CC1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N1 | sing | 1.47Å | 1.44Å | |
| C1 | C11 | sing | 1.53Å | 1.56Å | |
| C1 | C14 | sing | 1.52Å | 1.53Å | |
| C1 | HC11 | sing | 1.09Å | 1.12Å | |
| N1 | C2 | sing | 1.35Å | 1.35Å | |
| N1 | HN11 | sing | 0.97Å | 1.02Å | |
| C2 | CO | sing | 1.51Å | 1.51Å | |
| C2 | O3 | doub | 1.21Å | 1.20Å | |
| CO | N2 | sing | 1.47Å | 1.46Å | |
| CO | C4 | sing | 1.53Å | 1.54Å | |
| CO | HCO1 | sing | 1.09Å | 1.12Å | |
| N2 | C12 | sing | 1.35Å | 1.35Å | |
| N2 | HN21 | sing | 0.97Å | 1.02Å | |
| C12 | C13 | sing | 1.51Å | 1.52Å | |
| C12 | O4 | doub | 1.21Å | 1.25Å | |
| C13 | H131 | sing | 1.09Å | 1.12Å | |
| C13 | H132 | sing | 1.09Å | 1.11Å | |
| C13 | H133 | sing | 1.09Å | 1.11Å | |
| C4 | C5 | sing | 1.51Å | 1.52Å | |
| C4 | HC41 | sing | 1.09Å | 1.11Å | |
| C4 | HC42 | sing | 1.09Å | 1.11Å | |
| C5 | C6 | doub | 1.38Å | 1.41Å | Aromatic |
| C5 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | C8 | sing | 1.38Å | 1.43Å | Aromatic |
| C6 | HC61 | sing | 1.08Å | 1.10Å | |
| C8 | P2 | sing | 1.81Å | 1.86Å | |
| C8 | C10 | doub | 1.38Å | 1.43Å | Aromatic |
| P2 | OR1 | sing | 1.61Å | 1.49Å | |
| P2 | OR2 | doub | 1.48Å | 1.49Å | |
| P2 | OR3 | sing | 1.61Å | 1.49Å | |
| OR1 | HR11 | sing | 0.97Å | 0.95Å | |
| OR3 | HR31 | sing | 0.97Å | 0.95Å | |
| C10 | P1 | sing | 1.81Å | 1.85Å | |
| C10 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| P1 | OR4 | sing | 1.61Å | 1.49Å | |
| P1 | OR5 | sing | 1.61Å | 1.49Å | |
| P1 | OR6 | doub | 1.48Å | 1.48Å | |
| OR4 | HR41 | sing | 0.97Å | 0.95Å | |
| OR5 | HR51 | sing | 0.97Å | 0.95Å | |
| C9 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C9 | HC91 | sing | 1.08Å | 1.10Å | |
| C7 | HC71 | sing | 1.08Å | 1.10Å | |
| C11 | C30 | sing | 1.52Å | 1.57Å | |
| C11 | H111 | sing | 1.09Å | 1.12Å | |
| C11 | H112 | sing | 1.09Å | 1.11Å | |
| C30 | C28 | sing | 1.52Å | 1.56Å | |
| C30 | H301 | sing | 1.09Å | 1.12Å | |
| C30 | H302 | sing | 1.09Å | 1.11Å | |
| C28 | C31 | sing | 1.53Å | 1.57Å | |
| C28 | H281 | sing | 1.09Å | 1.12Å | |
| C28 | H282 | sing | 1.09Å | 1.12Å | |
| C31 | C19 | sing | 1.51Å | 1.54Å | |
| C31 | H311 | sing | 1.09Å | 1.11Å | |
| C31 | H312 | sing | 1.09Å | 1.12Å | |
| C19 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C14 | sing | 1.38Å | 1.42Å | Aromatic |
| C18 | C17 | sing | 1.39Å | 1.41Å | Aromatic |
| C18 | H181 | sing | 1.08Å | 1.10Å | |
| C17 | O5 | sing | 1.36Å | 1.39Å | |
| C17 | C16 | doub | 1.40Å | 1.42Å | Aromatic |
| O5 | C20 | sing | 1.43Å | 1.45Å | |
| C20 | C21 | sing | 1.53Å | 1.54Å | |
| C20 | H201 | sing | 1.09Å | 1.11Å | |
| C20 | H202 | sing | 1.09Å | 1.12Å | |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| C21 | C26 | sing | 1.53Å | 1.56Å | |
| C21 | H211 | sing | 1.09Å | 1.11Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C22 | H221 | sing | 1.09Å | 1.12Å | |
| C22 | H222 | sing | 1.09Å | 1.12Å | |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| C23 | H231 | sing | 1.09Å | 1.11Å | |
