sing | 1.53Å | 0.00Å | |
| C13 | C14 | sing | 1.53Å | 0.00Å | |
| C14 | C15 | sing | 1.53Å | 0.00Å | |
| C15 | C16 | sing | 1.53Å | 0.00Å | |
| C16 | C17 | sing | 1.53Å | 0.00Å | |
| C17 | C18 | sing | 1.53Å | 0.00Å | |
| C18 | C19 | sing | 1.53Å | 0.00Å | |
| C19 | C20 | sing | 1.53Å | 0.00Å | |
| C20 | C21 | sing | 1.53Å | 0.00Å | |
| C21 | C22 | sing | 1.53Å | 0.00Å | |
| C22 | C23 | sing | 1.53Å | 0.00Å | |
| C6 | O5 | doub | 1.21Å | 0.00Å | |
| C7 | H1 | sing | 1.09Å | 0.00Å | |
| C7 | H20 | sing | 1.09Å | 0.00Å | |
| C8 | H21 | sing | 1.09Å | 0.00Å | |
| C8 | H54 | sing | 1.09Å | 0.00Å | |
| C9 | H55 | sing | 1.09Å | 0.00Å | |
| C9 | H56 | sing | 1.09Å | 0.00Å | |
| C10 | H57 | sing | 1.09Å | 0.00Å | |
| C10 | H58 | sing | 1.09Å | 0.00Å | |
| C11 | H60 | sing | 1.09Å | 0.00Å | |
| C11 | H59 | sing | 1.09Å | 0.00Å | |
| C12 | H62 | sing | 1.09Å | 0.00Å | |
| C12 | H61 | sing | 1.09Å | 0.00Å | |
| C13 | H64 | sing | 1.09Å | 0.00Å | |
| C13 | H63 | sing | 1.09Å | 0.00Å | |
| C14 | H65 | sing | 1.09Å | 0.00Å | |
| C14 | H66 | sing | 1.09Å | 0.00Å | |
| C15 | H68 | sing | 1.09Å | 0.00Å | |
| C15 | H67 | sing | 1.09Å | 0.00Å | |
| C16 | H70 | sing | 1.09Å | 0.00Å | |
| C16 | H69 | sing | 1.09Å | 0.00Å | |
| C17 | H72 | sing | 1.09Å | 0.00Å | |
| C17 | H71 | sing | 1.09Å | 0.00Å | |
| C18 | H74 | sing | 1.09Å | 0.00Å | |
| C18 | H73 | sing | 1.09Å | 0.00Å | |
| C19 | H76 | sing | 1.09Å | 0.00Å | |
| C19 | H75 | sing | 1.09Å | 0.00Å | |
| C20 | H77 | sing | 1.09Å | 0.00Å | |
| C20 | H78 | sing | 1.09Å | 0.00Å | |
| C21 | H80 | sing | 1.09Å | 0.00Å | |
| C21 | H79 | sing | 1.09Å | 0.00Å | |
| C22 | H81 | sing | 1.09Å | 0.00Å | |
| C22 | H82 | sing | 1.09Å | 0.00Å | |
| C23 | H84 | sing | 1.09Å | 0.00Å | |
| C23 | H83 | sing | 1.09Å | 0.00Å | |
| C23 | H85 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C37 | C36 | C35 | 112.7° | 109.4° |
| C36 | C37 | C38 | 112.7° | 109.5° |
| C37 | C36 | H44 | 108.6° | 109.4° |
| C37 | C36 | H45 | 108.6° | 109.4° |
| C36 | C37 | H46 | 108.7° | 109.5° |
| C36 | C37 | H47 | 108.6° | 109.5° |
| C36 | C35 | C34 | 112.7° | 109.4° |
| C36 | C35 | H42 | 108.7° | 109.4° |
| C36 | C35 | H43 | 108.7° | 109.5° |
| C35 | C36 | H44 | 108.7° | 109.5° |
| C35 | C36 | H45 | 108.7° | 109.5° |
| C33 | C34 | C35 | 111.6° | 109.5° |
| C34 | C33 | C32 | 111.8° | 109.5° |
| C34 | C33 | H38 | 108.9° | 109.4° |
| C34 | C33 | H39 | 108.9° | 109.4° |
| C33 | C34 | H40 | 108.9° | 109.5° |
| C33 | C34 | H41 | 108.9° | 109.5° |
| C35 | C34 | H40 | 108.9° | 109.4° |
| C35 | C34 | H41 | 108.9° | 109.5° |
| C34 | C35 | H42 | 108.7° | 109.5° |
| C34 | C35 | H43 | 108.7° | 109.5° |
| C33 | C32 | C31 | 112.5° | 109.5° |
| C33 | C32 | H36 | 108.7° | 109.4° |
| C33 | C32 | H37 | 108.7° | 109.5° |
| C32 | C33 | H38 | 108.9° | 109.5° |
| C32 | C33 | H39 | 108.9° | 109.5° |
| C37 | C38 | C39 | 112.3° | 109.5° |
| C38 | C37 | H46 | 108.6° | 109.4° |
| C38 | C37 | H47 | 108.7° | 109.4° |
| C37 | C38 | H48 | 108.7° | 109.4° |
| C37 | C38 | H49 | 108.8° | 109.5° |
| C32 | C31 | C30 | 111.9° | 109.5° |
| C32 | C31 | H34 | 108.9° | 109.5° |
| C32 | C31 | H35 | 108.9° | 109.5° |
| C31 | C32 | H36 | 108.7° | 109.5° |
| C31 | C32 | H37 | 108.7° | 109.5° |
| C39 | C38 | H48 | 108.8° | 109.5° |
| C39 | C38 | H49 | 108.8° | 109.5° |
| C38 | C39 | H50 | 109.5° | 109.5° |
| C38 | C39 | H51 | 109.5° | 109.4° |
| C38 | C39 | H52 | 109.5° | 109.5° |
| C31 | C30 | C29 | 112.2° | 109.4° |
| C31 | C30 | H32 | 108.8° | 109.4° |
| C31 | C30 | H33 | 108.8° | 109.4° |
| C30 | C31 | H34 | 108.9° | 109.4° |
| C30 | C31 | H35 | 108.8° | 109.4° |
| C30 | C29 | C28 | 112.4° | 109.4° |
| C30 | C29 | H30 | 108.7° | 109.5° |
| C30 | C29 | H31 | 108.7° | 109.5° |
| C29 | C30 | H32 | 108.8° | 109.5° |
| C29 | C30 | H33 | 108.8° | 109.5° |
| C29 | C28 | C27 | 111.7° | 109.5° |
| C29 | C28 | H28 | 108.9° | 109.5° |
| C29 | C28 | H29 | 108.9° | 109.4° |
| C28 | C29 | H30 | 108.7° | 109.4° |
| C28 | C29 | H31 | 108.7° | 109.4° |
| C28 | C27 | C26 | 112.0° | 109.5° |
| C28 | C27 | H26 | 108.8° | 109.5° |
| C28 | C27 | H27 | 108.8° | 109.4° |
| C27 | C28 | H28 | 108.9° | 109.5° |
| C27 | C28 | H29 | 108.9° | 109.4° |
| C27 | C26 | C25 | 112.2° | 109.5° |
| C27 | C26 | H24 | 108.8° | 109.5° |
| C27 | C26 | H25 | 108.8° | 109.4° |
