NJ5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | P1 | doub | 1.48Å | 1.50Å | |
| O18 | C35 | sing | 1.43Å | 1.42Å | |
| O17 | C34 | sing | 1.43Å | 1.43Å | |
| O5 | P1 | sing | 1.61Å | 1.49Å | |
| P1 | O3 | sing | 1.61Å | 1.61Å | |
| P1 | O6 | sing | 1.61Å | 1.58Å | |
| C35 | C34 | sing | 1.53Å | 1.53Å | |
| C35 | C21 | sing | 1.53Å | 1.53Å | |
| O13 | C30 | sing | 1.43Å | 1.41Å | |
| O3 | C22 | sing | 1.43Å | 1.43Å | |
| C19 | C18 | sing | 1.53Å | 1.51Å | |
| C19 | C20 | sing | 1.51Å | 1.52Å | |
| N3 | C21 | sing | 1.47Å | 1.46Å | |
| N3 | C20 | sing | 1.35Å | 1.34Å | |
| C30 | C31 | sing | 1.55Å | 1.52Å | |
| C30 | C25 | sing | 1.55Å | 1.52Å | |
| C27 | C26 | doub | 1.35Å | 1.34Å | |
| C27 | C28 | sing | 1.42Å | 1.43Å | |
| C34 | C32 | sing | 1.53Å | 1.53Å | |
| C26 | N4 | sing | 1.37Å | 1.37Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| O9 | C23 | sing | 1.43Å | 1.44Å | |
| O9 | P2 | sing | 1.61Å | 1.61Å | |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C20 | O2 | doub | 1.21Å | 1.23Å | |
| O11 | C28 | doub | 1.22Å | 1.23Å | |
| O6 | P2 | sing | 1.61Å | 1.57Å | |
| C28 | N5 | sing | 1.35Å | 1.38Å | |
| C31 | O14 | sing | 1.43Å | 1.43Å | |
| C31 | C24 | sing | 1.54Å | 1.53Å | |
| C32 | O15 | sing | 1.43Å | 1.45Å | |
| C32 | C33 | sing | 1.53Å | 1.51Å | |
| C22 | O15 | sing | 1.43Å | 1.42Å | |
| C23 | C24 | sing | 1.53Å | 1.51Å | |
| N4 | C25 | sing | 1.46Å | 1.48Å | |
| N4 | C29 | sing | 1.35Å | 1.38Å | |
| O7 | P2 | doub | 1.48Å | 1.50Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| P2 | O8 | sing | 1.61Å | 1.47Å | |
| C25 | O10 | sing | 1.44Å | 1.41Å | |
| N5 | C29 | sing | 1.35Å | 1.37Å | |
| C24 | O10 | sing | 1.44Å | 1.44Å | |
| C33 | O16 | sing | 1.43Å | 1.42Å | |
| C29 | O12 | doub | 1.22Å | 1.22Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C15 | N2 | sing | 1.47Å | 1.46Å | |
| N2 | C14 | sing | 1.35Å | 1.34Å | |
| C14 | O1 | doub | 1.21Å | 1.22Å | |
| C14 | C13 | sing | 1.51Å | 1.54Å | |
| C13 | C12 | sing | 1.53Å | 1.56Å | |
| C12 | C11 | sing | 1.53Å | 1.50Å | |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| N2 | H15 | sing | 0.97Å | 1.00Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| N3 | H26 | sing | 0.97Å | 1.00Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| C22 | H28 | sing | 1.09Å | 1.10Å | |
| O5 | H4 | sing | 0.97Å | 0.95Å | |
| O8 | H5 | sing | 0.97Å | 0.95Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C24 | H31 | sing | 1.09Å | 1.10Å | |
| C25 | H32 | sing | 1.09Å | 1.10Å | |
| C26 | H33 | sing | 1.08Å | 1.08Å | |
| C27 | H34 | sing | 1.08Å | 1.08Å | |
| N5 | H35 | sing | 0.97Å | 1.00Å | |
| C30 | H36 | sing | 1.09Å | 1.10Å | |
| O13 | H37 | sing | 0.97Å | 0.95Å | |
| C31 | H38 | sing | 1.09Å | 1.10Å | |
| O14 | H39 | sing | 0.97Å | 0.95Å | |
| C32 | H40 | sing | 1.09Å | 1.10Å | |
| C33 | H41 | sing | 1.09Å | 1.10Å | |
| C33 | H42 | sing | 1.09Å | 1.10Å | |
| O16 | H43 | sing | 0.97Å | 0.95Å | |
| C34 | H44 | sing | 1.09Å | 1.10Å | |
