CC0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P1 | OR1 | sing | 1.48Å | 1.50Å | |
| P1 | OR2 | doub | 1.61Å | 1.50Å | |
| P1 | O10 | sing | 1.61Å | 1.50Å | |
| P1 | C8 | sing | 1.81Å | 1.80Å | |
| OR1 | HR1 | sing | 6.43Å | 0.95Å | |
| O10 | H10 | sing | 0.97Å | 0.95Å | |
| C1 | N1 | sing | 1.47Å | 1.45Å | |
| C1 | C11 | sing | 1.53Å | 1.57Å | |
| C1 | C14 | sing | 1.51Å | 1.54Å | |
| C1 | HC11 | sing | 1.09Å | 1.10Å | |
| N1 | C3 | sing | 1.35Å | 1.34Å | |
| N1 | HN11 | sing | 0.97Å | 1.00Å | |
| C0 | C3 | sing | 1.51Å | 1.50Å | |
| C0 | N2 | sing | 1.47Å | 1.46Å | |
| C0 | C4 | sing | 1.53Å | 1.54Å | |
| C0 | HC01 | sing | 1.09Å | 1.10Å | |
| C3 | O2 | doub | 1.21Å | 1.23Å | |
| N2 | C12 | sing | 1.35Å | 1.35Å | |
| N2 | HN21 | sing | 0.97Å | 1.00Å | |
| C4 | C5 | sing | 1.51Å | 1.53Å | |
| C4 | HC41 | sing | 1.09Å | 1.10Å | |
| C4 | HC42 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | C8 | sing | 1.38Å | 1.41Å | Aromatic |
| C6 | HC61 | sing | 1.08Å | 1.08Å | |
| C7 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
| C7 | HC71 | sing | 1.08Å | 1.08Å | |
| C8 | C10 | doub | 1.39Å | 1.42Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.41Å | Aromatic |
| C9 | HC91 | sing | 1.08Å | 1.08Å | |
| C10 | O3 | sing | 1.36Å | 1.42Å | |
| O3 | C28 | sing | 1.43Å | 1.44Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H113 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.51Å | 1.50Å | |
| C12 | O4 | doub | 1.21Å | 1.22Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H133 | sing | 1.09Å | 1.10Å | |
| O5 | C17 | sing | 1.36Å | 1.41Å | |
| O5 | C20 | sing | 1.43Å | 1.45Å | |
| C14 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C19 | sing | 1.39Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.40Å | 1.41Å | Aromatic |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C16 | C17 | doub | 1.40Å | 1.42Å | Aromatic |
| C16 | C27 | sing | 1.48Å | 1.53Å | |
| C17 | C18 | sing | 1.39Å | 1.42Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C20 | C21 | sing | 1.53Å | 1.54Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C21 | C22 | sing | 1.53Å | 1.56Å | |
| C21 | C26 | sing | 1.53Å | 1.56Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C23 | C24 | sing | 1.53Å | 1.56Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C24 | C25 | sing | 1.53Å | 1.55Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C25 | C26 | sing | 1.53Å | 1.54Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C27 | N3 | sing | 1.35Å | 1.36Å | |
| C27 | O6 | doub | 1.22Å | 1.23Å | |
| N3 | HN31 | sing | 0.97Å | 1.00Å | |