| C26 | C27 | H26 | 108.9° | 109.4° |
| C26 | C27 | H27 | 108.9° | 109.4° |
| C26 | C25 | C24 | 110.8° | 109.5° |
| C26 | C25 | H22 | 109.1° | 109.5° |
| C26 | C25 | H23 | 109.1° | 109.5° |
| C25 | C26 | H24 | 108.8° | 109.5° |
| C25 | C26 | H25 | 108.8° | 109.5° |
| C25 | C24 | O8 | 110.9° | 120.0° |
| C25 | C24 | O9 | 109.2° | 120.0° |
| C24 | C25 | H22 | 109.1° | 109.5° |
| C24 | C25 | H23 | 109.2° | 109.5° |
| O8 | C24 | O9 | 109.1° | 120.0° |
| C24 | O8 | C5 | 113.1° | 117.0° |
| O8 | C5 | C4 | 108.0° | 109.5° |
| O8 | C5 | H18 | 109.8° | 109.5° |
| O8 | C5 | H19 | 109.8° | 109.5° |
| O6 | C4 | C5 | 109.2° | 109.5° |
| O6 | C4 | C3 | 109.2° | 109.5° |
| O6 | C4 | H2 | 111.0° | 109.4° |
| C4 | O6 | C6 | 56.4° | 117.0° |
| C5 | C4 | C3 | 109.3° | 109.5° |
| C5 | C4 | H2 | 109.1° | 109.5° |
| C4 | C5 | H18 | 109.9° | 109.5° |
| C4 | C5 | H19 | 109.9° | 109.4° |
| C4 | C3 | O4 | 108.6° | 109.5° |
| C3 | C4 | H2 | 109.1° | 109.5° |
| C4 | C3 | H3 | 109.7° | 109.5° |
| C4 | C3 | H4 | 109.7° | 109.4° |
| C3 | O4 | P1 | 118.1° | 123.0° |
| O4 | C3 | H3 | 109.7° | 109.5° |
| O4 | C3 | H4 | 109.7° | 109.5° |
| O4 | P1 | O2 | 110.9° | 109.5° |
| O4 | P1 | O3 | 110.1° | 109.5° |
| O4 | P1 | O1 | 108.6° | 109.5° |
| O2 | P1 | O3 | 109.8° | 109.4° |
| O2 | P1 | O1 | 110.4° | 109.5° |
| O3 | P1 | O1 | 106.9° | 109.5° |
| P1 | O3 | H53 | 109.5° | 114.0° |
| P1 | O1 | C2 | 116.4° | 123.0° |
| C1C | N1 | C1B | 114.3° | 109.5° |
| C1C | N1 | C1A | 104.7° | 109.5° |
| C1C | N1 | C1 | 109.7° | 109.4° |
| N1 | C1C | H9 | 109.5° | 109.5° |
| N1 | C1C | H10 | 109.5° | 109.5° |
| N1 | C1C | H11 | 109.5° | 109.5° |
| O1 | C2 | C1 | 107.3° | 109.5° |
| O1 | C2 | H5 | 110.0° | 109.5° |
| O1 | C2 | H6 | 110.0° | 109.4° |
| C2 | C1 | N1 | 115.8° | 109.5° |
| C1 | C2 | H5 | 110.0° | 109.5° |
| C1 | C2 | H6 | 110.0° | 109.5° |
| C2 | C1 | H7 | 107.9° | 109.5° |
| C2 | C1 | H8 | 107.9° | 109.5° |
| C1B | N1 | C1A | 103.9° | 109.5° |
| C1B | N1 | C1 | 108.5° | 109.5° |
| N1 | C1B | H12 | 109.5° | 109.4° |
| N1 | C1B | H13 | 109.5° | 109.4° |
| N1 | C1B | H14 | 109.4° | 109.5° |
| C1A | N1 | C1 | 115.7° | 109.5° |
| N1 | C1A | H15 | 109.5° | 109.5° |
| N1 | C1A | H16 | 109.5° | 109.4° |
| N1 | C1A | H17 | 109.5° | 109.5° |
| N1 | C1 | H7 | 107.8° | 109.4° |
| N1 | C1 | H8 | 107.9° | 109.5° |
| H3 | C3 | H4 | 109.4° | 109.5° |
| H5 | C2 | H6 | 109.5° | 109.5° |
| H7 | C1 | H8 | 109.5° | 109.5° |
| H9 | C1C | H10 | 109.5° | 109.5° |
| H9 | C1C | H11 | 109.5° | 109.4° |
| H10 | C1C | H11 | 109.4° | 109.5° |
| H12 | C1B | H13 | 109.5° | 109.5° |
| H12 | C1B | H14 | 109.5° | 109.5° |
| H13 | C1B | H14 | 109.5° | 109.5° |
| H15 | C1A | H16 | 109.5° | 109.5° |
| H15 | C1A | H17 | 109.5° | 109.5° |
| H16 | C1A | H17 | 109.5° | 109.4° |
| H18 | C5 | H19 | 109.4° | 109.5° |
| H22 | C25 | H23 | 109.5° | 109.5° |
| H24 | C26 | H25 | 109.5° | 109.4° |
| H26 | C27 | H27 | 109.4° | 109.5° |
| H28 | C28 | H29 | 109.5° | 109.5° |
| H30 | C29 | H31 | 109.5° | 109.5° |
| H32 | C30 | H33 | 109.4° | 109.5° |
| H34 | C31 | H35 | 109.5° | 109.5° |
| H36 | C32 | H37 | 109.4° | 109.5° |
| H38 | C33 | H39 | 109.5° | 109.4° |
| H40 | C34 | H41 | 109.5° | 109.5° |
| H42 | C35 | H43 | 109.5° | 109.5° |
| H44 | C36 | H45 | 109.5° | 109.5° |
| H46 | C37 | H47 | 109.5° | 109.5° |
| H48 | C38 | H49 | 109.4° | 109.5° |
| H50 | C39 | H51 | 109.5° | 109.5° |
| H50 | C39 | H52 | 109.5° | 109.5° |
| H51 | C39 | H52 | 109.5° | 109.4° |
| O6 | C6 | C7 | 90.0° | 119.9° |
| O6 | C6 | O5 | 90.0° | 120.0° |
| C6 | C7 | C8 | 90.0° | 109.4° |
| C7 | C6 | O5 | 90.0° | 120.0° |
| C6 | C7 | H1 | 90.0° | 109.5° |
| C6 | C7 | H20 | 90.0° | 109.4° |
| C7 | C8 | C9 | 90.0° | 109.4° |
| C8 | C7 | H1 | 90.0° | 109.5° |
| C8 | C7 | H20 | 90.0° | 109.5° |
| C7 | C8 | H21 | 90.0° | 109.5° |
| C7 | C8 | H54 | 90.0° | 109.5° |
| C8 | C9 | C10 | 90.0° | 109.4° |
| C9 | C8 | H21 | 90.0° | 109.4° |
| C9 | C8 | H54 | 90.0° | 109.4° |
| C8 | C9 | H55 | 90.0° | 109.5° |
| C8 | C9 | H56 | 90.0° | 109.5° |
| C9 | C10 | C11 | 90.0° | 109.5° |
| C10 | C9 | H55 | 90.0° | 109.5° |
| C10 | C9 | H56 | 90.0° | 109.4° |
| C9 | C10 | H57 | 90.0° | 109.5° |
| C9 | C10 | H58 | 90.0° | 109.5° |
| C10 | C11 | C12 | 90.0° | 109.5° |
| C11 | C10 | H57 | 90.0° | 109.4° |
| C11 | C10 | H58 | 90.0° | 109.4° |