| C23 | H232 | sing | 1.09Å | 1.12Å | |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| C24 | H241 | sing | 1.09Å | 1.12Å | |
| C24 | H242 | sing | 1.09Å | 1.12Å | |
| C25 | C26 | sing | 1.53Å | 1.54Å | |
| C25 | H251 | sing | 1.09Å | 1.11Å | |
| C25 | H252 | sing | 1.09Å | 1.11Å | |
| C26 | H261 | sing | 1.09Å | 1.12Å | |
| C26 | H262 | sing | 1.09Å | 1.11Å | |
| C16 | C15 | sing | 1.40Å | 1.42Å | Aromatic |
| C16 | C27 | sing | 1.48Å | 1.53Å | |
| C15 | C14 | doub | 1.38Å | 1.41Å | Aromatic |
| C15 | H151 | sing | 1.08Å | 1.10Å | |
| C27 | N3 | sing | 1.35Å | 1.35Å | |
| C27 | O6 | doub | 1.22Å | 1.21Å | |
| N3 | HN31 | sing | 0.97Å | 1.02Å | |
| N3 | HN32 | sing | 0.97Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C1 | C11 | 104.5° | 109.6° |
| N1 | C1 | C14 | 115.7° | 109.6° |
| N1 | C1 | HC11 | 107.2° | 109.7° |
| C1 | N1 | C2 | 125.1° | 119.9° |
| C1 | N1 | HN11 | 121.2° | 120.0° |
| C11 | C1 | C14 | 103.9° | 108.6° |
| C11 | C1 | HC11 | 118.3° | 109.6° |
| C1 | C11 | C30 | 117.7° | 111.0° |
| C1 | C11 | H111 | 109.2° | 109.3° |
| C1 | C11 | H112 | 109.3° | 109.2° |
| C14 | C1 | HC11 | 107.7° | 109.6° |
| C1 | C14 | C19 | 120.0° | 119.9° |
| C1 | C14 | C15 | 120.7° | 119.5° |
| C2 | N1 | HN11 | 113.7° | 120.0° |
| N1 | C2 | CO | 116.1° | 119.9° |
| N1 | C2 | O3 | 124.0° | 120.0° |
| CO | C2 | O3 | 119.6° | 120.1° |
| C2 | CO | N2 | 112.0° | 109.4° |
| C2 | CO | C4 | 107.7° | 109.5° |
| C2 | CO | HCO1 | 109.3° | 109.5° |
| N2 | CO | C4 | 110.6° | 109.4° |
| N2 | CO | HCO1 | 106.4° | 109.5° |
| CO | N2 | C12 | 120.9° | 120.0° |
| CO | N2 | HN21 | 123.3° | 120.0° |
| C4 | CO | HCO1 | 110.8° | 109.5° |
| CO | C4 | C5 | 107.0° | 109.5° |
| CO | C4 | HC41 | 113.1° | 109.5° |
| CO | C4 | HC42 | 113.1° | 109.5° |
| C12 | N2 | HN21 | 115.8° | 120.0° |
| N2 | C12 | C13 | 116.4° | 120.0° |
| N2 | C12 | O4 | 124.1° | 119.9° |
| C13 | C12 | O4 | 119.6° | 120.0° |
| C12 | C13 | H131 | 116.3° | 109.4° |
| C12 | C13 | H132 | 109.7° | 109.5° |
| C12 | C13 | H133 | 109.7° | 109.4° |
| H131 | C13 | H132 | 109.7° | 109.5° |
| H131 | C13 | H133 | 109.7° | 109.5° |
| H132 | C13 | H133 | 100.5° | 109.5° |
| C5 | C4 | HC41 | 113.2° | 109.5° |
| C5 | C4 | HC42 | 113.2° | 109.5° |
| C4 | C5 | C6 | 122.1° | 120.0° |
| C4 | C5 | C7 | 118.7° | 120.0° |
| HC41 | C4 | HC42 | 97.3° | 109.4° |
| C6 | C5 | C7 | 119.2° | 120.0° |
| C5 | C6 | C8 | 120.3° | 120.0° |
| C5 | C6 | HC61 | 119.2° | 120.0° |
| C5 | C7 | C9 | 121.0° | 120.0° |
| C5 | C7 | HC71 | 119.3° | 120.0° |
| C8 | C6 | HC61 | 120.6° | 120.1° |
| C6 | C8 | P2 | 117.9° | 120.0° |
| C6 | C8 | C10 | 119.7° | 120.1° |
| P2 | C8 | C10 | 122.3° | 120.0° |
| C8 | P2 | OR1 | 109.3° | 109.4° |
| C8 | P2 | OR2 | 110.6° | 109.5° |
| C8 | P2 | OR3 | 108.9° | 109.5° |
| C8 | C10 | P1 | 122.8° | 120.0° |
| C8 | C10 | C9 | 118.4° | 120.0° |
| OR1 | P2 | OR2 | 108.4° | 109.5° |
| OR1 | P2 | OR3 | 110.3° | 109.5° |
| P2 | OR1 | HR11 | 109.2° | 106.8° |
| OR2 | P2 | OR3 | 109.4° | 109.5° |