| O17 | H45 | sing | 0.97Å | 0.95Å | |
| C35 | H46 | sing | 1.09Å | 1.10Å | |
| O18 | H47 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | P1 | O5 | 118.6° | 109.5° |
| O4 | P1 | O3 | 112.4° | 109.5° |
| O4 | P1 | O6 | 113.5° | 109.5° |
| O18 | C35 | C34 | 112.3° | 109.5° |
| O18 | C35 | C21 | 110.8° | 109.6° |
| O18 | C35 | H46 | 108.4° | 109.7° |
| C35 | O18 | H47 | 109.5° | 114.0° |
| O17 | C34 | C35 | 111.6° | 109.6° |
| O17 | C34 | C32 | 108.9° | 109.5° |
| O17 | C34 | H44 | 110.0° | 109.5° |
| C34 | O17 | H45 | 109.5° | 114.0° |
| O5 | P1 | O3 | 107.7° | 109.5° |
| O5 | P1 | O6 | 97.9° | 109.5° |
| P1 | O5 | H4 | 109.5° | 114.0° |
| O3 | P1 | O6 | 105.0° | 109.4° |
| P1 | O3 | C22 | 119.6° | 123.0° |
| P1 | O6 | P2 | 130.2° | 134.0° |
| C34 | C35 | C21 | 111.0° | 109.0° |
| C35 | C34 | C32 | 109.1° | 109.2° |
| C35 | C34 | H44 | 108.6° | 109.5° |
| C34 | C35 | H46 | 107.1° | 109.5° |
| C35 | C21 | N3 | 114.2° | 109.5° |
| C35 | C21 | C22 | 107.7° | 109.2° |
| C35 | C21 | H27 | 106.5° | 109.6° |
| C21 | C35 | H46 | 107.0° | 109.5° |
| O13 | C30 | C31 | 111.3° | 110.9° |
| O13 | C30 | C25 | 109.8° | 110.9° |
| O13 | C30 | H36 | 113.0° | 110.8° |
| C30 | O13 | H37 | 109.5° | 114.1° |
| O3 | C22 | C21 | 109.0° | 109.4° |
| O3 | C22 | O15 | 112.8° | 109.5° |
| O3 | C22 | H28 | 110.2° | 109.5° |
| C18 | C19 | C20 | 116.1° | 109.5° |
| C19 | C18 | C17 | 114.1° | 109.5° |
| C19 | C18 | H23 | 108.3° | 109.5° |
| C19 | C18 | H22 | 108.3° | 109.5° |
| C18 | C19 | H24 | 107.8° | 109.5° |
| C18 | C19 | H25 | 107.8° | 109.5° |
| C19 | C20 | N3 | 114.9° | 120.0° |
| C19 | C20 | O2 | 122.5° | 120.0° |
| C20 | C19 | H24 | 107.8° | 109.5° |
| C20 | C19 | H25 | 107.8° | 109.5° |
| C21 | N3 | C20 | 124.9° | 120.0° |
| N3 | C21 | C22 | 114.2° | 109.5° |
| C21 | N3 | H26 | 117.6° | 120.0° |
| N3 | C21 | H27 | 107.4° | 109.5° |
| N3 | C20 | O2 | 122.6° | 120.0° |
| C20 | N3 | H26 | 117.5° | 120.0° |
| C31 | C30 | C25 | 99.6° | 102.1° |
| C30 | C31 | O14 | 109.7° | 110.5° |
| C30 | C31 | C24 | 100.9° | 104.2° |
| C31 | C30 | H36 | 111.2° | 110.9° |
| C30 | C31 | H38 | 110.4° | 110.5° |
| C30 | C25 | N4 | 114.2° | 110.7° |
| C30 | C25 | O10 | 106.3° | 103.5° |
| C30 | C25 | H32 | 108.6° | 110.6° |
| C25 | C30 | H36 | 111.2° | 110.9° |
| C26 | C27 | C28 | 119.6° | 119.1° |
| C27 | C26 | N4 | 122.4° | 119.7° |
| C27 | C26 | H33 | 118.8° | 120.1° |
| C26 | C27 | H34 | 120.2° | 120.5° |
| C27 | C28 | O11 | 125.5° | 120.3° |
| C27 | C28 | N5 | 114.9° | 119.4° |
| C28 | C27 | H34 | 120.2° | 120.4° |
| C34 | C32 | O15 | 110.3° | 109.4° |
| C34 | C32 | C33 | 114.3° | 109.5° |
| C34 | C32 | H40 | 108.0° | 109.5° |
| C32 | C34 | H44 | 108.6° | 109.5° |
| C26 | N4 | C25 | 121.2° | 119.8° |
| C26 | N4 | C29 | 121.3° | 120.6° |
| N4 | C26 | H33 | 118.8° | 120.1° |
| C21 | C22 | O15 | 105.7° | 109.4° |
| C22 | C21 | H27 | 106.4° | 109.5° |
| C21 | C22 | H28 | 108.8° | 109.5° |
| C23 | O9 | P2 | 118.9° | 123.0° |
| O9 | C23 | C24 | 110.4° | 109.5° |
| O9 | C23 | H29 | 109.2° | 109.5° |