| C10 | C11 | H60 | 90.0° | 109.5° |
| C10 | C11 | H59 | 90.0° | 109.4° |
| C11 | C12 | C13 | 90.0° | 109.5° |
| C12 | C11 | H60 | 90.0° | 109.5° |
| C12 | C11 | H59 | 90.0° | 109.5° |
| C11 | C12 | H62 | 90.0° | 109.4° |
| C11 | C12 | H61 | 90.0° | 109.5° |
| C12 | C13 | C14 | 90.0° | 109.5° |
| C13 | C12 | H62 | 90.0° | 109.5° |
| C13 | C12 | H61 | 90.0° | 109.5° |
| C12 | C13 | H64 | 90.0° | 109.5° |
| C12 | C13 | H63 | 90.0° | 109.5° |
| C13 | C14 | C15 | 90.0° | 109.5° |
| C14 | C13 | H64 | 90.0° | 109.5° |
| C14 | C13 | H63 | 90.0° | 109.5° |
| C13 | C14 | H65 | 90.0° | 109.4° |
| C13 | C14 | H66 | 90.0° | 109.5° |
| C14 | C15 | C16 | 90.0° | 109.5° |
| C15 | C14 | H65 | 90.0° | 109.4° |
| C15 | C14 | H66 | 90.0° | 109.5° |
| C14 | C15 | H68 | 90.0° | 109.4° |
| C14 | C15 | H67 | 90.0° | 109.5° |
| C15 | C16 | C17 | 90.0° | 109.5° |
| C16 | C15 | H68 | 90.0° | 109.5° |
| C16 | C15 | H67 | 90.0° | 109.5° |
| C15 | C16 | H70 | 90.0° | 109.4° |
| C15 | C16 | H69 | 90.0° | 109.5° |
| C16 | C17 | C18 | 90.0° | 109.5° |
| C17 | C16 | H70 | 90.0° | 109.5° |
| C17 | C16 | H69 | 90.0° | 109.5° |
| C16 | C17 | H72 | 90.0° | 109.5° |
| C16 | C17 | H71 | 90.0° | 109.5° |
| C17 | C18 | C19 | 90.0° | 109.5° |
| C18 | C17 | H72 | 90.0° | 109.4° |
| C18 | C17 | H71 | 90.0° | 109.5° |
| C17 | C18 | H74 | 90.0° | 109.4° |
| C17 | C18 | H73 | 90.0° | 109.5° |
| C18 | C19 | C20 | 90.0° | 109.4° |
| C19 | C18 | H74 | 90.0° | 109.5° |
| C19 | C18 | H73 | 90.0° | 109.5° |
| C18 | C19 | H76 | 90.0° | 109.5° |
| C18 | C19 | H75 | 90.0° | 109.5° |
| C19 | C20 | C21 | 90.0° | 109.4° |
| C20 | C19 | H76 | 90.0° | 109.5° |
| C20 | C19 | H75 | 90.0° | 109.5° |
| C19 | C20 | H77 | 90.0° | 109.5° |
| C19 | C20 | H78 | 90.0° | 109.5° |
| C20 | C21 | C22 | 90.0° | 109.4° |
| C21 | C20 | H77 | 90.0° | 109.4° |
| C21 | C20 | H78 | 90.0° | 109.5° |
| C20 | C21 | H80 | 90.0° | 109.4° |
| C20 | C21 | H79 | 90.0° | 109.4° |
| C21 | C22 | C23 | 90.0° | 109.4° |
| C22 | C21 | H80 | 90.0° | 109.5° |
| C22 | C21 | H79 | 90.0° | 109.5° |
| C21 | C22 | H81 | 90.0° | 109.5° |
| C21 | C22 | H82 | 90.0° | 109.5° |
| C23 | C22 | H81 | 90.0° | 109.5° |
| C23 | C22 | H82 | 90.0° | 109.4° |
| C22 | C23 | H84 | 90.0° | 109.5° |
| C22 | C23 | H83 | 90.0° | 109.5° |
| C22 | C23 | H85 | 90.0° | 109.4° |
| H1 | C7 | H20 | 90.0° | 109.5° |
| H21 | C8 | H54 | 90.0° | 109.5° |
| H55 | C9 | H56 | 90.0° | 109.5° |
| H57 | C10 | H58 | 90.0° | 109.5° |
| H60 | C11 | H59 | 90.0° | 109.4° |
| H62 | C12 | H61 | 90.0° | 109.5° |
| H64 | C13 | H63 | 90.0° | 109.4° |
| H65 | C14 | H66 | 90.0° | 109.5° |
| H68 | C15 | H67 | 90.0° | 109.4° |
| H70 | C16 | H69 | 90.0° | 109.4° |
| H72 | C17 | H71 | 90.0° | 109.5° |
| H74 | C18 | H73 | 90.0° | 109.4° |
| H76 | C19 | H75 | 90.0° | 109.5° |
| H77 | C20 | H78 | 90.0° | 109.5° |
| H80 | C21 | H79 | 90.0° | 109.5° |
| H81 | C22 | H82 | 90.0° | 109.5° |
| H84 | C23 | H83 | 90.0° | 109.5° |
| H84 | C23 | H85 | 90.0° | 109.5° |
| H83 | C23 | H85 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C37 | C36 | C35 | H44 | 120.5° | 120.0° |
| C37 | C36 | C35 | H45 | 120.5° | 120.0° |
| C37 | C36 | C35 | C34 | 163.1° | 180.0° |
| C36 | C37 | C38 | H46 | 120.5° | 120.0° |
| C36 | C37 | C38 | H47 | 120.5° | 120.0° |
| C36 | C37 | C38 | C39 | 168.6° | 180.0° |
| C37 | C36 | C35 | H42 | 42.7° | 60.0° |
| C37 | C36 | C35 | H43 | 76.4° | 60.0° |
| C37 | C36 | H44 | H45 | 118.5° | 120.0° |
| C36 | C37 | H46 | H47 | 118.5° | 120.1° |
| C36 | C37 | C38 | H48 | 70.9° | 60.0° |
| C36 | C37 | C38 | H49 | 48.2° | 60.0° |
| C36 | C35 | C34 | C33 | 117.2° | 180.0° |
| C36 | C35 | C34 | H42 | 120.5° | 119.9° |
| C36 | C35 | C34 | H43 | 120.5° | 120.0° |
| C35 | C36 | C37 | C38 | 42.7° | 180.0° |
| C36 | C35 | C34 | H40 | 122.4° | 60.0° |
| C36 | C35 | C34 | H41 | 3.1° | 60.0° |
| C36 | C35 | H42 | H43 | 118.5° | 120.0° |
| C35 | C36 | H44 | H45 | 118.5° | 120.1° |
| C35 | C36 | C37 | H46 | 77.8° | 60.1° |
| C35 | C36 | C37 | H47 | 163.2° | 60.0° |
| C33 | C34 | C35 | H40 | 120.3° | 120.0° |
| C33 | C34 | C35 | H41 | 120.3° | 120.0° |
| C34 | C33 | C32 | H38 | 120.3° | 120.0° |
| C34 | C33 | C32 | H39 | 120.4° | 120.0° |
| C34 | C33 | C32 | C31 | 128.5° | 180.0° |
| C34 | C33 | C32 | H36 | 111.1° | 60.0° |
| C34 | C33 | C32 | H37 | 8.0° | 60.0° |