| P2 | OR3 | HR31 | 108.9° | 106.8° |
| P1 | C10 | C9 | 118.8° | 120.0° |
| C10 | P1 | OR4 | 110.2° | 109.4° |
| C10 | P1 | OR5 | 108.7° | 109.5° |
| C10 | P1 | OR6 | 109.5° | 109.5° |
| C10 | C9 | C7 | 121.3° | 120.0° |
| C10 | C9 | HC91 | 119.3° | 120.0° |
| OR4 | P1 | OR5 | 109.8° | 109.4° |
| OR4 | P1 | OR6 | 109.3° | 109.4° |
| P1 | OR4 | HR41 | 110.3° | 106.8° |
| OR5 | P1 | OR6 | 109.2° | 109.5° |
| P1 | OR5 | HR51 | 108.7° | 106.8° |
| C7 | C9 | HC91 | 119.4° | 120.0° |
| C9 | C7 | HC71 | 119.7° | 120.0° |
| C30 | C11 | H111 | 109.2° | 109.2° |
| C30 | C11 | H112 | 109.2° | 109.1° |
| C11 | C30 | C28 | 113.3° | 114.4° |
| C11 | C30 | H301 | 110.8° | 108.5° |
| C11 | C30 | H302 | 110.8° | 108.5° |
| H111 | C11 | H112 | 100.9° | 109.1° |
| C28 | C30 | H301 | 110.8° | 108.5° |
| C28 | C30 | H302 | 110.8° | 108.5° |
| C30 | C28 | C31 | 114.5° | 111.0° |
| C30 | C28 | H281 | 110.4° | 109.2° |
| C30 | C28 | H282 | 110.3° | 109.2° |
| H301 | C30 | H302 | 99.4° | 108.3° |
| C31 | C28 | H281 | 110.4° | 109.2° |
| C31 | C28 | H282 | 110.4° | 109.2° |
| C28 | C31 | C19 | 117.7° | 108.5° |
| C28 | C31 | H311 | 109.2° | 109.6° |
| C28 | C31 | H312 | 109.2° | 109.6° |
| H281 | C28 | H282 | 99.8° | 109.2° |
| C19 | C31 | H311 | 109.2° | 109.7° |
| C19 | C31 | H312 | 109.3° | 109.7° |
| C31 | C19 | C18 | 116.9° | 119.3° |
| C31 | C19 | C14 | 123.9° | 120.2° |
| H311 | C31 | H312 | 100.9° | 109.8° |
| C18 | C19 | C14 | 119.2° | 120.5° |
| C19 | C18 | C17 | 122.2° | 119.9° |
| C19 | C18 | H181 | 118.3° | 120.1° |
| C19 | C14 | C15 | 119.3° | 120.6° |
| C17 | C18 | H181 | 119.5° | 120.0° |
| C18 | C17 | O5 | 120.1° | 120.2° |
| C18 | C17 | C16 | 119.2° | 119.6° |
| O5 | C17 | C16 | 120.7° | 120.2° |
| C17 | O5 | C20 | 119.7° | 106.8° |
| C17 | C16 | C15 | 118.9° | 119.7° |
| C17 | C16 | C27 | 120.8° | 120.1° |
| O5 | C20 | C21 | 115.2° | 109.5° |
| O5 | C20 | H201 | 110.1° | 109.4° |
| O5 | C20 | H202 | 110.1° | 109.6° |
| C21 | C20 | H201 | 110.1° | 109.5° |
| C21 | C20 | H202 | 110.1° | 109.4° |
| C20 | C21 | C22 | 111.2° | 109.5° |
| C20 | C21 | C26 | 110.2° | 109.5° |
| C20 | C21 | H211 | 107.8° | 109.5° |
| H201 | C20 | H202 | 100.1° | 109.5° |
| C22 | C21 | C26 | 109.6° | 109.5° |
| C22 | C21 | H211 | 108.4° | 109.5° |
| C21 | C22 | C23 | 110.2° | 109.5° |
| C21 | C22 | H221 | 112.0° | 109.5° |
| C21 | C22 | H222 | 111.9° | 109.5° |
| C26 | C21 | H211 | 109.5° | 109.5° |
| C21 | C26 | C25 | 111.2° | 109.5° |
| C21 | C26 | H261 | 111.5° | 109.5° |
| C21 | C26 | H262 | 111.6° | 109.4° |
| C23 | C22 | H221 | 111.9° | 109.5° |
| C23 | C22 | H222 | 111.9° | 109.5° |
| C22 | C23 | C24 | 111.0° | 109.5° |
| C22 | C23 | H231 | 111.6° | 109.5° |
| C22 | C23 | H232 | 111.6° | 109.5° |
| H221 | C22 | H222 | 98.4° | 109.5° |
| C24 | C23 | H231 | 111.7° | 109.4° |
| C24 | C23 | H232 | 111.6° | 109.5° |
| C23 | C24 | C25 | 111.2° | 109.5° |
| C23 | C24 | H241 | 111.6° | 109.5° |
| C23 | C24 | H242 | 111.5° | 109.4° |
| H231 | C23 | H232 | 98.7° | 109.4° |