| N3 | HN32 | sing | 0.97Å | 1.00Å | |
| C28 | C29 | sing | 1.51Å | 1.51Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C29 | O7 | doub | 1.34Å | 1.34Å | |
| C29 | O8 | sing | 1.21Å | 1.23Å | |
| O8 | HXT | sing | 9.23Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OR1 | P1 | OR2 | 108.7° | 109.5° |
| OR1 | P1 | O10 | 110.0° | 109.4° |
| OR1 | P1 | C8 | 110.1° | 109.5° |
| P1 | OR1 | HR1 | 109.5° | 21.4° |
| OR2 | P1 | O10 | 110.0° | 109.5° |
| OR2 | P1 | C8 | 109.7° | 109.5° |
| O10 | P1 | C8 | 108.4° | 109.4° |
| P1 | O10 | H10 | 109.5° | 106.8° |
| P1 | C8 | C6 | 119.7° | 120.0° |
| P1 | C8 | C10 | 121.4° | 120.0° |
| N1 | C1 | C11 | 109.5° | 109.5° |
| N1 | C1 | C14 | 113.3° | 109.5° |
| N1 | C1 | HC11 | 106.8° | 109.4° |
| C1 | N1 | C3 | 122.1° | 120.1° |
| C1 | N1 | HN11 | 119.0° | 120.0° |
| C11 | C1 | C14 | 109.6° | 109.5° |
| C11 | C1 | HC11 | 110.8° | 109.5° |
| C1 | C11 | H111 | 109.5° | 109.5° |
| C1 | C11 | H112 | 109.5° | 109.5° |
| C1 | C11 | H113 | 109.5° | 109.5° |
| C14 | C1 | HC11 | 106.8° | 109.5° |
| C1 | C14 | C15 | 132.3° | 119.8° |
| C1 | C14 | C19 | 109.2° | 119.9° |
| C3 | N1 | HN11 | 119.0° | 119.9° |
| N1 | C3 | C0 | 117.2° | 120.0° |
| N1 | C3 | O2 | 124.3° | 119.9° |
| C3 | C0 | N2 | 109.9° | 109.5° |
| C3 | C0 | C4 | 107.4° | 109.5° |
| C3 | C0 | HC01 | 111.9° | 109.5° |
| C0 | C3 | O2 | 118.4° | 120.0° |
| N2 | C0 | C4 | 113.4° | 109.5° |
| N2 | C0 | HC01 | 105.8° | 109.4° |
| C0 | N2 | C12 | 120.5° | 120.0° |
| C0 | N2 | HN21 | 119.7° | 120.0° |
| C4 | C0 | HC01 | 108.4° | 109.5° |
| C0 | C4 | C5 | 106.2° | 109.5° |
| C0 | C4 | HC41 | 111.3° | 109.5° |
| C0 | C4 | HC42 | 110.6° | 109.5° |
| C12 | N2 | HN21 | 119.7° | 120.0° |
| N2 | C12 | C13 | 118.1° | 120.0° |
| N2 | C12 | O4 | 123.5° | 120.0° |
| C5 | C4 | HC41 | 111.3° | 109.5° |
| C5 | C4 | HC42 | 110.5° | 109.4° |
| C4 | C5 | C6 | 120.1° | 119.9° |
| C4 | C5 | C7 | 120.1° | 119.9° |
| HC41 | C4 | HC42 | 107.0° | 109.5° |
| C6 | C5 | C7 | 119.8° | 120.1° |
| C5 | C6 | C8 | 121.1° | 120.0° |
| C5 | C6 | HC61 | 119.4° | 120.0° |
| C5 | C7 | C9 | 119.5° | 120.0° |
| C5 | C7 | HC71 | 120.2° | 120.0° |
| C8 | C6 | HC61 | 119.5° | 120.0° |
| C6 | C8 | C10 | 118.9° | 120.0° |
| C9 | C7 | HC71 | 120.2° | 120.0° |
| C7 | C9 | C10 | 121.0° | 120.0° |
| C7 | C9 | HC91 | 119.5° | 120.0° |
| C8 | C10 | C9 | 119.6° | 119.9° |
| C8 | C10 | O3 | 119.1° | 120.1° |
| C10 | C9 | HC91 | 119.5° | 120.0° |
| C9 | C10 | O3 | 121.3° | 120.0° |
| C10 | O3 | C28 | 113.5° | 106.8° |
| O3 | C28 | C29 | 110.4° | 109.5° |
| O3 | C28 | H281 | 108.9° | 109.5° |