| C34 | C33 | H38 | H39 | 118.9° | 119.9° |
| C33 | C34 | H40 | H41 | 119.0° | 120.0° |
| C33 | C34 | C35 | H42 | 122.3° | 60.0° |
| C33 | C34 | C35 | H43 | 3.2° | 60.0° |
| C35 | C34 | C33 | C32 | 64.5° | 180.0° |
| C35 | C34 | C33 | H38 | 55.9° | 59.9° |
| C35 | C34 | C33 | H39 | 175.2° | 60.0° |
| C35 | C34 | H40 | H41 | 119.0° | 120.0° |
| C34 | C35 | H42 | H43 | 118.5° | 120.0° |
| C34 | C35 | C36 | H44 | 76.4° | 60.0° |
| C34 | C35 | C36 | H45 | 42.7° | 60.0° |
| C33 | C32 | C31 | H36 | 120.5° | 120.0° |
| C33 | C32 | C31 | H37 | 120.5° | 120.0° |
| C33 | C32 | C31 | C30 | 94.9° | 180.0° |
| C33 | C32 | C31 | H34 | 25.4° | 60.0° |
| C33 | C32 | C31 | H35 | 144.7° | 60.0° |
| C33 | C32 | H36 | H37 | 118.6° | 119.9° |
| C32 | C33 | H38 | H39 | 118.9° | 120.1° |
| C32 | C33 | C34 | H40 | 55.9° | 60.0° |
| C32 | C33 | C34 | H41 | 175.2° | 60.0° |
| C37 | C38 | C39 | H48 | 120.4° | 120.0° |
| C37 | C38 | C39 | H49 | 120.5° | 120.0° |
| C38 | C37 | C36 | H44 | 77.8° | 60.0° |
| C38 | C37 | C36 | H45 | 163.2° | 60.0° |
| C38 | C37 | H46 | H47 | 118.5° | 119.9° |
| C37 | C38 | H48 | H49 | 118.7° | 120.0° |
| C37 | C38 | C39 | H50 | 180.0° | 60.0° |
| C37 | C38 | C39 | H51 | 60.0° | 180.0° |
| C37 | C38 | C39 | H52 | 60.0° | 60.0° |
| C32 | C31 | C30 | H34 | 120.4° | 120.0° |
| C32 | C31 | C30 | H35 | 120.4° | 120.0° |
| C32 | C31 | C30 | C29 | 173.5° | 180.0° |
| C32 | C31 | C30 | H32 | 53.1° | 60.0° |
| C32 | C31 | C30 | H33 | 66.1° | 60.0° |
| C32 | C31 | H34 | H35 | 118.9° | 120.0° |
| C31 | C32 | H36 | H37 | 118.6° | 120.1° |
| C31 | C32 | C33 | H38 | 8.1° | 60.0° |
| C31 | C32 | C33 | H39 | 111.1° | 60.0° |
| C39 | C38 | C37 | H46 | 48.2° | 60.0° |
| C39 | C38 | C37 | H47 | 70.9° | 60.0° |
| C39 | C38 | H48 | H49 | 118.7° | 120.0° |
| C38 | C39 | H50 | H51 | 120.0° | 120.0° |
| C38 | C39 | H50 | H52 | 120.0° | 120.0° |
| C38 | C39 | H51 | H52 | 120.0° | 120.0° |
| C31 | C30 | C29 | H32 | 120.4° | 120.0° |
| C31 | C30 | C29 | H33 | 120.4° | 120.0° |
| C31 | C30 | C29 | C28 | 50.9° | 180.0° |
| C31 | C30 | C29 | H30 | 171.3° | 60.0° |
| C31 | C30 | C29 | H31 | 69.6° | 60.0° |
| C31 | C30 | H32 | H33 | 118.8° | 120.0° |
| C30 | C31 | H34 | H35 | 118.9° | 120.0° |
| C30 | C31 | C32 | H36 | 144.6° | 60.0° |
| C30 | C31 | C32 | H37 | 25.5° | 60.0° |
| C30 | C29 | C28 | H30 | 120.4° | 120.0° |
| C30 | C29 | C28 | H31 | 120.4° | 120.0° |
| C30 | C29 | C28 | C27 | 142.4° | 180.0° |
| C30 | C29 | C28 | H28 | 22.0° | 60.0° |
| C30 | C29 | C28 | H29 | 97.3° | 60.0° |
| C30 | C29 | H30 | H31 | 118.7° | 120.1° |
| C29 | C30 | H32 | H33 | 118.8° | 120.1° |
| C29 | C30 | C31 | H34 | 66.1° | 60.0° |
| C29 | C30 | C31 | H35 | 53.1° | 60.0° |
| C29 | C28 | C27 | H28 | 120.3° | 120.1° |
| C29 | C28 | C27 | H29 | 120.4° | 120.0° |
| C29 | C28 | C27 | C26 | 154.5° | 180.0° |
| C29 | C28 | C27 | H26 | 34.1° | 60.0° |
| C29 | C28 | C27 | H27 | 85.1° | 60.0° |
| C29 | C28 | H28 | H29 | 119.0° | 120.0° |
| C28 | C29 | H30 | H31 | 118.6° | 119.9° |
| C28 | C29 | C30 | H32 | 69.6° | 60.0° |
| C28 | C29 | C30 | H33 | 171.3° | 60.0° |
| C28 | C27 | C26 | H26 | 120.4° | 120.1° |
| C28 | C27 | C26 | H27 | 120.4° | 120.0° |
| C28 | C27 | C26 | C25 | 152.6° | 180.0° |
| C28 | C27 | C26 | H24 | 87.0° | 59.9° |
| C28 | C27 | C26 | H25 | 32.2° | 60.0° |
| C28 | C27 | H26 | H27 | 118.8° | 120.0° |
| C27 | C28 | H28 | H29 | 118.9° | 120.0° |
| C27 | C28 | C29 | H30 | 97.2° | 60.0° |
| C27 | C28 | C29 | H31 | 21.9° | 60.0° |
| C27 | C26 | C25 | H24 | 120.4° | 120.0° |
| C27 | C26 | C25 | H25 | 120.4° | 120.0° |
| C27 | C26 | C25 | C24 | 178.1° | 180.0° |
| C27 | C26 | C25 | H22 | 61.8° | 60.0° |
| C27 | C26 | C25 | H23 | 57.9° | 60.0° |
| C27 | C26 | H24 | H25 | 118.8° | 119.9° |
| C26 | C27 | H26 | H27 | 118.9° | 119.9° |
| C26 | C27 | C28 | H28 | 85.2° | 60.0° |
| C26 | C27 | C28 | H29 | 34.2° | 60.0° |
| C26 | C25 | C24 | H22 | 120.2° | 120.0° |
| C26 | C25 | C24 | H23 | 120.2° | 120.0° |
| C26 | C25 | C24 | O8 | 170.2° | 174.7° |
| C26 | C25 | C24 | O9 | 69.5° | 5.3° |
| C26 | C25 | H22 | H23 | 119.4° | 120.1° |
| C25 | C26 | H24 | H25 | 118.7° | 120.0° |
| C25 | C26 | C27 | H26 | 32.2° | 60.0° |
| C25 | C26 | C27 | H27 | 87.0° | 60.0° |
| C25 | C24 | O8 | O9 | 120.3° | 180.0° |
| C25 | C24 | O8 | C5 | 153.9° | 175.0° |