| O9 | C23 | H30 | 109.2° | 109.5° |
| O9 | P2 | O6 | 101.8° | 109.5° |
| O9 | P2 | O7 | 108.3° | 109.5° |
| O9 | P2 | O8 | 111.7° | 109.5° |
| C18 | C17 | C16 | 114.6° | 109.5° |
| C18 | C17 | H21 | 108.2° | 109.4° |
| C18 | C17 | H20 | 108.2° | 109.5° |
| C17 | C18 | H23 | 108.3° | 109.5° |
| C17 | C18 | H22 | 108.3° | 109.5° |
| O11 | C28 | N5 | 119.5° | 120.3° |
| O6 | P2 | O7 | 106.8° | 109.5° |
| O6 | P2 | O8 | 103.4° | 109.4° |
| C28 | N5 | C29 | 126.6° | 120.3° |
| C28 | N5 | H35 | 116.7° | 119.8° |
| O14 | C31 | C24 | 113.3° | 110.5° |
| O14 | C31 | H38 | 111.8° | 110.5° |
| C31 | O14 | H39 | 109.5° | 114.0° |
| C31 | C24 | C23 | 116.6° | 109.9° |
| C31 | C24 | O10 | 104.6° | 107.3° |
| C31 | C24 | H31 | 108.7° | 110.0° |
| C24 | C31 | H38 | 110.2° | 110.6° |
| O15 | C32 | C33 | 106.8° | 109.5° |
| C32 | O15 | C22 | 112.1° | 114.1° |
| O15 | C32 | H40 | 109.0° | 109.4° |
| C32 | C33 | O16 | 113.2° | 109.5° |
| C33 | C32 | H40 | 108.3° | 109.5° |
| C32 | C33 | H41 | 108.5° | 109.5° |
| C32 | C33 | H42 | 108.5° | 109.5° |
| O15 | C22 | H28 | 110.3° | 109.5° |
| C23 | C24 | O10 | 107.9° | 109.9° |
| C24 | C23 | H29 | 109.2° | 109.4° |
| C24 | C23 | H30 | 109.2° | 109.5° |
| C23 | C24 | H31 | 109.0° | 109.9° |
| C25 | N4 | C29 | 117.4° | 119.7° |
| N4 | C25 | O10 | 108.3° | 110.6° |
| N4 | C25 | H32 | 109.2° | 110.6° |
| N4 | C29 | N5 | 115.0° | 120.9° |
| N4 | C29 | O12 | 123.0° | 119.5° |
| O7 | P2 | O8 | 122.6° | 109.5° |
| C17 | C16 | C15 | 115.8° | 109.4° |
| C17 | C16 | H19 | 107.8° | 109.5° |
| C17 | C16 | H18 | 107.9° | 109.5° |
| C16 | C17 | H21 | 108.2° | 109.5° |
| C16 | C17 | H20 | 108.2° | 109.5° |
| P2 | O8 | H5 | 109.5° | 114.0° |
| C25 | O10 | C24 | 109.6° | 107.0° |
| O10 | C25 | H32 | 110.2° | 110.6° |
| N5 | C29 | O12 | 121.9° | 119.5° |
| C29 | N5 | H35 | 116.7° | 119.9° |
| O10 | C24 | H31 | 109.9° | 109.9° |
| O16 | C33 | H41 | 108.5° | 109.5° |
| O16 | C33 | H42 | 108.5° | 109.4° |
| C33 | O16 | H43 | 109.5° | 114.0° |
| C16 | C15 | N2 | 115.3° | 109.4° |
| C16 | C15 | H17 | 108.0° | 109.5° |
| C16 | C15 | H16 | 108.0° | 109.5° |
| C15 | C16 | H19 | 107.9° | 109.5° |
| C15 | C16 | H18 | 107.8° | 109.5° |
| C15 | N2 | C14 | 123.4° | 120.0° |
| C15 | N2 | H15 | 118.3° | 120.0° |
| N2 | C15 | H17 | 108.0° | 109.5° |
| N2 | C15 | H16 | 108.0° | 109.4° |
| N2 | C14 | O1 | 119.1° | 120.0° |
| N2 | C14 | C13 | 119.3° | 119.9° |
| C14 | N2 | H15 | 118.3° | 120.0° |
| O1 | C14 | C13 | 121.6° | 120.1° |
| C14 | C13 | C12 | 115.5° | 109.4° |
| C14 | C13 | H14 | 108.0° | 109.5° |
| C14 | C13 | H13 | 107.9° | 109.5° |
| C13 | C12 | C11 | 116.9° | 109.5° |
| C13 | C12 | H12 | 107.6° | 109.5° |
| C13 | C12 | H11 | 107.6° | 109.5° |
| C12 | C13 | H14 | 107.9° | 109.4° |
| C12 | C13 | H13 | 107.9° | 109.5° |
| C12 | C11 | H1 | 109.5° | 109.5° |
| C12 | C11 | H2 | 109.5° | 109.5° |
| C12 | C11 | H3 | 109.5° | 109.4° |
| C11 | C12 | H12 | 107.6° | 109.5° |
| C11 | C12 | H11 | 107.6° | 109.5° |