| O3 | C28 | H282 | 109.2° | 109.5° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H111 | C11 | H113 | 109.4° | 109.4° |
| H112 | C11 | H113 | 109.5° | 109.5° |
| C13 | C12 | O4 | 118.3° | 120.0° |
| C12 | C13 | H131 | 109.5° | 109.4° |
| C12 | C13 | H132 | 109.4° | 109.5° |
| C12 | C13 | H133 | 109.5° | 109.5° |
| H131 | C13 | H132 | 109.5° | 109.5° |
| H131 | C13 | H133 | 109.4° | 109.5° |
| H132 | C13 | H133 | 109.5° | 109.5° |
| C17 | O5 | C20 | 119.8° | 106.8° |
| O5 | C17 | C16 | 121.0° | 120.1° |
| O5 | C17 | C18 | 121.6° | 120.2° |
| O5 | C20 | C21 | 110.8° | 109.5° |
| O5 | C20 | H201 | 108.7° | 109.5° |
| O5 | C20 | H202 | 109.0° | 109.4° |
| C15 | C14 | C19 | 118.4° | 120.3° |
| C14 | C15 | C16 | 121.3° | 119.9° |
| C14 | C15 | H151 | 119.3° | 120.1° |
| C14 | C19 | C18 | 120.8° | 120.4° |
| C14 | C19 | H191 | 119.6° | 119.9° |
| C16 | C15 | H151 | 119.4° | 120.0° |
| C15 | C16 | C17 | 120.0° | 119.6° |
| C15 | C16 | C27 | 117.2° | 120.2° |
| C17 | C16 | C27 | 122.8° | 120.2° |
| C16 | C17 | C18 | 117.4° | 119.7° |
| C16 | C27 | N3 | 123.6° | 120.0° |
| C16 | C27 | O6 | 117.8° | 120.0° |
| C17 | C18 | C19 | 120.9° | 120.1° |
| C17 | C18 | H181 | 119.6° | 120.0° |
| C19 | C18 | H181 | 119.6° | 119.9° |
| C18 | C19 | H191 | 119.6° | 119.8° |
| C21 | C20 | H201 | 108.8° | 109.5° |
| C21 | C20 | H202 | 109.1° | 109.5° |
| C20 | C21 | C22 | 108.7° | 109.4° |
| C20 | C21 | C26 | 109.7° | 109.4° |
| C20 | C21 | H211 | 109.8° | 109.5° |
| H201 | C20 | H202 | 110.5° | 109.5° |
| C22 | C21 | C26 | 109.4° | 109.5° |
| C22 | C21 | H211 | 110.1° | 109.5° |
| C21 | C22 | C23 | 109.8° | 109.4° |
| C21 | C22 | H221 | 109.3° | 109.5° |
| C21 | C22 | H222 | 109.3° | 109.5° |
| C26 | C21 | H211 | 109.1° | 109.4° |
| C21 | C26 | C25 | 109.7° | 109.4° |
| C21 | C26 | H261 | 109.3° | 109.5° |
| C21 | C26 | H262 | 109.4° | 109.5° |
| C23 | C22 | H221 | 109.3° | 109.4° |
| C23 | C22 | H222 | 109.4° | 109.5° |
| C22 | C23 | C24 | 110.1° | 109.4° |
| C22 | C23 | H231 | 109.2° | 109.5° |
| C22 | C23 | H232 | 109.3° | 109.5° |
| H221 | C22 | H222 | 109.7° | 109.5° |
| C24 | C23 | H231 | 109.1° | 109.5° |
| C24 | C23 | H232 | 109.3° | 109.5° |
| C23 | C24 | C25 | 112.4° | 109.5° |
| C23 | C24 | H241 | 107.8° | 109.4° |
| C23 | C24 | H242 | 108.5° | 109.4° |
| H231 | C23 | H232 | 109.9° | 109.5° |
| C25 | C24 | H241 | 107.9° | 109.5° |
| C25 | C24 | H242 | 108.5° | 109.5° |
| C24 | C25 | C26 | 109.5° | 109.5° |
| C24 | C25 | H251 | 109.5° | 109.5° |
| C24 | C25 | H252 | 109.5° | 109.5° |
| H241 | C24 | H242 | 111.8° | 109.5° |