| C24 | C25 | H22 | H23 | 119.4° | 120.0° |
| C24 | C25 | C26 | H24 | 57.7° | 60.0° |
| C24 | C25 | C26 | H25 | 61.5° | 60.0° |
| C24 | O8 | C5 | C4 | 179.2° | 175.3° |
| C24 | O8 | C5 | H18 | 59.4° | 64.7° |
| C24 | O8 | C5 | H19 | 61.0° | 55.4° |
| O8 | C24 | C25 | H22 | 69.6° | 65.2° |
| O8 | C24 | C25 | H23 | 50.0° | 54.7° |
| O9 | C24 | O8 | C5 | 85.8° | 5.1° |
| O9 | C24 | C25 | H22 | 50.6° | 114.7° |
| O9 | C24 | C25 | H23 | 170.3° | 125.3° |
| O8 | C5 | C4 | O6 | 135.2° | 63.9° |
| O8 | C5 | C4 | H18 | 119.8° | 120.0° |
| O8 | C5 | C4 | H19 | 119.8° | 120.0° |
| O8 | C5 | C4 | C3 | 105.4° | 56.0° |
| O8 | C5 | C4 | H2 | 13.8° | 176.1° |
| O8 | C5 | H18 | H19 | 120.7° | 120.0° |
| O6 | C4 | C5 | C3 | 119.4° | 120.0° |
| O6 | C4 | C5 | H2 | 121.4° | 120.0° |
| O6 | C4 | C3 | H2 | 121.5° | 120.0° |
| O6 | C4 | C3 | O4 | 150.7° | 63.9° |
| O6 | C4 | C3 | H3 | 89.4° | 176.1° |
| O6 | C4 | C3 | H4 | 30.8° | 56.1° |
| O6 | C4 | C5 | H18 | 15.5° | 56.1° |
| O6 | C4 | C5 | H19 | 105.0° | 176.0° |
| C4 | O6 | C6 | C7 | 90.0° | 180.0° |
| C4 | O6 | C6 | O5 | 90.0° | 0.0° |
| C5 | C4 | C3 | H2 | 119.2° | 120.1° |
| C5 | C4 | C3 | O4 | 31.4° | 56.1° |
| C5 | C4 | C3 | H3 | 151.2° | 64.0° |
| C5 | C4 | C3 | H4 | 88.5° | 176.1° |
| C4 | C5 | H18 | H19 | 120.7° | 120.0° |
| C5 | C4 | O6 | C6 | 116.8° | 150.0° |
| C4 | C3 | O4 | H3 | 119.9° | 120.0° |
| C4 | C3 | O4 | H4 | 119.9° | 120.0° |
| C4 | C3 | O4 | P1 | 177.8° | 175.0° |
| C4 | C3 | H3 | H4 | 120.4° | 120.0° |
| C3 | C4 | C5 | H18 | 134.9° | 176.0° |
| C3 | C4 | C5 | H19 | 14.4° | 64.0° |
| C3 | C4 | O6 | C6 | 123.8° | 90.0° |
| C3 | O4 | P1 | O2 | 146.1° | 55.1° |
| C3 | O4 | P1 | O3 | 24.5° | 64.9° |
| C3 | O4 | P1 | O1 | 92.3° | 175.1° |
| O4 | C3 | C4 | H2 | 87.8° | 176.1° |
| O4 | C3 | H3 | H4 | 120.4° | 120.0° |
| O4 | P1 | O2 | O3 | 121.9° | 120.0° |
| O4 | P1 | O2 | O1 | 120.5° | 120.0° |
| O4 | P1 | O3 | O1 | 117.8° | 120.0° |
| O4 | P1 | O1 | C2 | 81.5° | 175.1° |
| P1 | O4 | C3 | H3 | 57.9° | 65.0° |
| P1 | O4 | C3 | H4 | 62.3° | 55.0° |
| O4 | P1 | O3 | H53 | 122.4° | 60.0° |
| O2 | P1 | O3 | O1 | 119.8° | 120.0° |
| O2 | P1 | O1 | C2 | 156.6° | 55.1° |
| O2 | P1 | O3 | H53 | 0.0° | 180.0° |
| O3 | P1 | O1 | C2 | 37.3° | 64.8° |
| P1 | O1 | C2 | C1 | 177.0° | 175.0° |
| P1 | O1 | C2 | H5 | 63.3° | 55.0° |
| P1 | O1 | C2 | H6 | 57.4° | 65.0° |
| O1 | P1 | O3 | H53 | 119.8° | 60.0° |
| C1C | N1 | C1 | C2 | 41.2° | 54.9° |
| C1C | N1 | C1B | C1A | 113.5° | 120.0° |
| C1C | N1 | C1B | C1 | 122.8° | 120.0° |
| C1C | N1 | C1A | C1 | 120.9° | 119.9° |
| C1C | N1 | C1 | H7 | 79.7° | 174.8° |
| C1C | N1 | C1 | H8 | 162.1° | 65.1° |
| N1 | C1C | H9 | H10 | 120.0° | 120.1° |
| N1 | C1C | H9 | H11 | 120.0° | 120.0° |
| N1 | C1C | H10 | H11 | 120.0° | 120.1° |
| C1C | N1 | C1B | H12 | 180.0° | 60.0° |
| C1C | N1 | C1B | H13 | 60.0° | 60.0° |
| C1C | N1 | C1B | H14 | 60.0° | 180.0° |
| C1C | N1 | C1A | H15 | 180.0° | 180.0° |
| C1C | N1 | C1A | H16 | 60.0° | 59.9° |
| C1C | N1 | C1A | H17 | 60.0° | 60.0° |
| O1 | C2 | C1 | H5 | 119.7° | 120.0° |
| O1 | C2 | C1 | H6 | 119.7° | 120.0° |
| O1 | C2 | C1 | N1 | 106.3° | 175.1° |
| O1 | C2 | H5 | H6 | 121.0° | 120.0° |
| O1 | C2 | C1 | H7 | 14.6° | 55.2° |
| O1 | C2 | C1 | H8 | 132.8° | 64.8° |
| C2 | C1 | N1 | C1B | 84.3° | 65.1° |
| C2 | C1 | N1 | C1A | 159.4° | 174.8° |
| C2 | C1 | N1 | H7 | 120.9° | 120.0° |
| C2 | C1 | N1 | H8 | 120.9° | 120.0° |
| C1 | C2 | H5 | H6 | 121.0° | 120.0° |
| C2 | C1 | H7 | H8 | 117.1° | 120.0° |
| C1B | N1 | C1A | C1 | 118.8° | 120.0° |
| C1B | N1 | C1 | H7 | 154.8° | 54.8° |
| C1B | N1 | C1 | H8 | 36.6° | 174.8° |
| C1B | N1 | C1C | H9 | 180.0° | 66.4° |
| C1B | N1 | C1C | H10 | 60.0° | 173.6° |
| C1B | N1 | C1C | H11 | 60.0° | 53.5° |
| N1 | C1B | H12 | H13 | 120.0° | 120.0° |
| N1 | C1B | H12 | H14 | 120.0° | 120.0° |
| N1 | C1B | H13 | H14 | 120.0° | 120.0° |
| C1B | N1 | C1A | H15 | 59.8° | 60.0° |
| C1B | N1 | C1A | H16 | 60.2° | 180.0° |
| C1B | N1 | C1A | H17 | 179.8° | 60.0° |
| C1A | N1 | C1 | H7 | 38.5° | 65.2° |
| C1A | N1 | C1 | H8 | 79.7° | 54.8° |
| C1A | N1 | C1C | H9 | 67.0° | 53.7° |
| C1A | N1 | C1C | H10 | 53.1° | 66.3° |
| C1A | N1 | C1C | H11 | 173.0° | 173.6° |
| C1A | N1 | C1B | H12 | 66.5° | 60.0° |
| C1A | N1 | C1B | H13 | 173.5° | 180.0° |