| H1 | C11 | H2 | 109.5° | 109.5° |
| H1 | C11 | H3 | 109.5° | 109.5° |
| H2 | C11 | H3 | 109.5° | 109.4° |
| H12 | C12 | H11 | 109.5° | 109.5° |
| H14 | C13 | H13 | 109.5° | 109.5° |
| H17 | C15 | H16 | 109.5° | 109.6° |
| H19 | C16 | H18 | 109.5° | 109.5° |
| H21 | C17 | H20 | 109.5° | 109.5° |
| H23 | C18 | H22 | 109.5° | 109.5° |
| H24 | C19 | H25 | 109.5° | 109.5° |
| H29 | C23 | H30 | 109.5° | 109.4° |
| H41 | C33 | H42 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | P1 | O5 | O3 | 129.0° | 120.0° |
| O4 | P1 | O5 | O6 | 122.4° | 120.0° |
| O4 | P1 | O3 | O6 | 123.9° | 120.0° |
| O4 | P1 | O3 | C22 | 174.1° | 55.0° |
| O4 | P1 | O6 | P2 | 49.5° | 40.0° |
| O4 | P1 | O5 | H4 | 0.0° | 180.0° |
| O18 | C35 | C34 | O17 | 63.3° | 63.2° |
| O18 | C35 | C34 | C21 | 124.6° | 119.9° |
| O18 | C35 | C34 | H46 | 118.9° | 120.3° |
| O18 | C35 | C21 | H46 | 118.0° | 120.3° |
| O18 | C35 | C21 | N3 | 48.3° | 63.3° |
| O18 | C35 | C34 | C32 | 176.3° | 176.8° |
| O18 | C35 | C21 | C22 | 176.2° | 176.8° |
| O18 | C35 | C21 | H27 | 69.9° | 56.9° |
| O18 | C35 | C34 | H44 | 58.1° | 56.9° |
| O17 | C34 | C35 | C32 | 120.4° | 120.0° |
| O17 | C34 | C35 | H44 | 121.4° | 120.1° |
| O17 | C34 | C35 | C21 | 172.1° | 176.9° |
| O17 | C34 | C32 | H44 | 119.7° | 120.1° |
| O17 | C34 | C32 | O15 | 174.3° | 177.6° |
| O17 | C34 | C32 | C33 | 65.4° | 62.4° |
| O17 | C34 | C32 | H40 | 55.2° | 57.6° |
| O17 | C34 | C35 | H46 | 55.6° | 57.1° |
| O5 | P1 | O3 | O6 | 103.6° | 120.0° |
| O5 | P1 | O3 | C22 | 53.4° | 65.0° |
| O5 | P1 | O6 | P2 | 175.5° | 80.0° |
| P1 | O3 | C22 | C21 | 111.2° | 150.0° |
| O3 | P1 | O6 | P2 | 73.6° | 160.0° |
| P1 | O3 | C22 | O15 | 131.8° | 90.1° |
| P1 | O3 | C22 | H28 | 8.0° | 30.0° |
| O3 | P1 | O5 | H4 | 129.0° | 60.0° |
| O6 | P1 | O3 | C22 | 50.3° | 175.0° |
| P1 | O6 | P2 | O9 | 75.1° | 160.0° |
| P1 | O6 | P2 | O7 | 38.4° | 40.0° |
| P1 | O6 | P2 | O8 | 169.0° | 80.0° |
| O6 | P1 | O5 | H4 | 122.4° | 60.0° |
| C34 | C35 | C21 | H46 | 116.5° | 119.8° |
| C34 | C35 | C21 | N3 | 173.8° | 176.9° |
| C35 | C34 | C32 | H44 | 118.2° | 119.9° |
| C34 | C35 | C21 | C22 | 58.3° | 57.0° |
| C35 | C34 | C32 | O15 | 52.2° | 57.6° |
| C35 | C34 | C32 | C33 | 172.6° | 177.6° |
| C34 | C35 | C21 | H27 | 55.5° | 63.0° |
| C35 | C34 | C32 | H40 | 66.9° | 62.4° |
| C35 | C34 | O17 | H45 | 180.0° | 179.7° |
| C34 | C35 | O18 | H47 | 180.0° | 60.1° |
| C35 | C21 | C22 | O3 | 56.8° | 62.4° |
| C35 | C21 | N3 | C22 | 124.5° | 119.7° |
| C35 | C21 | N3 | H27 | 117.8° | 120.2° |
| C35 | C21 | N3 | C20 | 137.6° | 155.3° |
| C21 | C35 | C34 | C32 | 51.7° | 56.9° |
| C35 | C21 | C22 | H27 | 113.9° | 120.0° |
| C35 | C21 | C22 | O15 | 64.6° | 57.6° |
| C35 | C21 | N3 | H26 | 42.4° | 24.7° |
| C35 | C21 | C22 | H28 | 176.9° | 177.6° |
| C21 | C35 | C34 | H44 | 66.5° | 63.0° |
| C21 | C35 | O18 | H47 | 55.3° | 179.6° |
| O13 | C30 | C31 | C25 | 115.7° | 118.2° |
| O13 | C30 | C31 | H36 | 126.9° | 123.6° |
| O13 | C30 | C25 | H36 | 125.8° | 123.6° |