| C25 | C24 | H241 | 111.6° | 109.5° |
| C25 | C24 | H242 | 111.6° | 109.5° |
| C24 | C25 | C26 | 111.4° | 109.4° |
| C24 | C25 | H251 | 111.5° | 109.5° |
| C24 | C25 | H252 | 111.5° | 109.5° |
| H241 | C24 | H242 | 98.8° | 109.4° |
| C26 | C25 | H251 | 111.5° | 109.4° |
| C26 | C25 | H252 | 111.5° | 109.5° |
| C25 | C26 | H261 | 111.6° | 109.5° |
| C25 | C26 | H262 | 111.5° | 109.5° |
| H251 | C25 | H252 | 98.9° | 109.5° |
| H261 | C26 | H262 | 98.8° | 109.5° |
| C15 | C16 | C27 | 120.3° | 120.2° |
| C16 | C15 | C14 | 121.2° | 119.7° |
| C16 | C15 | H151 | 119.8° | 120.2° |
| C16 | C27 | N3 | 121.5° | 120.0° |
| C16 | C27 | O6 | 117.6° | 120.0° |
| C14 | C15 | H151 | 119.0° | 120.1° |
| N3 | C27 | O6 | 120.8° | 120.0° |
| C27 | N3 | HN31 | 120.8° | 120.0° |
| C27 | N3 | HN32 | 121.5° | 120.0° |
| HN31 | N3 | HN32 | 117.7° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | C11 | C14 | 121.7° | 119.7° |
| N1 | C1 | C11 | HC11 | 119.0° | 120.5° |
| N1 | C1 | C14 | HC11 | 119.8° | 120.5° |
| C1 | N1 | C2 | HN11 | 180.0° | 179.9° |
| C1 | N1 | C2 | CO | 177.4° | 180.0° |
| C1 | N1 | C2 | O3 | 8.6° | 0.0° |
| N1 | C1 | C11 | C30 | 179.9° | 34.0° |
| N1 | C1 | C11 | H111 | 54.9° | 154.4° |
| N1 | C1 | C11 | H112 | 54.6° | 86.3° |
| N1 | C1 | C14 | C19 | 170.2° | 49.3° |
| N1 | C1 | C14 | C15 | 9.9° | 131.2° |
| C11 | C1 | C14 | HC11 | 126.3° | 119.8° |
| C11 | C1 | N1 | C2 | 179.5° | 160.9° |
| C11 | C1 | N1 | HN11 | 0.5° | 19.1° |
| C1 | C11 | C30 | H111 | 125.2° | 120.5° |
| C1 | C11 | C30 | H112 | 125.3° | 120.3° |
| C1 | C11 | H111 | H112 | 115.0° | 119.3° |
| C1 | C11 | C30 | C28 | 30.3° | 68.2° |
| C1 | C11 | C30 | H301 | 155.6° | 170.5° |
| C1 | C11 | C30 | H302 | 95.0° | 53.0° |
| C11 | C1 | C14 | C19 | 75.9° | 70.5° |
| C11 | C1 | C14 | C15 | 104.1° | 109.0° |
| C14 | C1 | N1 | C2 | 66.9° | 80.0° |
| C14 | C1 | N1 | HN11 | 113.1° | 100.0° |
| C14 | C1 | C11 | C30 | 58.2° | 85.8° |
| C14 | C1 | C11 | H111 | 176.6° | 34.7° |
| C14 | C1 | C11 | H112 | 67.1° | 153.9° |
| C1 | C14 | C19 | C31 | 0.0° | 0.3° |
| C1 | C14 | C19 | C18 | 179.9° | 179.9° |
| C1 | C14 | C19 | C15 | 180.0° | 179.5° |
| C1 | C14 | C15 | C16 | 179.8° | 179.8° |
| C1 | C14 | C15 | H151 | 0.2° | 0.2° |
| HC11 | C1 | N1 | C2 | 53.2° | 40.4° |
| HC11 | C1 | N1 | HN11 | 126.8° | 139.5° |
| HC11 | C1 | C11 | C30 | 61.1° | 154.4° |
| HC11 | C1 | C11 | H111 | 64.1° | 85.1° |
| HC11 | C1 | C11 | H112 | 173.6° | 34.1° |
| HC11 | C1 | C14 | C19 | 50.4° | 169.7° |
| HC11 | C1 | C14 | C15 | 129.7° | 10.8° |
| N1 | C2 | CO | O3 | 174.3° | 180.0° |
| N1 | C2 | CO | N2 | 128.6° | 150.0° |
| N1 | C2 | CO | C4 | 109.5° | 90.0° |
| N1 | C2 | CO | HCO1 | 10.9° | 30.1° |
| HN11 | N1 | C2 | CO | 2.6° | 0.0° |
| HN11 | N1 | C2 | O3 | 171.4° | 180.0° |
| C2 | CO | N2 | C4 | 120.2° | 120.0° |
| C2 | CO | N2 | HCO1 | 119.4° | 120.0° |
| C2 | CO | C4 | HCO1 | 119.5° | 120.1° |
| C2 | CO | N2 | C12 | 66.3° | 60.0° |
| C2 | CO | N2 | HN21 | 113.7° | 120.0° |
| C2 | CO | C4 | C5 | 177.5° | 180.0° |