| C1A | N1 | C1B | H14 | 53.5° | 60.0° |
| N1 | C1A | H15 | H16 | 120.0° | 120.0° |
| N1 | C1A | H15 | H17 | 120.0° | 120.0° |
| N1 | C1A | H16 | H17 | 120.0° | 120.0° |
| N1 | C1 | C2 | H5 | 134.0° | 64.9° |
| N1 | C1 | C2 | H6 | 13.4° | 55.2° |
| N1 | C1 | H7 | H8 | 117.2° | 120.0° |
| C1 | N1 | C1C | H9 | 57.9° | 173.7° |
| C1 | N1 | C1C | H10 | 177.9° | 53.6° |
| C1 | N1 | C1C | H11 | 62.1° | 66.5° |
| C1 | N1 | C1B | H12 | 57.2° | 180.0° |
| C1 | N1 | C1B | H13 | 62.8° | 60.0° |
| C1 | N1 | C1B | H14 | 177.2° | 60.0° |
| C1 | N1 | C1A | H15 | 59.1° | 60.0° |
| C1 | N1 | C1A | H16 | 179.1° | 60.0° |
| C1 | N1 | C1A | H17 | 61.0° | 180.0° |
| H2 | C4 | C3 | H3 | 32.1° | 56.1° |
| H2 | C4 | C3 | H4 | 152.3° | 63.9° |
| H2 | C4 | C5 | H18 | 106.0° | 63.9° |
| H2 | C4 | C5 | H19 | 133.6° | 56.1° |
| H2 | C4 | O6 | C6 | 3.4° | 30.0° |
| H5 | C2 | C1 | H7 | 105.1° | 175.2° |
| H5 | C2 | C1 | H8 | 13.1° | 55.2° |
| H6 | C2 | C1 | H7 | 134.2° | 64.8° |
| H6 | C2 | C1 | H8 | 107.6° | 175.2° |
| H9 | C1C | H10 | H11 | 120.0° | 119.9° |
| H12 | C1B | H13 | H14 | 120.0° | 120.0° |
| H15 | C1A | H16 | H17 | 120.0° | 120.0° |
| H22 | C25 | C26 | H24 | 177.8° | 180.0° |
| H22 | C25 | C26 | H25 | 58.7° | 60.0° |
| H23 | C25 | C26 | H24 | 62.5° | 60.0° |
| H23 | C25 | C26 | H25 | 178.3° | NaN° |
| H24 | C26 | C27 | H26 | 152.7° | 180.0° |
| H24 | C26 | C27 | H27 | 33.4° | 60.1° |
| H25 | C26 | C27 | H26 | 88.2° | 60.1° |
| H25 | C26 | C27 | H27 | 152.6° | 180.0° |
| H26 | C27 | C28 | H28 | 154.4° | 180.0° |
| H26 | C27 | C28 | H29 | 86.2° | 60.0° |
| H27 | C27 | C28 | H28 | 35.2° | 60.0° |
| H27 | C27 | C28 | H29 | 154.6° | 180.0° |
| H28 | C28 | C29 | H30 | 142.5° | 180.0° |
| H28 | C28 | C29 | H31 | 98.4° | 60.1° |
| H29 | C28 | C29 | H30 | 23.1° | 60.0° |
| H29 | C28 | C29 | H31 | 142.3° | 180.0° |
| H30 | C29 | C30 | H32 | 50.9° | 180.0° |
| H30 | C29 | C30 | H33 | 68.3° | 59.9° |
| H31 | C29 | C30 | H32 | 170.0° | 60.0° |
| H31 | C29 | C30 | H33 | 50.9° | 180.0° |
| H32 | C30 | C31 | H34 | 173.5° | 180.0° |
| H32 | C30 | C31 | H35 | 67.3° | 60.0° |
| H33 | C30 | C31 | H34 | 54.3° | 60.0° |
| H33 | C30 | C31 | H35 | 173.5° | NaN° |
| H34 | C31 | C32 | H36 | 95.0° | 180.0° |
| H34 | C31 | C32 | H37 | 145.9° | 60.0° |
| H35 | C31 | C32 | H36 | 24.2° | 60.0° |
| H35 | C31 | C32 | H37 | 94.8° | 180.0° |
| H36 | C32 | C33 | H38 | 128.6° | 180.0° |
| H36 | C32 | C33 | H39 | 9.3° | 60.0° |
| H37 | C32 | C33 | H38 | 112.3° | 60.0° |
| H37 | C32 | C33 | H39 | 128.4° | 179.9° |
| H38 | C33 | C34 | H40 | 176.2° | 179.9° |
| H38 | C33 | C34 | H41 | 64.4° | 60.1° |
| H39 | C33 | C34 | H40 | 64.5° | 60.0° |
| H39 | C33 | C34 | H41 | 54.9° | 180.0° |
| H40 | C34 | C35 | H42 | 2.0° | 180.0° |
| H40 | C34 | C35 | H43 | 117.1° | 60.0° |
| H41 | C34 | C35 | H42 | 117.4° | 60.0° |
| H41 | C34 | C35 | H43 | 123.5° | 180.0° |
| H42 | C35 | C36 | H44 | 163.1° | 180.0° |
| H42 | C35 | C36 | H45 | 77.8° | 59.9° |
| H43 | C35 | C36 | H44 | 44.1° | 60.0° |
| H43 | C35 | C36 | H45 | 163.1° | 179.9° |
| H44 | C36 | C37 | H46 | 161.7° | 180.0° |
| H44 | C36 | C37 | H47 | 42.7° | 60.0° |
| H45 | C36 | C37 | H46 | 42.7° | 59.9° |
| H45 | C36 | C37 | H47 | 76.3° | 180.0° |
| H46 | C37 | C38 | H48 | 168.6° | 180.0° |
| H46 | C37 | C38 | H49 | 72.3° | 60.0° |
| H47 | C37 | C38 | H48 | 49.5° | 60.1° |
| H47 | C37 | C38 | H49 | 168.7° | 180.0° |
| H48 | C38 | C39 | H50 | 59.6° | 60.0° |
| H48 | C38 | C39 | H51 | 179.6° | 60.1° |
| H48 | C38 | C39 | H52 | 60.4° | 180.0° |
| H49 | C38 | C39 | H50 | 59.5° | 180.0° |
| H49 | C38 | C39 | H51 | 60.5° | 60.0° |
| H49 | C38 | C39 | H52 | 179.5° | 60.0° |
| H50 | C39 | H51 | H52 | 120.0° | 120.0° |
| O6 | C6 | C7 | O5 | 90.0° | 180.0° |
| O6 | C6 | C7 | C8 | 90.0° | 180.0° |
| O6 | C6 | C7 | H1 | 90.0° | 60.0° |
| O6 | C6 | C7 | H20 | 90.0° | 60.1° |
| C6 | C7 | C8 | H1 | 90.0° | 120.0° |
| C6 | C7 | C8 | H20 | 90.0° | 119.9° |
| C6 | C7 | C8 | C9 | 90.0° | 180.0° |
| C6 | C7 | H1 | H20 | 90.0° | 120.0° |
| C6 | C7 | C8 | H21 | 90.0° | 60.1° |
| C6 | C7 | C8 | H54 | 90.0° | 60.1° |
| C7 | C8 | C9 | H21 | 90.0° | 120.0° |
| C7 | C8 | C9 | H54 | 90.0° | 120.0° |
| C7 | C8 | C9 | C10 | 90.0° | 180.0° |
| C8 | C7 | C6 | O5 | 90.0° | 0.0° |
| C8 | C7 | H1 | H20 | 90.0° | 120.0° |
| C7 | C8 | H21 | H54 | 90.0° | 120.1° |