| O13 | C30 | C31 | O14 | 38.0° | 20.4° |
| O13 | C30 | C31 | C24 | 157.8° | 139.1° |
| O13 | C30 | C25 | N4 | 87.0° | 86.3° |
| O13 | C30 | C25 | O10 | 153.7° | 155.2° |
| O13 | C30 | C25 | H32 | 35.1° | 36.7° |
| O13 | C30 | C31 | H38 | 85.6° | 102.1° |
| O3 | C22 | C21 | N3 | 71.1° | 57.6° |
| O3 | C22 | C21 | O15 | 121.4° | 120.0° |
| O3 | C22 | C21 | H28 | 120.1° | 120.1° |
| O3 | C22 | O15 | C32 | 50.0° | 58.8° |
| O3 | C22 | O15 | H28 | 123.7° | 120.1° |
| O3 | C22 | C21 | H27 | 170.7° | 177.6° |
| C18 | C19 | C20 | H24 | 120.9° | 120.0° |
| C18 | C19 | C20 | H25 | 121.0° | 120.0° |
| C18 | C19 | C20 | N3 | 173.7° | 180.0° |
| C19 | C18 | C17 | H23 | 120.7° | 120.0° |
| C19 | C18 | C17 | H22 | 120.7° | 120.0° |
| C18 | C19 | C20 | O2 | 9.2° | 0.0° |
| C19 | C18 | C17 | C16 | 162.2° | 180.0° |
| C19 | C18 | C17 | H21 | 77.1° | 60.0° |
| C19 | C18 | C17 | H20 | 41.4° | 60.0° |
| C19 | C18 | H23 | H22 | 117.9° | 120.0° |
| C18 | C19 | H24 | H25 | 117.0° | 120.0° |
| C19 | C20 | N3 | C21 | 177.5° | 180.0° |
| C19 | C20 | N3 | O2 | 177.0° | 180.0° |
| C20 | C19 | C18 | C17 | 93.8° | 180.0° |
| C20 | C19 | C18 | H23 | 26.9° | 60.0° |
| C20 | C19 | C18 | H22 | 145.5° | 60.0° |
| C20 | C19 | H24 | H25 | 117.0° | 120.0° |
| C19 | C20 | N3 | H26 | 2.5° | 0.0° |
| C21 | N3 | C20 | H26 | 180.0° | 179.9° |
| N3 | C21 | C22 | H27 | 118.2° | 120.1° |
| C21 | N3 | C20 | O2 | 0.5° | 0.0° |
| N3 | C21 | C22 | O15 | 167.5° | 177.5° |
| N3 | C21 | C22 | H28 | 49.0° | 62.5° |
| N3 | C21 | C35 | H46 | 69.7° | 57.1° |
| C20 | N3 | C21 | C22 | 97.9° | 85.0° |
| N3 | C20 | C19 | H24 | 65.3° | 60.0° |
| N3 | C20 | C19 | H25 | 52.8° | 60.0° |
| C20 | N3 | C21 | H27 | 19.8° | 35.1° |
| C31 | C30 | C25 | H36 | 117.3° | 118.3° |
| C30 | C31 | O14 | C24 | 111.9° | 114.7° |
| C30 | C31 | O14 | H38 | 122.8° | 122.6° |
| C30 | C31 | C24 | H38 | 116.7° | 118.7° |
| C30 | C31 | C24 | C23 | 84.6° | 121.5° |
| C31 | C30 | C25 | N4 | 156.0° | 155.6° |
| C31 | C30 | C25 | O10 | 36.7° | 37.0° |
| C30 | C31 | C24 | O10 | 34.4° | 2.0° |
| C30 | C31 | C24 | H31 | 151.8° | 117.5° |
| C31 | C30 | C25 | H32 | 81.9° | 81.5° |
| C31 | C30 | O13 | H37 | 180.0° | 61.4° |
| C30 | C31 | O14 | H39 | 180.0° | 61.5° |
| C30 | C25 | N4 | C26 | 55.5° | 60.3° |
| C25 | C30 | C31 | O14 | 77.7° | 97.7° |
| C25 | C30 | C31 | C24 | 42.1° | 20.9° |
| C30 | C25 | N4 | O10 | 118.2° | 114.1° |
| C30 | C25 | N4 | H32 | 121.8° | 123.0° |
| C30 | C25 | N4 | C29 | 128.1° | 119.4° |
| C30 | C25 | O10 | H32 | 117.5° | 118.5° |
| C30 | C25 | O10 | C24 | 15.8° | 40.1° |
| C25 | C30 | O13 | H37 | 70.7° | 174.1° |
| C25 | C30 | C31 | H38 | 158.7° | 139.7° |
| C26 | C27 | C28 | H34 | 180.0° | 179.9° |
| C27 | C26 | N4 | H33 | 180.0° | 180.0° |
| C26 | C27 | C28 | O11 | 179.4° | 180.0° |
| C26 | C27 | C28 | N5 | 2.1° | 0.0° |
| C27 | C26 | N4 | C25 | 178.2° | 179.9° |
| C27 | C26 | N4 | C29 | 1.9° | 0.3° |
| C28 | C27 | C26 | N4 | 0.3° | 0.0° |
| C27 | C28 | O11 | N5 | 178.4° | 180.0° |
| C27 | C28 | N5 | C29 | 3.3° | 0.2° |