| C2 | CO | C4 | HC41 | 57.2° | 59.9° |
| C2 | CO | C4 | HC42 | 52.2° | 60.0° |
| O3 | C2 | CO | N2 | 45.6° | 30.0° |
| O3 | C2 | CO | C4 | 76.2° | 90.0° |
| O3 | C2 | CO | HCO1 | 163.3° | 150.0° |
| N2 | CO | C4 | HCO1 | 117.7° | 120.0° |
| CO | N2 | C12 | HN21 | 180.0° | 180.0° |
| CO | N2 | C12 | C13 | 179.9° | 180.0° |
| CO | N2 | C12 | O4 | 0.0° | 0.1° |
| N2 | CO | C4 | C5 | 59.8° | 60.0° |
| N2 | CO | C4 | HC41 | 65.5° | 60.0° |
| N2 | CO | C4 | HC42 | 174.9° | 179.9° |
| C4 | CO | N2 | C12 | 173.5° | 60.0° |
| C4 | CO | N2 | HN21 | 6.5° | 120.0° |
| CO | C4 | C5 | HC41 | 125.3° | 120.0° |
| CO | C4 | C5 | HC42 | 125.2° | 120.0° |
| CO | C4 | HC41 | HC42 | 119.0° | 120.0° |
| CO | C4 | C5 | C6 | 101.7° | 90.2° |
| CO | C4 | C5 | C7 | 78.4° | 90.0° |
| HCO1 | CO | N2 | C12 | 53.1° | 180.0° |
| HCO1 | CO | N2 | HN21 | 126.9° | 0.0° |
| HCO1 | CO | C4 | C5 | 57.9° | 60.0° |
| HCO1 | CO | C4 | HC41 | 176.8° | 180.0° |
| HCO1 | CO | C4 | HC42 | 67.3° | 60.1° |
| N2 | C12 | C13 | O4 | 179.9° | 179.9° |
| N2 | C12 | C13 | H131 | 180.0° | 180.0° |
| N2 | C12 | C13 | H132 | 54.8° | 60.0° |
| N2 | C12 | C13 | H133 | 54.8° | 60.0° |
| HN21 | N2 | C12 | C13 | 0.1° | 0.0° |
| HN21 | N2 | C12 | O4 | 180.0° | 179.9° |
| C12 | C13 | H131 | H132 | 125.2° | 120.0° |
| C12 | C13 | H131 | H133 | 125.3° | 120.0° |
| C12 | C13 | H132 | H133 | 115.5° | 120.0° |
| O4 | C12 | C13 | H131 | 0.1° | 0.0° |
| O4 | C12 | C13 | H132 | 125.4° | 120.1° |
| O4 | C12 | C13 | H133 | 125.1° | 119.9° |
| H131 | C13 | H132 | H133 | 115.5° | 120.1° |
| C5 | C4 | HC41 | HC42 | 119.1° | 120.0° |
| C4 | C5 | C6 | C7 | 179.9° | 179.7° |
| C4 | C5 | C6 | C8 | 179.8° | 179.8° |
| C4 | C5 | C6 | HC61 | 0.3° | 0.2° |
| C4 | C5 | C7 | C9 | 179.8° | 179.9° |
| C4 | C5 | C7 | HC71 | 0.2° | 0.0° |
| HC41 | C4 | C5 | C6 | 23.6° | 149.7° |
| HC41 | C4 | C5 | C7 | 156.3° | 30.0° |
| HC42 | C4 | C5 | C6 | 133.1° | 29.8° |
| HC42 | C4 | C5 | C7 | 46.8° | 149.9° |
| C5 | C6 | C8 | HC61 | 179.9° | 179.5° |
| C5 | C6 | C8 | P2 | 179.9° | 179.7° |
| C5 | C6 | C8 | C10 | 0.2° | 0.4° |
| C6 | C5 | C7 | C9 | 0.1° | 0.3° |
| C6 | C5 | C7 | HC71 | 179.9° | 179.8° |
| C7 | C5 | C6 | C8 | 0.1° | 0.5° |
| C7 | C5 | C6 | HC61 | 179.8° | 180.0° |
| C5 | C7 | C9 | C10 | 0.0° | 0.1° |
| C5 | C7 | C9 | HC71 | 180.0° | 179.9° |
| C5 | C7 | C9 | HC91 | 180.0° | 180.0° |
| C6 | C8 | P2 | C10 | 179.9° | 179.9° |
| C6 | C8 | P2 | OR1 | 67.1° | 96.6° |
| C6 | C8 | P2 | OR2 | 173.6° | 143.4° |
| C6 | C8 | P2 | OR3 | 53.4° | 23.4° |
| C6 | C8 | C10 | P1 | 180.0° | 179.8° |
| C6 | C8 | C10 | C9 | 0.2° | 0.2° |
| HC61 | C6 | C8 | P2 | 0.1° | 0.2° |
| HC61 | C6 | C8 | C10 | 179.8° | 180.0° |
| C8 | P2 | OR1 | OR2 | 120.7° | 120.0° |
| C8 | P2 | OR1 | OR3 | 119.6° | 120.0° |
| C8 | P2 | OR2 | OR3 | 119.9° | 120.0° |
| C8 | P2 | OR1 | HR11 | 180.0° | 180.0° |
| C8 | P2 | OR3 | HR31 | 180.0° | 60.0° |
| P2 | C8 | C10 | P1 | 0.1° | 0.1° |
| P2 | C8 | C10 | C9 | 180.0° | 180.0° |