| C26 | C25 | H251 | 109.5° | 109.5° |
| C26 | C25 | H252 | 109.5° | 109.5° |
| C25 | C26 | H261 | 109.3° | 109.5° |
| C25 | C26 | H262 | 109.4° | 109.5° |
| H251 | C25 | H252 | 109.5° | 109.4° |
| H261 | C26 | H262 | 109.6° | 109.5° |
| N3 | C27 | O6 | 118.6° | 120.0° |
| C27 | N3 | HN31 | 125.7° | 120.0° |
| C27 | N3 | HN32 | 108.5° | 120.0° |
| HN31 | N3 | HN32 | 125.7° | 120.0° |
| C29 | C28 | H281 | 109.0° | 109.5° |
| C29 | C28 | H282 | 109.2° | 109.4° |
| C28 | C29 | O7 | 116.5° | 120.0° |
| C28 | C29 | O8 | 120.1° | 120.0° |
| H281 | C28 | H282 | 110.2° | 109.5° |
| O7 | C29 | O8 | 123.3° | 120.0° |
| C29 | O8 | HXT | 109.5° | 75.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OR1 | P1 | OR2 | O10 | 120.5° | 120.0° |
| OR1 | P1 | OR2 | C8 | 120.4° | 120.0° |
| OR1 | P1 | O10 | C8 | 120.4° | 119.9° |
| OR1 | P1 | O10 | H10 | 177.3° | 60.1° |
| OR1 | P1 | C8 | C6 | 0.0° | 150.2° |
| OR1 | P1 | C8 | C10 | 179.8° | 30.0° |
| OR2 | P1 | O10 | C8 | 119.9° | 120.0° |
| OR2 | P1 | OR1 | HR1 | 151.2° | 172.9° |
| OR2 | P1 | O10 | H10 | 63.0° | 60.0° |
| OR2 | P1 | C8 | C6 | 119.6° | 89.7° |
| OR2 | P1 | C8 | C10 | 60.7° | 90.0° |
| O10 | P1 | OR1 | HR1 | 30.7° | 67.1° |
| O10 | P1 | C8 | C6 | 120.3° | 30.3° |
| O10 | P1 | C8 | C10 | 59.5° | 150.0° |
| C8 | P1 | OR1 | HR1 | 88.7° | 52.8° |
| C8 | P1 | O10 | H10 | 56.9° | 180.0° |
| P1 | C8 | C6 | C5 | 179.8° | 179.7° |
| P1 | C8 | C6 | C10 | 179.7° | 179.7° |
| P1 | C8 | C6 | HC61 | 0.2° | 0.3° |
| P1 | C8 | C10 | C9 | 179.5° | 180.0° |
| P1 | C8 | C10 | O3 | 0.4° | 0.0° |
| N1 | C1 | C11 | C14 | 124.9° | 120.0° |
| N1 | C1 | C11 | HC11 | 117.6° | 120.0° |
| N1 | C1 | C14 | HC11 | 117.3° | 120.0° |
| C1 | N1 | C3 | HN11 | 180.0° | 180.0° |
| C1 | N1 | C3 | C0 | 161.8° | 180.0° |
| C1 | N1 | C3 | O2 | 19.7° | 0.0° |
| N1 | C1 | C11 | H111 | 59.1° | 60.0° |
| N1 | C1 | C11 | H112 | 60.9° | 180.0° |
| N1 | C1 | C11 | H113 | 179.1° | 59.9° |
| N1 | C1 | C14 | C15 | 10.4° | 139.7° |
| N1 | C1 | C14 | C19 | 165.1° | 40.0° |
| C11 | C1 | C14 | HC11 | 120.0° | 120.0° |
| C11 | C1 | N1 | C3 | 162.4° | 85.0° |
| C11 | C1 | N1 | HN11 | 17.5° | 95.0° |
| C1 | C11 | H111 | H112 | 120.0° | 120.0° |
| C1 | C11 | H111 | H113 | 120.0° | 120.0° |
| C1 | C11 | H112 | H113 | 120.0° | 120.1° |
| C11 | C1 | C14 | C15 | 112.2° | 100.3° |
| C11 | C1 | C14 | C19 | 72.3° | 80.0° |
| C14 | C1 | N1 | C3 | 74.9° | 155.0° |
| C14 | C1 | N1 | HN11 | 105.1° | 25.0° |
| C14 | C1 | C11 | H111 | 65.8° | 60.0° |
| C14 | C1 | C11 | H112 | 174.2° | 60.0° |
| C14 | C1 | C11 | H113 | 54.2° | 179.9° |