| C28 | C27 | C26 | H33 | 179.7° | 179.9° |
| C27 | C28 | N5 | H35 | 176.7° | 180.0° |
| C34 | C32 | O15 | C33 | 124.7° | 120.0° |
| C34 | C32 | O15 | H40 | 118.5° | 119.9° |
| C34 | C32 | C33 | H40 | 120.4° | 120.0° |
| C34 | C32 | O15 | C22 | 63.7° | 61.1° |
| C34 | C32 | C33 | O16 | 66.8° | 175.1° |
| C34 | C32 | C33 | H41 | 172.6° | 55.0° |
| C34 | C32 | C33 | H42 | 53.7° | 65.0° |
| C32 | C34 | O17 | H45 | 59.5° | 59.9° |
| C32 | C34 | C35 | H46 | 64.8° | 62.9° |
| C26 | N4 | C25 | C29 | 176.4° | 179.7° |
| C26 | N4 | C25 | O10 | 62.7° | 53.8° |
| C26 | N4 | C29 | N5 | 0.9° | 0.5° |
| C26 | N4 | C29 | O12 | 179.9° | 179.7° |
| C26 | N4 | C25 | H32 | 177.3° | 176.7° |
| N4 | C26 | C27 | H34 | 179.7° | 179.9° |
| C21 | C22 | O15 | C32 | 68.9° | 61.1° |
| C21 | C22 | O15 | H28 | 117.4° | 120.0° |
| C22 | C21 | N3 | H26 | 82.1° | 95.1° |
| C22 | C21 | C35 | H46 | 58.2° | 62.9° |
| C23 | O9 | P2 | O6 | 141.9° | 175.0° |
| O9 | C23 | C24 | C31 | 57.6° | 175.7° |
| O9 | C23 | C24 | H29 | 120.2° | 120.0° |
| O9 | C23 | C24 | H30 | 120.1° | 120.1° |
| C23 | O9 | P2 | O7 | 105.8° | 55.0° |
| C23 | O9 | P2 | O8 | 32.1° | 65.0° |
| O9 | C23 | C24 | O10 | 174.8° | 66.5° |
| O9 | C23 | H29 | H30 | 119.5° | 120.1° |
| O9 | C23 | C24 | H31 | 65.9° | 54.6° |
| O9 | P2 | O6 | O7 | 113.5° | 120.0° |
| O9 | P2 | O6 | O8 | 116.0° | 120.0° |
| P2 | O9 | C23 | C24 | 64.2° | 180.0° |
| O9 | P2 | O7 | O8 | 132.3° | 120.0° |
| O9 | P2 | O8 | H5 | 130.9° | 60.0° |
| P2 | O9 | C23 | H29 | 56.0° | 60.0° |
| P2 | O9 | C23 | H30 | 175.7° | 60.0° |
| C18 | C17 | C16 | H21 | 120.8° | 120.0° |
| C18 | C17 | C16 | H20 | 120.7° | 120.0° |
| C18 | C17 | C16 | C15 | 169.4° | 180.0° |
| C18 | C17 | C16 | H19 | 48.5° | 60.0° |
| C18 | C17 | C16 | H18 | 69.7° | 60.0° |
| C18 | C17 | H21 | H20 | 117.6° | 120.0° |
| C17 | C18 | H23 | H22 | 117.9° | 120.0° |
| C17 | C18 | C19 | H24 | 27.1° | 60.0° |
| C17 | C18 | C19 | H25 | 145.2° | 60.0° |
| O2 | C20 | C19 | H24 | 111.7° | 120.0° |
| O2 | C20 | C19 | H25 | 130.2° | 120.0° |
| O2 | C20 | N3 | H26 | 179.5° | 179.9° |
| O11 | C28 | N5 | C29 | 178.1° | 179.7° |
| O11 | C28 | C27 | H34 | 0.6° | 0.1° |
| O11 | C28 | N5 | H35 | 1.8° | 0.0° |
| O6 | P2 | O7 | O8 | 118.8° | 120.0° |
| O6 | P2 | O8 | H5 | 120.4° | 60.0° |
| C28 | N5 | C29 | N4 | 1.8° | 0.5° |
| C28 | N5 | C29 | H35 | 180.0° | 179.7° |
| C28 | N5 | C29 | O12 | 177.4° | 179.7° |
| N5 | C28 | C27 | H34 | 177.9° | 179.9° |
| O14 | C31 | C24 | H38 | 126.2° | 122.6° |
| O14 | C31 | C24 | C23 | 158.2° | 119.9° |
| O14 | C31 | C24 | O10 | 82.8° | 120.7° |
| O14 | C31 | C24 | H31 | 34.6° | 1.2° |
| O14 | C31 | C30 | H36 | 164.9° | 144.0° |
| C31 | C24 | C23 | O10 | 117.2° | 117.8° |
| C31 | C24 | C23 | H31 | 123.5° | 121.1° |
| C31 | C24 | O10 | C25 | 11.9° | 26.5° |
| C31 | C24 | O10 | H31 | 116.6° | 119.5° |
| C31 | C24 | C23 | H29 | 177.7° | 64.3° |
| C31 | C24 | C23 | H30 | 62.6° | 55.6° |
| C24 | C31 | C30 | H36 | 75.2° | 97.4° |
| C24 | C31 | O14 | H39 | 68.1° | 176.2° |