| C10 | C8 | P2 | OR1 | 113.0° | 83.3° |
| C10 | C8 | P2 | OR2 | 6.3° | 36.7° |
| C10 | C8 | P2 | OR3 | 126.5° | 156.7° |
| C8 | C10 | P1 | C9 | 179.9° | 180.0° |
| C8 | C10 | P1 | OR4 | 59.6° | 83.0° |
| C8 | C10 | P1 | OR5 | 60.8° | 157.0° |
| C8 | C10 | P1 | OR6 | 180.0° | 36.9° |
| C8 | C10 | C9 | C7 | 0.1° | 0.0° |
| C8 | C10 | C9 | HC91 | 179.9° | 179.9° |
| OR1 | P2 | OR2 | OR3 | 120.3° | 120.0° |
| OR1 | P2 | OR3 | HR31 | 60.2° | 60.0° |
| OR2 | P2 | OR1 | HR11 | 59.4° | 60.0° |
| OR2 | P2 | OR3 | HR31 | 59.0° | 180.0° |
| OR3 | P2 | OR1 | HR11 | 60.4° | 60.0° |
| C10 | P1 | OR4 | OR5 | 119.8° | 120.0° |
| C10 | P1 | OR4 | OR6 | 120.5° | 120.0° |
| C10 | P1 | OR5 | OR6 | 119.4° | 120.0° |
| C10 | P1 | OR4 | HR41 | 179.9° | 180.0° |
| C10 | P1 | OR5 | HR51 | 180.0° | 64.7° |
| P1 | C10 | C9 | C7 | 180.0° | 180.0° |
| P1 | C10 | C9 | HC91 | 0.0° | 0.1° |
| C9 | C10 | P1 | OR4 | 120.5° | 97.0° |
| C9 | C10 | P1 | OR5 | 119.1° | 23.0° |
| C9 | C10 | P1 | OR6 | 0.2° | 143.1° |
| C10 | C9 | C7 | HC91 | 180.0° | 179.9° |
| C10 | C9 | C7 | HC71 | 179.9° | 180.0° |
| OR4 | P1 | OR5 | OR6 | 119.9° | 120.0° |
| OR4 | P1 | OR5 | HR51 | 59.3° | 55.3° |
| OR5 | P1 | OR4 | HR41 | 60.3° | 60.0° |
| OR6 | P1 | OR4 | HR41 | 59.5° | 60.0° |
| OR6 | P1 | OR5 | HR51 | 60.5° | 175.3° |
| HC91 | C9 | C7 | HC71 | 0.1° | 0.1° |
| C30 | C11 | H111 | H112 | 114.9° | 119.2° |
| C11 | C30 | C28 | H301 | 125.3° | 121.3° |
| C11 | C30 | C28 | H302 | 125.3° | 121.2° |
| C11 | C30 | H301 | H302 | 116.7° | 117.6° |
| C11 | C30 | C28 | C31 | 73.9° | 68.2° |
| C11 | C30 | C28 | H281 | 51.5° | 52.2° |
| C11 | C30 | C28 | H282 | 160.9° | 171.5° |
| H111 | C11 | C30 | C28 | 94.9° | 52.3° |
| H111 | C11 | C30 | H301 | 30.3° | 69.0° |
| H111 | C11 | C30 | H302 | 139.8° | 173.5° |
| H112 | C11 | C30 | C28 | 155.6° | 171.5° |
| H112 | C11 | C30 | H301 | 79.1° | 50.2° |
| H112 | C11 | C30 | H302 | 30.3° | 67.3° |
| C28 | C30 | H301 | H302 | 116.7° | 117.6° |
| C30 | C28 | C31 | H281 | 125.3° | 120.4° |
| C30 | C28 | C31 | H282 | 125.3° | 120.4° |
| C30 | C28 | H281 | H282 | 116.2° | 119.3° |
| C30 | C28 | C31 | C19 | 14.6° | 85.7° |
| C30 | C28 | C31 | H311 | 139.9° | 154.6° |
| C30 | C28 | C31 | H312 | 110.7° | 34.0° |
| H301 | C30 | C28 | C31 | 160.9° | 170.5° |
| H301 | C30 | C28 | H281 | 73.8° | 69.1° |
| H301 | C30 | C28 | H282 | 35.6° | 50.2° |
| H302 | C30 | C28 | C31 | 51.4° | 53.1° |
| H302 | C30 | C28 | H281 | 176.8° | 173.4° |
| H302 | C30 | C28 | H282 | 73.8° | 67.3° |
| C31 | C28 | H281 | H282 | 116.2° | 119.3° |
| C28 | C31 | C19 | H311 | 125.3° | 119.7° |
| C28 | C31 | C19 | H312 | 125.2° | 119.7° |
| C28 | C31 | H311 | H312 | 114.9° | 120.5° |
| C28 | C31 | C19 | C18 | 136.9° | 109.4° |
| C28 | C31 | C19 | C14 | 43.2° | 70.9° |
| H281 | C28 | C31 | C19 | 110.7° | 34.7° |
| H281 | C28 | C31 | H311 | 14.6° | 85.0° |
| H281 | C28 | C31 | H312 | 124.0° | 154.4° |
| H282 | C28 | C31 | C19 | 139.9° | 154.0° |
| H282 | C28 | C31 | H311 | 94.8° | 34.2° |