| C1 | C14 | C15 | C19 | 175.2° | 179.8° |
| C1 | C14 | C15 | C16 | 173.6° | 179.7° |
| C1 | C14 | C15 | H151 | 6.4° | 0.2° |
| C1 | C14 | C19 | C18 | 168.4° | 180.0° |
| C1 | C14 | C19 | H191 | 11.6° | 0.0° |
| HC11 | C1 | N1 | C3 | 42.4° | 35.0° |
| HC11 | C1 | N1 | HN11 | 137.6° | 145.0° |
| HC11 | C1 | C11 | H111 | 176.7° | 179.9° |
| HC11 | C1 | C11 | H112 | 56.7° | 60.0° |
| HC11 | C1 | C11 | H113 | 63.4° | 60.0° |
| HC11 | C1 | C14 | C15 | 127.7° | 19.8° |
| HC11 | C1 | C14 | C19 | 47.8° | 160.0° |
| N1 | C3 | C0 | O2 | 178.6° | 180.0° |
| N1 | C3 | C0 | N2 | 135.2° | 160.0° |
| N1 | C3 | C0 | C4 | 101.0° | 80.0° |
| N1 | C3 | C0 | HC01 | 17.9° | 40.0° |
| HN11 | N1 | C3 | C0 | 18.2° | 0.0° |
| HN11 | N1 | C3 | O2 | 160.3° | 180.0° |
| C3 | C0 | N2 | C4 | 120.3° | 120.0° |
| C3 | C0 | N2 | HC01 | 121.1° | 120.0° |
| C3 | C0 | C4 | HC01 | 121.1° | 120.1° |
| C3 | C0 | N2 | C12 | 102.4° | 60.0° |
| C3 | C0 | N2 | HN21 | 77.6° | 120.0° |
| C3 | C0 | C4 | C5 | 179.3° | 175.0° |
| C3 | C0 | C4 | HC41 | 58.0° | 65.0° |
| C3 | C0 | C4 | HC42 | 60.7° | 55.0° |
| N2 | C0 | C4 | HC01 | 117.2° | 120.0° |
| N2 | C0 | C3 | O2 | 43.4° | 20.0° |
| C0 | N2 | C12 | HN21 | 180.0° | 180.0° |
| N2 | C0 | C4 | C5 | 59.0° | 65.0° |
| N2 | C0 | C4 | HC41 | 179.7° | 55.0° |
| N2 | C0 | C4 | HC42 | 60.9° | 175.0° |
| C0 | N2 | C12 | C13 | 179.5° | 180.0° |
| C0 | N2 | C12 | O4 | 0.4° | 0.0° |
| C4 | C0 | C3 | O2 | 80.4° | 100.0° |
| C4 | C0 | N2 | C12 | 137.3° | 60.0° |
| C4 | C0 | N2 | HN21 | 42.7° | 120.0° |
| C0 | C4 | C5 | HC41 | 121.3° | 120.0° |
| C0 | C4 | C5 | HC42 | 120.0° | 120.0° |
| C0 | C4 | HC41 | HC42 | 120.9° | 120.0° |
| C0 | C4 | C5 | C6 | 87.6° | 90.3° |
| C0 | C4 | C5 | C7 | 92.2° | 90.0° |
| HC01 | C0 | C3 | O2 | 160.7° | 140.0° |
| HC01 | C0 | N2 | C12 | 18.7° | 180.0° |
| HC01 | C0 | N2 | HN21 | 161.3° | 0.0° |
| HC01 | C0 | C4 | C5 | 58.2° | 54.9° |
| HC01 | C0 | C4 | HC41 | 63.1° | 175.0° |
| HC01 | C0 | C4 | HC42 | 178.1° | 65.0° |
| N2 | C12 | C13 | O4 | 179.9° | 180.0° |
| N2 | C12 | C13 | H131 | 124.7° | 90.0° |
| N2 | C12 | C13 | H132 | 115.3° | 150.0° |
| N2 | C12 | C13 | H133 | 4.7° | 30.0° |
| HN21 | N2 | C12 | C13 | 0.5° | 0.0° |
| HN21 | N2 | C12 | O4 | 179.6° | 180.0° |
| C5 | C4 | HC41 | HC42 | 120.9° | 119.9° |
| C4 | C5 | C6 | C7 | 179.8° | 179.7° |
| C4 | C5 | C6 | C8 | 179.5° | 179.7° |
| C4 | C5 | C6 | HC61 | 0.5° | 0.3° |
| C4 | C5 | C7 | C9 | 179.6° | 180.0° |
| C4 | C5 | C7 | HC71 | 0.4° | 0.1° |
| HC41 | C4 | C5 | C6 | 151.1° | 149.7° |
| HC41 | C4 | C5 | C7 | 29.1° | 30.0° |
| HC42 | C4 | C5 | C6 | 32.4° | 29.7° |