| O15 | C32 | C33 | H40 | 117.3° | 120.0° |
| O15 | C32 | C33 | O16 | 55.5° | 65.0° |
| C32 | O15 | C22 | H28 | 173.7° | 178.9° |
| O15 | C32 | C33 | H41 | 65.1° | 175.0° |
| O15 | C32 | C33 | H42 | 176.0° | 55.0° |
| O15 | C32 | C34 | H44 | 66.0° | 62.4° |
| C33 | C32 | O15 | C22 | 171.6° | 178.8° |
| C32 | C33 | O16 | H41 | 120.6° | 120.0° |
| C32 | C33 | O16 | H42 | 120.5° | 120.0° |
| C32 | C33 | H41 | H42 | 118.3° | 120.0° |
| C32 | C33 | O16 | H43 | 180.0° | 180.0° |
| C33 | C32 | C34 | H44 | 54.3° | 57.7° |
| O15 | C22 | C21 | H27 | 49.2° | 62.4° |
| C22 | O15 | C32 | H40 | 54.8° | 58.8° |
| C23 | C24 | O10 | C25 | 112.8° | 145.9° |
| C23 | C24 | O10 | H31 | 118.7° | 121.0° |
| C24 | C23 | H29 | H30 | 119.6° | 120.0° |
| C23 | C24 | C31 | H38 | 32.1° | 2.7° |
| N4 | C25 | O10 | H32 | 119.4° | 122.9° |
| C25 | N4 | C29 | N5 | 177.4° | 179.8° |
| N4 | C25 | O10 | C24 | 138.9° | 158.7° |
| C25 | N4 | C29 | O12 | 3.5° | 0.0° |
| C25 | N4 | C26 | H33 | 1.8° | 0.1° |
| N4 | C25 | C30 | H36 | 38.7° | 37.3° |
| C29 | N4 | C25 | O10 | 113.7° | 126.5° |
| N4 | C29 | N5 | O12 | 179.2° | 179.7° |
| C29 | N4 | C25 | H32 | 6.3° | 3.6° |
| C29 | N4 | C26 | H33 | 178.0° | 179.8° |
| N4 | C29 | N5 | H35 | 178.2° | 179.7° |
| O7 | P2 | O8 | H5 | 0.0° | 180.0° |
| C17 | C16 | C15 | H19 | 120.9° | 120.0° |
| C17 | C16 | C15 | H18 | 120.9° | 120.0° |
| C17 | C16 | C15 | N2 | 82.9° | 180.0° |
| C17 | C16 | C15 | H17 | 156.2° | 60.0° |
| C17 | C16 | C15 | H16 | 37.9° | 60.1° |
| C17 | C16 | H19 | H18 | 117.1° | 120.0° |
| C16 | C17 | H21 | H20 | 117.7° | 120.0° |
| C16 | C17 | C18 | H23 | 41.5° | 60.0° |
| C16 | C17 | C18 | H22 | 77.1° | 60.0° |
| C25 | O10 | C24 | H31 | 128.5° | 93.0° |
| O10 | C25 | C30 | H36 | 80.6° | 81.2° |
| O10 | C24 | C23 | H29 | 65.0° | 53.5° |
| O10 | C24 | C23 | H30 | 54.7° | 173.5° |
| C24 | O10 | C25 | H32 | 101.7° | 78.4° |
| O10 | C24 | C31 | H38 | 151.1° | 116.7° |
| O16 | C33 | C32 | H40 | 172.8° | 55.0° |
| O16 | C33 | H41 | H42 | 118.3° | 120.0° |
| O12 | C29 | N5 | H35 | 2.6° | 0.0° |
| C16 | C15 | N2 | H17 | 120.8° | 120.0° |
| C16 | C15 | N2 | H16 | 120.8° | 120.0° |
| C16 | C15 | N2 | C14 | 160.4° | 180.0° |
| C16 | C15 | N2 | H15 | 19.6° | 0.0° |
| C16 | C15 | H17 | H16 | 117.4° | 120.1° |
| C15 | C16 | H19 | H18 | 117.1° | 120.0° |
| C15 | C16 | C17 | H21 | 69.8° | 60.0° |
| C15 | C16 | C17 | H20 | 48.7° | 60.0° |
| C15 | N2 | C14 | H15 | 180.0° | 180.0° |
| C15 | N2 | C14 | O1 | 38.1° | 0.0° |
| C15 | N2 | C14 | C13 | 140.1° | 180.0° |
| N2 | C15 | H17 | H16 | 117.3° | 120.0° |
| N2 | C15 | C16 | H19 | 38.0° | 60.0° |
| N2 | C15 | C16 | H18 | 156.1° | 60.0° |
| N2 | C14 | O1 | C13 | 178.2° | 180.0° |
| N2 | C14 | C13 | C12 | 163.3° | 180.0° |
| N2 | C14 | C13 | H14 | 75.8° | 60.0° |
| N2 | C14 | C13 | H13 | 42.4° | 60.0° |
| C14 | N2 | C15 | H17 | 39.6° | 60.0° |
| C14 | N2 | C15 | H16 | 78.8° | 60.0° |
| O1 | C14 | C13 | C12 | 18.5° | 0.0° |
| O1 | C14 | C13 | H14 | 102.4° | 120.0° |