| H282 | C28 | C31 | H312 | 14.6° | 86.3° |
| C19 | C31 | H311 | H312 | 115.0° | 120.6° |
| C31 | C19 | C18 | C14 | 179.9° | 179.8° |
| C31 | C19 | C18 | C17 | 179.8° | 180.0° |
| C31 | C19 | C18 | H181 | 0.2° | 0.0° |
| C31 | C19 | C14 | C15 | 180.0° | 179.8° |
| H311 | C31 | C19 | C18 | 97.8° | 10.3° |
| H311 | C31 | C19 | C14 | 82.1° | 169.5° |
| H312 | C31 | C19 | C18 | 11.7° | 130.9° |
| H312 | C31 | C19 | C14 | 168.4° | 48.8° |
| C19 | C18 | C17 | H181 | 180.0° | 180.0° |
| C19 | C18 | C17 | O5 | 179.8° | 179.9° |
| C19 | C18 | C17 | C16 | 0.2° | 0.1° |
| C18 | C19 | C14 | C15 | 0.1° | 0.4° |
| C14 | C19 | C18 | C17 | 0.3° | 0.2° |
| C14 | C19 | C18 | H181 | 179.7° | 179.8° |
| C19 | C14 | C15 | C16 | 0.1° | 0.3° |
| C19 | C14 | C15 | H151 | 179.8° | 179.7° |
| C18 | C17 | O5 | C16 | 179.9° | 179.9° |
| C18 | C17 | O5 | C20 | 0.2° | 0.1° |
| C18 | C17 | C16 | C15 | 0.0° | 0.1° |
| C18 | C17 | C16 | C27 | 179.9° | 180.0° |
| H181 | C18 | C17 | O5 | 0.2° | 0.0° |
| H181 | C18 | C17 | C16 | 179.8° | 179.9° |
| C17 | O5 | C20 | C21 | 119.9° | 179.9° |
| C17 | O5 | C20 | H201 | 114.8° | 60.1° |
| C17 | O5 | C20 | H202 | 5.3° | 59.9° |
| O5 | C17 | C16 | C15 | 179.9° | 180.0° |
| O5 | C17 | C16 | C27 | 0.1° | 0.1° |
| C16 | C17 | O5 | C20 | 179.9° | 180.0° |
| C17 | C16 | C15 | C27 | 179.8° | 179.9° |
| C17 | C16 | C15 | C14 | 0.2° | 0.1° |
| C17 | C16 | C15 | H151 | 179.8° | 180.0° |
| C17 | C16 | C27 | N3 | 23.2° | 179.9° |
| C17 | C16 | C27 | O6 | 156.5° | 0.1° |
| O5 | C20 | C21 | H201 | 125.3° | 119.9° |
| O5 | C20 | C21 | H202 | 125.3° | 120.1° |
| O5 | C20 | H201 | H202 | 115.9° | 120.1° |
| O5 | C20 | C21 | C22 | 122.4° | 179.9° |
| O5 | C20 | C21 | C26 | 0.6° | 60.1° |
| O5 | C20 | C21 | H211 | 118.9° | 59.9° |
| C21 | C20 | H201 | H202 | 115.9° | 120.0° |
| C20 | C21 | C22 | C26 | 122.2° | 120.0° |
| C20 | C21 | C22 | H211 | 118.4° | 120.0° |
| C20 | C21 | C26 | H211 | 118.5° | 120.0° |
| C20 | C21 | C22 | C23 | 179.2° | 180.0° |
| C20 | C21 | C22 | H221 | 53.9° | 60.0° |
| C20 | C21 | C22 | H222 | 55.5° | 60.0° |
| C20 | C21 | C26 | C25 | 179.8° | 180.0° |
| C20 | C21 | C26 | H261 | 55.0° | 60.0° |
| C20 | C21 | C26 | H262 | 54.5° | 60.0° |
| H201 | C20 | C21 | C22 | 112.3° | 60.0° |
| H201 | C20 | C21 | C26 | 125.8° | 180.0° |
| H201 | C20 | C21 | H211 | 6.4° | 60.0° |
| H202 | C20 | C21 | C22 | 2.9° | 60.0° |
| H202 | C20 | C21 | C26 | 124.7° | 60.0° |
| H202 | C20 | C21 | H211 | 115.9° | 180.0° |
| C22 | C21 | C26 | H211 | 118.8° | 120.0° |
| C21 | C22 | C23 | H221 | 125.3° | 120.0° |
| C21 | C22 | C23 | H222 | 125.3° | 120.0° |
| C21 | C22 | H221 | H222 | 117.8° | 120.0° |
| C21 | C22 | C23 | C24 | 58.4° | 59.9° |
| C21 | C22 | C23 | H231 | 66.9° | 60.0° |
| C21 | C22 | C23 | H232 | 176.4° | 180.0° |
| C22 | C21 | C26 | C25 | 57.5° | 60.0° |
| C22 | C21 | C26 | H261 | 67.8° | 60.0° |
| C22 | C21 | C26 | H262 | 177.3° | 180.0° |
| C26 | C21 | C22 | C23 | 58.6° | 60.0° |
| C26 | C21 | C22 | H221 | 176.1° | 180.0° |