| C7 | C8 | C9 | H55 | 90.0° | 60.0° |
| C7 | C8 | C9 | H56 | 90.0° | 60.1° |
| C8 | C9 | C10 | H55 | 90.0° | 120.0° |
| C8 | C9 | C10 | H56 | 90.0° | 119.9° |
| C8 | C9 | C10 | C11 | 90.0° | 180.0° |
| C9 | C8 | C7 | H1 | 90.0° | 60.0° |
| C9 | C8 | C7 | H20 | 90.0° | 60.1° |
| C9 | C8 | H21 | H54 | 90.0° | 120.0° |
| C8 | C9 | H55 | H56 | 90.0° | 120.0° |
| C8 | C9 | C10 | H57 | 90.0° | 60.0° |
| C8 | C9 | C10 | H58 | 90.0° | 60.1° |
| C9 | C10 | C11 | H57 | 90.0° | 120.1° |
| C9 | C10 | C11 | H58 | 90.0° | 120.0° |
| C9 | C10 | C11 | C12 | 90.0° | 179.9° |
| C10 | C9 | C8 | H21 | 90.0° | 60.0° |
| C10 | C9 | C8 | H54 | 90.0° | 60.1° |
| C10 | C9 | H55 | H56 | 90.0° | 120.0° |
| C9 | C10 | H57 | H58 | 90.0° | 120.1° |
| C9 | C10 | C11 | H60 | 90.0° | 59.9° |
| C9 | C10 | C11 | H59 | 90.0° | 60.0° |
| C10 | C11 | C12 | H60 | 90.0° | 120.0° |
| C10 | C11 | C12 | H59 | 90.0° | 120.0° |
| C10 | C11 | C12 | C13 | 90.0° | 180.0° |
| C11 | C10 | C9 | H55 | 90.0° | 60.0° |
| C11 | C10 | C9 | H56 | 90.0° | 60.1° |
| C11 | C10 | H57 | H58 | 90.0° | 119.9° |
| C10 | C11 | H60 | H59 | 90.0° | 119.9° |
| C10 | C11 | C12 | H62 | 90.0° | 60.0° |
| C10 | C11 | C12 | H61 | 90.0° | 60.0° |
| C11 | C12 | C13 | H62 | 90.0° | 120.0° |
| C11 | C12 | C13 | H61 | 90.0° | 120.0° |
| C11 | C12 | C13 | C14 | 90.0° | NaN° |
| C12 | C11 | C10 | H57 | 90.0° | 60.0° |
| C12 | C11 | C10 | H58 | 90.0° | 60.0° |
| C12 | C11 | H60 | H59 | 90.0° | 120.0° |
| C11 | C12 | H62 | H61 | 90.0° | 120.0° |
| C11 | C12 | C13 | H64 | 90.0° | 60.0° |
| C11 | C12 | C13 | H63 | 90.0° | 60.0° |
| C12 | C13 | C14 | H64 | 90.0° | 120.0° |
| C12 | C13 | C14 | H63 | 90.0° | 120.0° |
| C12 | C13 | C14 | C15 | 90.0° | 180.0° |
| C13 | C12 | C11 | H60 | 90.0° | 60.0° |
| C13 | C12 | C11 | H59 | 90.0° | 60.0° |
| C13 | C12 | H62 | H61 | 90.0° | 120.0° |
| C12 | C13 | H64 | H63 | 90.0° | 120.0° |
| C12 | C13 | C14 | H65 | 90.0° | 60.0° |
| C12 | C13 | C14 | H66 | 90.0° | 60.0° |
| C13 | C14 | C15 | H65 | 90.0° | 119.9° |
| C13 | C14 | C15 | H66 | 90.0° | 120.0° |
| C13 | C14 | C15 | C16 | 90.0° | 180.0° |
| C14 | C13 | C12 | H62 | 90.0° | 60.0° |
| C14 | C13 | C12 | H61 | 90.0° | 60.0° |
| C14 | C13 | H64 | H63 | 90.0° | 120.0° |
| C13 | C14 | H65 | H66 | 90.0° | 120.0° |
| C13 | C14 | C15 | H68 | 90.0° | 60.0° |
| C13 | C14 | C15 | H67 | 90.0° | 60.0° |
| C14 | C15 | C16 | H68 | 90.0° | 120.0° |
| C14 | C15 | C16 | H67 | 90.0° | 120.1° |
| C14 | C15 | C16 | C17 | 90.0° | 180.0° |
| C15 | C14 | C13 | H64 | 90.0° | 60.0° |
| C15 | C14 | C13 | H63 | 90.0° | 59.9° |
| C15 | C14 | H65 | H66 | 90.0° | 120.1° |
| C14 | C15 | H68 | H67 | 90.0° | 120.0° |
| C14 | C15 | C16 | H70 | 90.0° | 60.0° |
| C14 | C15 | C16 | H69 | 90.0° | 59.9° |
| C15 | C16 | C17 | H70 | 90.0° | 120.0° |
| C15 | C16 | C17 | H69 | 90.0° | 120.0° |
| C15 | C16 | C17 | C18 | 90.0° | 180.0° |
| C16 | C15 | C14 | H65 | 90.0° | 60.1° |
| C16 | C15 | C14 | H66 | 90.0° | 60.0° |
| C16 | C15 | H68 | H67 | 90.0° | 120.0° |
| C15 | C16 | H70 | H69 | 90.0° | 120.0° |
| C15 | C16 | C17 | H72 | 90.0° | 60.0° |
| C15 | C16 | C17 | H71 | 90.0° | 60.0° |
| C16 | C17 | C18 | H72 | 90.0° | 120.0° |
| C16 | C17 | C18 | H71 | 90.0° | 120.0° |
| C16 | C17 | C18 | C19 | 90.0° | 180.0° |
| C17 | C16 | C15 | H68 | 90.0° | 60.0° |
| C17 | C16 | C15 | H67 | 90.0° | 60.0° |
| C17 | C16 | H70 | H69 | 90.0° | 120.0° |
| C16 | C17 | H72 | H71 | 90.0° | 120.0° |
| C16 | C17 | C18 | H74 | 90.0° | 60.0° |
| C16 | C17 | C18 | H73 | 90.0° | 60.0° |
| C17 | C18 | C19 | H74 | 90.0° | 120.0° |
| C17 | C18 | C19 | H73 | 90.0° | 120.0° |
| C17 | C18 | C19 | C20 | 90.0° | 180.0° |
| C18 | C17 | C16 | H70 | 90.0° | 60.0° |
| C18 | C17 | C16 | H69 | 90.0° | 60.0° |
| C18 | C17 | H72 | H71 | 90.0° | 120.0° |
| C17 | C18 | H74 | H73 | 90.0° | 120.0° |
| C17 | C18 | C19 | H76 | 90.0° | 60.0° |
| C17 | C18 | C19 | H75 | 90.0° | 60.0° |
| C18 | C19 | C20 | H76 | 90.0° | 120.0° |
| C18 | C19 | C20 | H75 | 90.0° | 120.0° |
| C18 | C19 | C20 | C21 | 90.0° | 180.0° |
| C19 | C18 | C17 | H72 | 90.0° | 60.0° |
| C19 | C18 | C17 | H71 | 90.0° | 60.0° |
| C19 | C18 | H74 | H73 | 90.0° | 120.0° |
| C18 | C19 | H76 | H75 | 90.0° | 120.0° |
| C18 | C19 | C20 | H77 | 90.0° | 60.1° |
| C18 | C19 | C20 | H78 | 90.0° | 60.0° |
| C19 | C20 | C21 | H77 | 90.0° | 120.0° |