| O1 | C14 | C13 | H13 | 139.4° | 120.0° |
| O1 | C14 | N2 | H15 | 141.9° | 180.0° |
| C14 | C13 | C12 | H14 | 120.9° | 120.0° |
| C14 | C13 | C12 | H13 | 120.9° | 120.0° |
| C14 | C13 | C12 | C11 | 148.5° | 180.0° |
| C14 | C13 | C12 | H12 | 90.5° | 60.0° |
| C14 | C13 | C12 | H11 | 27.4° | 60.0° |
| C14 | C13 | H14 | H13 | 117.3° | 120.1° |
| C13 | C14 | N2 | H15 | 39.9° | 0.0° |
| C13 | C12 | C11 | H12 | 121.1° | 120.0° |
| C13 | C12 | C11 | H11 | 121.1° | 120.0° |
| C13 | C12 | C11 | H1 | 180.0° | 180.0° |
| C13 | C12 | C11 | H2 | 60.0° | 59.9° |
| C13 | C12 | C11 | H3 | 60.0° | 60.0° |
| C13 | C12 | H12 | H11 | 116.6° | 120.0° |
| C12 | C13 | H14 | H13 | 117.3° | 120.0° |
| C12 | C11 | H1 | H2 | 120.0° | 120.0° |
| C12 | C11 | H1 | H3 | 120.0° | 120.0° |
| C12 | C11 | H2 | H3 | 120.0° | 119.9° |
| C11 | C12 | H12 | H11 | 116.7° | 120.0° |
| C11 | C12 | C13 | H14 | 27.6° | 60.0° |
| C11 | C12 | C13 | H13 | 90.7° | 60.0° |
| H1 | C11 | H2 | H3 | 120.0° | 120.0° |
| H1 | C11 | C12 | H12 | 58.9° | 60.0° |
| H1 | C11 | C12 | H11 | 58.9° | 60.0° |
| H2 | C11 | C12 | H12 | 178.9° | 60.1° |
| H2 | C11 | C12 | H11 | 61.0° | 179.9° |
| H3 | C11 | C12 | H12 | 61.1° | 180.0° |
| H3 | C11 | C12 | H11 | 179.0° | 60.0° |
| H12 | C12 | C13 | H14 | 148.6° | 180.0° |
| H12 | C12 | C13 | H13 | 30.4° | 60.0° |
| H11 | C12 | C13 | H14 | 93.5° | 60.0° |
| H11 | C12 | C13 | H13 | 148.2° | 180.0° |
| H15 | N2 | C15 | H17 | 140.4° | 119.9° |
| H15 | N2 | C15 | H16 | 101.3° | 120.0° |
| H17 | C15 | C16 | H19 | 82.9° | 179.9° |
| H17 | C15 | C16 | H18 | 35.3° | 59.9° |
| H16 | C15 | C16 | H19 | 158.8° | 59.9° |
| H16 | C15 | C16 | H18 | 83.1° | 179.9° |
| H19 | C16 | C17 | H21 | 169.3° | 180.0° |
| H19 | C16 | C17 | H20 | 72.2° | 60.0° |
| H18 | C16 | C17 | H21 | 51.1° | 60.0° |
| H18 | C16 | C17 | H20 | 169.6° | 180.0° |
| H21 | C17 | C18 | H23 | 162.3° | 180.0° |
| H21 | C17 | C18 | H22 | 43.6° | 60.0° |
| H20 | C17 | C18 | H23 | 79.3° | 60.0° |
| H20 | C17 | C18 | H22 | 162.1° | 180.0° |
| H23 | C18 | C19 | H24 | 147.8° | 180.0° |
| H23 | C18 | C19 | H25 | 94.1° | 60.0° |
| H22 | C18 | C19 | H24 | 93.5° | 60.0° |
| H22 | C18 | C19 | H25 | 24.6° | 180.0° |
| H26 | N3 | C21 | H27 | 160.2° | 144.8° |
| H27 | C21 | C22 | H28 | 69.2° | 57.6° |
| H27 | C21 | C35 | H46 | 172.0° | 177.2° |
| H29 | C23 | C24 | H31 | 54.2° | 174.6° |
| H30 | C23 | C24 | H31 | 173.9° | 65.5° |
| H31 | C24 | C31 | H38 | 91.6° | 123.8° |
| H32 | C25 | C30 | H36 | 160.8° | 160.3° |
| H33 | C26 | C27 | H34 | 0.3° | 0.0° |
| H36 | C30 | O13 | H37 | 54.1° | 62.2° |
| H36 | C30 | C31 | H38 | 41.3° | 21.4° |
| H38 | C31 | O14 | H39 | 57.3° | 61.1° |
| H40 | C32 | C33 | H41 | 52.2° | 65.0° |
| H40 | C32 | C33 | H42 | 66.7° | 175.0° |
| H40 | C32 | C34 | H44 | 174.9° | 177.7° |
| H41 | C33 | O16 | H43 | 59.4° | 60.0° |
| H42 | C33 | O16 | H43 | 59.5° | 60.0° |
| H44 | C34 | O17 | H45 | 59.4° | 60.2° |
| H44 | C34 | C35 | H46 | 177.0° | 177.2° |
| H46 | C35 | O18 | H47 | 61.9° | 60.1° |