| C26 | C21 | C22 | H222 | 66.7° | 60.0° |
| C21 | C26 | C25 | C24 | 55.3° | 60.0° |
| C21 | C26 | C25 | H261 | 125.2° | 120.0° |
| C21 | C26 | C25 | H262 | 125.3° | 120.0° |
| C21 | C26 | C25 | H251 | 69.9° | 60.0° |
| C21 | C26 | C25 | H252 | 179.5° | 180.0° |
| C21 | C26 | H261 | H262 | 117.5° | 120.0° |
| H211 | C21 | C22 | C23 | 60.8° | 60.0° |
| H211 | C21 | C22 | H221 | 64.5° | 60.0° |
| H211 | C21 | C22 | H222 | 173.9° | 180.0° |
| H211 | C21 | C26 | C25 | 61.3° | 60.0° |
| H211 | C21 | C26 | H261 | 173.4° | 180.0° |
| H211 | C21 | C26 | H262 | 64.0° | 60.0° |
| C23 | C22 | H221 | H222 | 117.8° | 120.0° |
| C22 | C23 | C24 | H231 | 125.3° | 120.0° |
| C22 | C23 | C24 | H232 | 125.2° | 120.1° |
| C22 | C23 | H231 | H232 | 117.5° | 120.0° |
| C22 | C23 | C24 | C25 | 55.7° | 60.0° |
| C22 | C23 | C24 | H241 | 179.0° | 180.0° |
| C22 | C23 | C24 | H242 | 69.5° | 60.1° |
| H221 | C22 | C23 | C24 | 176.3° | 180.0° |
| H221 | C22 | C23 | H231 | 58.4° | 60.0° |
| H221 | C22 | C23 | H232 | 51.1° | 60.0° |
| H222 | C22 | C23 | C24 | 66.9° | 60.0° |
| H222 | C22 | C23 | H231 | 167.8° | 180.0° |
| H222 | C22 | C23 | H232 | 58.3° | 60.0° |
| C24 | C23 | H231 | H232 | 117.5° | 120.0° |
| C23 | C24 | C25 | H241 | 125.2° | 120.1° |
| C23 | C24 | C25 | H242 | 125.2° | 120.0° |
| C23 | C24 | H241 | H242 | 117.4° | 119.9° |
| C23 | C24 | C25 | C26 | 54.2° | 60.0° |
| C23 | C24 | C25 | H251 | 71.0° | 60.0° |
| C23 | C24 | C25 | H252 | 179.5° | 180.0° |
| H231 | C23 | C24 | C25 | 69.6° | 60.0° |
| H231 | C23 | C24 | H241 | 55.7° | 60.0° |
| H231 | C23 | C24 | H242 | 165.2° | 179.9° |
| H232 | C23 | C24 | C25 | 179.0° | 179.9° |
| H232 | C23 | C24 | H241 | 53.8° | 59.9° |
| H232 | C23 | C24 | H242 | 55.7° | 60.0° |
| C25 | C24 | H241 | H242 | 117.5° | 120.0° |
| C24 | C25 | C26 | H251 | 125.2° | 120.0° |
| C24 | C25 | C26 | H252 | 125.3° | 120.0° |
| C24 | C25 | H251 | H252 | 117.4° | 120.1° |
| C24 | C25 | C26 | H261 | 70.0° | 60.0° |
| C24 | C25 | C26 | H262 | 179.4° | 180.0° |
| H241 | C24 | C25 | C26 | 179.4° | 180.0° |
| H241 | C24 | C25 | H251 | 54.2° | 60.1° |
| H241 | C24 | C25 | H252 | 55.3° | 60.0° |
| H242 | C24 | C25 | C26 | 71.0° | 60.0° |
| H242 | C24 | C25 | H251 | 163.7° | 180.0° |
| H242 | C24 | C25 | H252 | 54.2° | 60.0° |
| C26 | C25 | H251 | H252 | 117.4° | 120.0° |
| C25 | C26 | H261 | H262 | 117.5° | 120.0° |
| H251 | C25 | C26 | H261 | 164.8° | 180.0° |
| H251 | C25 | C26 | H262 | 55.3° | 60.0° |
| H252 | C25 | C26 | H261 | 55.3° | 60.0° |
| H252 | C25 | C26 | H262 | 54.2° | 60.0° |
| C16 | C15 | C14 | H151 | 180.0° | 179.9° |
| C15 | C16 | C27 | N3 | 156.7° | 0.1° |
| C15 | C16 | C27 | O6 | 23.6° | 179.9° |
| C27 | C16 | C15 | C14 | 179.9° | 179.8° |
| C27 | C16 | C15 | H151 | 0.1° | 0.1° |
| C16 | C27 | N3 | O6 | 179.7° | 180.0° |
| C16 | C27 | N3 | HN31 | 0.3° | 180.0° |
| C16 | C27 | N3 | HN32 | 180.0° | 0.0° |
| C27 | N3 | HN31 | HN32 | 179.7° | 180.0° |
| O6 | C27 | N3 | HN31 | 179.9° | 0.0° |
| O6 | C27 | N3 | HN32 | 0.3° | 180.0° |