| HC42 | C4 | C5 | C7 | 147.8° | 150.0° |
| C5 | C6 | C8 | HC61 | 180.0° | 179.4° |
| C6 | C5 | C7 | C9 | 0.2° | 0.3° |
| C6 | C5 | C7 | HC71 | 179.8° | 179.6° |
| C5 | C6 | C8 | C10 | 0.1° | 0.6° |
| C7 | C5 | C6 | C8 | 0.3° | 0.6° |
| C7 | C5 | C6 | HC61 | 179.7° | 180.0° |
| C5 | C7 | C9 | HC71 | 180.0° | 179.9° |
| C5 | C7 | C9 | C10 | 0.1° | 0.1° |
| C5 | C7 | C9 | HC91 | 180.0° | 179.9° |
| C6 | C8 | C10 | C9 | 0.2° | 0.3° |
| C6 | C8 | C10 | O3 | 179.8° | 179.7° |
| HC61 | C6 | C8 | C10 | 179.9° | 180.0° |
| C7 | C9 | C10 | C8 | 0.3° | 0.1° |
| C7 | C9 | C10 | HC91 | 180.0° | 179.9° |
| C7 | C9 | C10 | O3 | 179.8° | 180.0° |
| HC71 | C7 | C9 | C10 | 179.9° | 180.0° |
| HC71 | C7 | C9 | HC91 | 0.0° | 0.2° |
| C8 | C10 | C9 | O3 | 180.0° | 180.0° |
| C8 | C10 | C9 | HC91 | 179.7° | 179.9° |
| C8 | C10 | O3 | C28 | 165.0° | 180.0° |
| C9 | C10 | O3 | C28 | 14.9° | 0.0° |
| HC91 | C9 | C10 | O3 | 0.2° | 0.1° |
| C10 | O3 | C28 | C29 | 101.6° | 180.0° |
| C10 | O3 | C28 | H281 | 18.0° | 60.0° |
| C10 | O3 | C28 | H282 | 138.4° | 60.0° |
| O3 | C28 | C29 | H281 | 119.6° | 120.0° |
| O3 | C28 | C29 | H282 | 120.0° | 120.0° |
| O3 | C28 | H281 | H282 | 119.7° | 120.1° |
| O3 | C28 | C29 | O7 | 145.0° | 180.0° |
| O3 | C28 | C29 | O8 | 35.4° | 0.0° |
| H111 | C11 | H112 | H113 | 120.0° | 119.9° |
| C12 | C13 | H131 | H132 | 120.0° | 120.0° |
| C12 | C13 | H131 | H133 | 120.0° | 120.0° |
| C12 | C13 | H132 | H133 | 120.0° | 120.0° |
| O4 | C12 | C13 | H131 | 55.4° | 90.0° |
| O4 | C12 | C13 | H132 | 64.6° | 30.0° |
| O4 | C12 | C13 | H133 | 175.4° | 150.0° |
| H131 | C13 | H132 | H133 | 120.0° | 120.0° |
| O5 | C17 | C16 | C15 | 175.8° | 179.7° |
| O5 | C17 | C16 | C18 | 178.5° | 179.9° |
| O5 | C17 | C16 | C27 | 6.9° | 0.1° |
| O5 | C17 | C18 | C19 | 169.5° | 179.9° |
| O5 | C17 | C18 | H181 | 10.5° | 0.0° |
| C17 | O5 | C20 | C21 | 117.3° | 179.9° |
| C17 | O5 | C20 | H201 | 2.2° | 60.0° |
| C17 | O5 | C20 | H202 | 122.7° | 60.1° |
| C20 | O5 | C17 | C16 | 170.4° | 180.0° |
| C20 | O5 | C17 | C18 | 11.2° | 0.1° |
| O5 | C20 | C21 | H201 | 119.4° | 120.0° |
| O5 | C20 | C21 | H202 | 120.0° | 119.9° |
| O5 | C20 | H201 | H202 | 119.6° | 120.0° |
| O5 | C20 | C21 | C22 | 154.7° | 175.1° |
| O5 | C20 | C21 | C26 | 35.2° | 65.0° |
| O5 | C20 | C21 | H211 | 84.8° | 55.0° |
| C14 | C15 | C16 | H151 | 180.0° | 179.5° |
| C14 | C15 | C16 | C17 | 0.7° | 0.5° |
| C14 | C15 | C16 | C27 | 176.8° | 179.7° |
| C15 | C14 | C19 | C18 | 7.9° | 0.3° |
| C15 | C14 | C19 | H191 | 172.1° | 179.7° |
| C19 | C14 | C15 | C16 | 1.6° | 0.5° |