| C19 | C20 | C21 | H78 | 90.0° | 120.0° |
| C19 | C20 | C21 | C22 | 90.0° | 180.0° |
| C20 | C19 | C18 | H74 | 90.0° | 60.0° |
| C20 | C19 | C18 | H73 | 90.0° | 60.0° |
| C20 | C19 | H76 | H75 | 90.0° | 120.0° |
| C19 | C20 | H77 | H78 | 90.0° | 120.1° |
| C19 | C20 | C21 | H80 | 90.0° | 60.0° |
| C19 | C20 | C21 | H79 | 90.0° | 60.0° |
| C20 | C21 | C22 | H80 | 90.0° | 119.9° |
| C20 | C21 | C22 | H79 | 90.0° | 120.0° |
| C20 | C21 | C22 | C23 | 90.0° | 180.0° |
| C21 | C20 | C19 | H76 | 90.0° | 60.0° |
| C21 | C20 | C19 | H75 | 90.0° | 60.0° |
| C21 | C20 | H77 | H78 | 90.0° | 120.0° |
| C20 | C21 | H80 | H79 | 90.0° | 119.9° |
| C20 | C21 | C22 | H81 | 90.0° | 60.0° |
| C20 | C21 | C22 | H82 | 90.0° | 60.0° |
| C21 | C22 | C23 | H81 | 90.0° | 120.0° |
| C21 | C22 | C23 | H82 | 90.0° | 120.0° |
| C22 | C21 | C20 | H77 | 90.0° | 60.0° |
| C22 | C21 | C20 | H78 | 90.0° | 60.0° |
| C22 | C21 | H80 | H79 | 90.0° | 120.1° |
| C21 | C22 | H81 | H82 | 90.0° | 120.1° |
| C21 | C22 | C23 | H84 | 90.0° | 180.0° |
| C21 | C22 | C23 | H83 | 90.0° | 60.0° |
| C21 | C22 | C23 | H85 | 90.0° | 60.0° |
| C23 | C22 | C21 | H80 | 90.0° | 60.1° |
| C23 | C22 | C21 | H79 | 90.0° | 60.1° |
| C23 | C22 | H81 | H82 | 90.0° | 119.9° |
| C22 | C23 | H84 | H83 | 90.0° | 120.0° |
| C22 | C23 | H84 | H85 | 90.0° | 119.9° |
| C22 | C23 | H83 | H85 | 90.0° | 119.9° |
| O5 | C6 | C7 | H1 | 90.0° | 119.9° |
| O5 | C6 | C7 | H20 | 90.0° | 120.0° |
| H1 | C7 | C8 | H21 | 90.0° | 179.9° |
| H1 | C7 | C8 | H54 | 90.0° | 59.9° |
| H20 | C7 | C8 | H21 | 90.0° | 59.9° |
| H20 | C7 | C8 | H54 | 90.0° | NaN° |
| H21 | C8 | C9 | H55 | 90.0° | 180.0° |
| H21 | C8 | C9 | H56 | 90.0° | 59.9° |
| H54 | C8 | C9 | H55 | 90.0° | 59.9° |
| H54 | C8 | C9 | H56 | 90.0° | 180.0° |
| H55 | C9 | C10 | H57 | 90.0° | 180.0° |
| H55 | C9 | C10 | H58 | 90.0° | 59.9° |
| H56 | C9 | C10 | H57 | 90.0° | 59.9° |
| H56 | C9 | C10 | H58 | 90.0° | 180.0° |
| H57 | C10 | C11 | H60 | 90.0° | 180.0° |
| H57 | C10 | C11 | H59 | 90.0° | 60.1° |
| H58 | C10 | C11 | H60 | 90.0° | 60.1° |
| H58 | C10 | C11 | H59 | 90.0° | 180.0° |
| H60 | C11 | C12 | H62 | 90.0° | 180.0° |
| H60 | C11 | C12 | H61 | 90.0° | 60.0° |
| H59 | C11 | C12 | H62 | 90.0° | 60.0° |
| H59 | C11 | C12 | H61 | 90.0° | 180.0° |
| H62 | C12 | C13 | H64 | 90.0° | 179.9° |
| H62 | C12 | C13 | H63 | 90.0° | 60.0° |
| H61 | C12 | C13 | H64 | 90.0° | 60.0° |
| H61 | C12 | C13 | H63 | 90.0° | NaN° |
| H64 | C13 | C14 | H65 | 90.0° | 180.0° |
| H64 | C13 | C14 | H66 | 90.0° | 60.0° |
| H63 | C13 | C14 | H65 | 90.0° | 60.0° |
| H63 | C13 | C14 | H66 | 90.0° | 180.0° |
| H65 | C14 | C15 | H68 | 90.0° | 179.9° |
| H65 | C14 | C15 | H67 | 90.0° | 60.0° |
| H66 | C14 | C15 | H68 | 90.0° | 60.0° |
| H66 | C14 | C15 | H67 | 90.0° | 180.0° |
| H68 | C15 | C16 | H70 | 90.0° | 180.0° |
| H68 | C15 | C16 | H69 | 90.0° | 60.0° |
| H67 | C15 | C16 | H70 | 90.0° | 60.0° |
| H67 | C15 | C16 | H69 | 90.0° | NaN° |
| H70 | C16 | C17 | H72 | 90.0° | 180.0° |
| H70 | C16 | C17 | H71 | 90.0° | 60.0° |
| H69 | C16 | C17 | H72 | 90.0° | 60.0° |
| H69 | C16 | C17 | H71 | 90.0° | 180.0° |
| H72 | C17 | C18 | H74 | 90.0° | 180.0° |
| H72 | C17 | C18 | H73 | 90.0° | 60.0° |
| H71 | C17 | C18 | H74 | 90.0° | 60.0° |
| H71 | C17 | C18 | H73 | 90.0° | 180.0° |
| H74 | C18 | C19 | H76 | 90.0° | 180.0° |
| H74 | C18 | C19 | H75 | 90.0° | 60.0° |
| H73 | C18 | C19 | H76 | 90.0° | 60.0° |
| H73 | C18 | C19 | H75 | 90.0° | 180.0° |
| H76 | C19 | C20 | H77 | 90.0° | 179.9° |
| H76 | C19 | C20 | H78 | 90.0° | 59.9° |
| H75 | C19 | C20 | H77 | 90.0° | 59.9° |
| H75 | C19 | C20 | H78 | 90.0° | 180.0° |
| H77 | C20 | C21 | H80 | 90.0° | NaN° |
| H77 | C20 | C21 | H79 | 90.0° | 60.0° |
| H78 | C20 | C21 | H80 | 90.0° | 60.0° |
| H78 | C20 | C21 | H79 | 90.0° | 180.0° |
| H80 | C21 | C22 | H81 | 90.0° | 180.0° |
| H80 | C21 | C22 | H82 | 90.0° | 59.9° |
| H79 | C21 | C22 | H81 | 90.0° | 59.9° |
| H79 | C21 | C22 | H82 | 90.0° | NaN° |
| H81 | C22 | C23 | H84 | 90.0° | 59.9° |
| H81 | C22 | C23 | H83 | 90.0° | 180.0° |
| H81 | C22 | C23 | H85 | 90.0° | 60.0° |
| H82 | C22 | C23 | H84 | 90.0° | 60.0° |
| H82 | C22 | C23 | H83 | 90.0° | 60.0° |
| H82 | C22 | C23 | H85 | 90.0° | 180.0° |
| H84 | C23 | H83 | H85 | 90.0° | 120.1° |