| C19 | C14 | C15 | H151 | 178.4° | 180.0° |
| C14 | C19 | C18 | C17 | 13.4° | 0.0° |
| C14 | C19 | C18 | H191 | 180.0° | 180.0° |
| C14 | C19 | C18 | H181 | 166.6° | 180.0° |
| C15 | C16 | C17 | C27 | 177.4° | 179.8° |
| C15 | C16 | C17 | C18 | 5.8° | 0.2° |
| C15 | C16 | C27 | N3 | 157.2° | 0.2° |
| C15 | C16 | C27 | O6 | 21.7° | 179.8° |
| H151 | C15 | C16 | C17 | 179.3° | 180.0° |
| H151 | C15 | C16 | C27 | 3.2° | 0.2° |
| C16 | C17 | C18 | C19 | 12.1° | 0.0° |
| C16 | C17 | C18 | H181 | 168.0° | 180.0° |
| C17 | C16 | C27 | N3 | 25.4° | 180.0° |
| C17 | C16 | C27 | O6 | 155.7° | 0.1° |
| C27 | C16 | C17 | C18 | 171.6° | 179.9° |
| C16 | C27 | N3 | O6 | 178.8° | 179.9° |
| C16 | C27 | N3 | HN31 | 0.0° | 0.0° |
| C16 | C27 | N3 | HN32 | 180.0° | 180.0° |
| C17 | C18 | C19 | H181 | 180.0° | 179.9° |
| C17 | C18 | C19 | H191 | 166.6° | 180.0° |
| H181 | C18 | C19 | H191 | 13.4° | 0.0° |
| C21 | C20 | H201 | H202 | 119.7° | 120.0° |
| C20 | C21 | C22 | C26 | 119.7° | 119.9° |
| C20 | C21 | C22 | H211 | 120.3° | 120.1° |
| C20 | C21 | C26 | H211 | 120.4° | 120.0° |
| C20 | C21 | C22 | C23 | 179.8° | 180.0° |
| C20 | C21 | C22 | H221 | 60.3° | 60.1° |
| C20 | C21 | C22 | H222 | 59.8° | 60.0° |
| C20 | C21 | C26 | C25 | 179.7° | 180.0° |
| C20 | C21 | C26 | H261 | 59.8° | 60.0° |
| C20 | C21 | C26 | H262 | 60.3° | 60.0° |
| H201 | C20 | C21 | C22 | 35.3° | 55.1° |
| H201 | C20 | C21 | C26 | 84.3° | 175.0° |
| H201 | C20 | C21 | H211 | 155.8° | 65.0° |
| H202 | C20 | C21 | C22 | 85.3° | 65.0° |
| H202 | C20 | C21 | C26 | 155.2° | 55.0° |
| H202 | C20 | C21 | H211 | 35.2° | 174.9° |
| C22 | C21 | C26 | H211 | 120.5° | 120.1° |
| C21 | C22 | C23 | H221 | 119.9° | 119.9° |
| C21 | C22 | C23 | H222 | 120.0° | 120.0° |
| C21 | C22 | H221 | H222 | 119.9° | 120.0° |
| C21 | C22 | C23 | C24 | 57.1° | 60.0° |
| C21 | C22 | C23 | H231 | 176.9° | 60.0° |
| C21 | C22 | C23 | H232 | 62.9° | 180.0° |
| C22 | C21 | C26 | C25 | 61.2° | 60.0° |
| C22 | C21 | C26 | H261 | 178.9° | 59.9° |
| C22 | C21 | C26 | H262 | 58.8° | 180.0° |
| C26 | C21 | C22 | C23 | 60.5° | 60.1° |
| C26 | C21 | C22 | H221 | 59.4° | 180.0° |
| C26 | C21 | C22 | H222 | 179.6° | 60.0° |
| C21 | C26 | C25 | C24 | 58.6° | 60.0° |
| C21 | C26 | C25 | H261 | 119.9° | 120.0° |
| C21 | C26 | C25 | H262 | 120.0° | 120.0° |
| C21 | C26 | C25 | H251 | 178.6° | 60.0° |
| C21 | C26 | C25 | H252 | 61.4° | 180.0° |
| C21 | C26 | H261 | H262 | 120.0° | 120.1° |
| H211 | C21 | C22 | C23 | 59.5° | 59.9° |
| H211 | C21 | C22 | H221 | 179.4° | 60.0° |
| H211 | C21 | C22 | H222 | 60.5° | 180.0° |
| H211 | C21 | C26 | C25 | 59.4° | 60.0° |
| H211 | C21 | C26 | H261 | 60.5° | 180.0° |
| H211 | C21 | C26 | H262 | 179.4° | 60.0° |
| C23 | C22 | H221 | H222 | 119.9° | 120.0° |
| C22 | C23 | C24 | H231 | 119.8° | 120.0° |
| C22 | C23 | C24 | H232 | 120.0° | 120.0° |
| C22 | C23 | H231 | H232 | 119.8° | 120.0° |
| C22 | C23 | C24 | C25 | 55.9° | 60.0° |
| C22 | C23 | C24 | H241 | 62.9° | 180.0° |
| C22 | C23 | C24 | H242 | 175.9° | 60.0° |
| H221 | C22 | C23 | C24 | 62.8° | 180.0° |
| H221 | C22 | C23 | H231 | 57.0° | 60.0° |
| H221 | C22 | C23 | H232 | 177.2° | 60.0° |
| H222 | C22 | C23 | C24 | 177.1° | 60.0° |
| H222 | C22 | C23 | H231 | 63.2° | 180.0° |
| H222 | C22 | C23 | H232 | 57.0° | 60.0° |
| C24 | C23 | H231 | H232 | 119.9° | 120.0° |
| C23 | C24 | C25 | H241 | 118.7° | 119.9° |
| C23 | C24 | C25 | H242 | 120.0° | 120.0° |
| C23 | C24 | H241 | H242 | 119.2° | 119.9° |
| C23 | C24 | C25 | C26 | 56.3° | 60.0° |
| C23 | C24 | C25 | H251 | 176.3° | 60.0° |
| C23 | C24 | C25 | H252 | 63.7° | 179.9° |
| H231 | C23 | C24 | C25 | 175.7° | 60.0° |
| H231 | C23 | C24 | H241 | 56.9° | 60.0° |
| H231 | C23 | C24 | H242 | 64.4° | 180.0° |
| H232 | C23 | C24 | C25 | 64.1° | 180.0° |
| H232 | C23 | C24 | H241 | 177.1° | 60.0° |
| H232 | C23 | C24 | H242 | 55.9° | 60.0° |
| C25 | C24 | H241 | H242 | 119.2° | 120.1° |
| C24 | C25 | C26 | H251 | 120.0° | 120.0° |
| C24 | C25 | C26 | H252 | 120.0° | 120.0° |
| C24 | C25 | H251 | H252 | 120.0° | 120.0° |
| C24 | C25 | C26 | H261 | 178.5° | 60.0° |
| C24 | C25 | C26 | H262 | 61.5° | 180.0° |
| H241 | C24 | C25 | C26 | 62.4° | 179.9° |
| H241 | C24 | C25 | H251 | 57.6° | 59.9° |
| H241 | C24 | C25 | H252 | 177.6° | 60.0° |
| H242 | C24 | C25 | C26 | 176.4° | 60.0° |
| H242 | C24 | C25 | H251 | 63.6° | 180.0° |
| H242 | C24 | C25 | H252 | 56.4° | 60.1° |
| C26 | C25 | H251 | H252 | 120.0° | 120.0° |
| C25 | C26 | H261 | H262 | 119.9° | 120.0° |
| H251 | C25 | C26 | H261 | 61.5° | 180.0° |
| H251 | C25 | C26 | H262 | 58.5° | 60.0° |
| H252 | C25 | C26 | H261 | 58.5° | 60.0° |
| H252 | C25 | C26 | H262 | 178.5° | 59.9° |
| C27 | N3 | HN31 | HN32 | 180.0° | 180.0° |
| O6 | C27 | N3 | HN31 | 178.9° | 179.9° |
| O6 | C27 | N3 | HN32 | 1.2° | 0.0° |
| C29 | C28 | H281 | H282 | 119.8° | 119.9° |
| C28 | C29 | O7 | O8 | 179.6° | 180.0° |
| C28 | C29 | O8 | HXT | 179.6° | 1.8° |
| H281 | C28 | C29 | O7 | 95.4° | 60.0° |
| H281 | C28 | C29 | O8 | 84.2° | 120.0° |
| H282 | C28 | C29 | O7 | 25.0° | 60.0° |
| H282 | C28 | C29 | O8 | 155.4° | 120.0° |
| O7 | C29 | O8 | HXT | 0.0° | 178.2° |
