OCP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P1 | O1 | sing | 1.61Å | 1.59Å | |
| P1 | O2 | sing | 1.61Å | 1.56Å | |
| P1 | O4 | doub | 1.48Å | 1.46Å | |
| P1 | C4 | sing | 1.82Å | 1.70Å | |
| O1 | C1 | sing | 1.43Å | 1.50Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| O5 | C2 | sing | 1.45Å | 1.58Å | |
| O5 | C22 | sing | 1.35Å | 1.47Å | |
| O6 | C22 | doub | 1.21Å | 1.28Å | |
| O3 | C3 | sing | 1.45Å | 1.46Å | |
| O3 | C12 | sing | 1.35Å | 1.38Å | |
| O7 | C12 | doub | 1.22Å | 1.33Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | H11 | sing | 1.09Å | 1.11Å | |
| C1 | H12 | sing | 1.09Å | 1.12Å | |
| C2 | C3 | sing | 1.53Å | 1.60Å | |
| C2 | H2 | sing | 1.09Å | 1.12Å | |
| C3 | H31 | sing | 1.09Å | 1.11Å | |
| C3 | H32 | sing | 1.09Å | 1.12Å | |
| C4 | C5 | sing | 1.53Å | 1.57Å | |
| C4 | H41 | sing | 1.09Å | 1.11Å | |
| C4 | H42 | sing | 1.09Å | 1.12Å | |
| C5 | C6 | sing | 1.53Å | 1.64Å | |
| C5 | H51 | sing | 1.09Å | 1.12Å | |
| C5 | H52 | sing | 1.09Å | 1.11Å | |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C6 | H61 | sing | 1.09Å | 1.12Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| C7 | C8 | sing | 1.53Å | 1.50Å | |
| C7 | H71 | sing | 1.09Å | 1.12Å | |
| C7 | H72 | sing | 1.09Å | 1.12Å | |
| C8 | C9 | sing | 1.53Å | 1.60Å | |
| C8 | H81 | sing | 1.09Å | 1.11Å | |
| C8 | H82 | sing | 1.09Å | 1.11Å | |
| C9 | C10 | sing | 1.53Å | 1.58Å | |
| C9 | H91 | sing | 1.09Å | 1.12Å | |
| C9 | H92 | sing | 1.09Å | 1.12Å | |
| C10 | C11 | sing | 1.53Å | 1.71Å | |
| C10 | H101 | sing | 1.09Å | 1.11Å | |
| C10 | H102 | sing | 1.09Å | 1.12Å | |
| C11 | H111 | sing | 1.09Å | 1.11Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| C11 | H113 | sing | 1.09Å | 1.11Å | |
| C12 | N1 | sing | 1.35Å | 1.61Å | |
| N1 | C13 | sing | 1.46Å | 1.67Å | |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| C13 | C14 | sing | 1.53Å | 1.57Å | |
| C13 | H131 | sing | 1.09Å | 1.12Å | |
| C13 | H132 | sing | 1.09Å | 1.11Å | |
| C14 | C15 | sing | 1.53Å | 1.46Å | |
| C14 | H141 | sing | 1.09Å | 1.11Å | |
| C14 | H142 | sing | 1.09Å | 1.12Å | |
| C15 | C16 | sing | 1.53Å | 1.39Å | |
| C15 | H151 | sing | 1.09Å | 1.12Å | |
| C15 | H152 | sing | 1.09Å | 1.12Å | |
| C16 | C17 | sing | 1.53Å | 1.51Å | |
| C16 | H161 | sing | 1.09Å | 1.11Å | |
| C16 | H162 | sing | 1.09Å | 1.11Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C17 | H171 | sing | 1.09Å | 1.11Å | |
| C17 | H172 | sing | 1.09Å | 1.12Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | H181 | sing | 1.09Å | 1.11Å | |
| C18 | H182 | sing | 1.09Å | 1.12Å | |
| C19 | C20 | sing | 1.53Å | 1.57Å | |
| C19 | H191 | sing | 1.09Å | 1.12Å | |
| C19 | H192 | sing | 1.09Å | 1.11Å | |
| C20 | H201 | sing | 1.09Å | 1.12Å | |
| C20 | H202 | sing | 1.09Å | 1.11Å | |
| C20 | H203 | sing | 1.09Å | 1.12Å | |
| C22 | N2 | sing | 1.35Å | 1.43Å | |
| N2 | C23 | sing | 1.46Å | 1.79Å | |
| N2 | HN2 | sing | 0.97Å | 1.02Å | |
| C23 | C24 | sing | 1.53Å | 1.47Å | |
| C23 | H231 | sing | 1.09Å | 1.11Å | |
| C23 | H232 | sing | 1.09Å | 1.11Å | |
| C24 | C25 | sing | 1.53Å | 1.41Å | |
| C24 | H241 | sing | 1.09Å | 1.12Å | |
| C24 | H242 | sing | 1.09Å | 1.11Å | |
| C25 | C26 | sing | 1.53Å | 1.57Å | |
| C25 | H251 | sing | 1.09Å | 1.11Å | |
| C25 | H252 | sing | 1.09Å | 1.12Å | |
| C26 | C27 | sing | 1.53Å | 1.55Å | |
| C26 | H261 | sing | 1.09Å | 1.11Å | |
| C26 | H262 | sing | 1.09Å | 1.11Å | |
| C27 | C28 | sing | 1.53Å | 1.52Å | |
| C27 | H271 | sing | 1.09Å | 1.11Å | |
| C27 | H272 | sing | 1.09Å | 1.11Å | |
| C28 | C29 | sing | 1.53Å | 1.57Å | |
| C28 | H281 | sing | 1.09Å | 1.11Å | |
| C28 | H282 | sing | 1.09Å | 1.11Å | |
| C29 | C30 | sing | 1.53Å | 1.70Å | |
| C29 | H291 | sing | 1.09Å | 1.12Å | |
| C29 | H292 | sing | 1.09Å | 1.12Å | |
| C30 | H301 | sing | 1.09Å | 1.11Å | |
| C30 | H302 | sing | 1.09Å | 1.11Å | |
| C30 | H303 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | P1 | O2 | 111.7° | 109.5° |
| O1 | P1 | O4 | 117.5° | 109.5° |
| O1 | P1 | C4 | 127.1° | 109.5° |
| P1 | O1 | C1 | 126.4° | 106.8° |
| O2 | P1 | O4 | 99.1° | 109.4° |
| O2 | P1 | C4 | 99.6° | 109.5° |
| P1 | O2 | HO2 | 111.7° | 106.8° |
| O4 | P1 | C4 | 97.2° | 109.5° |
| P1 | C4 | C5 | 98.0° | 109.5° |
| P1 | C4 | H41 | 116.7° | 109.5° |
| P1 | C4 | H42 | 116.6° | 109.5° |
| O1 | C1 | C2 | 118.1° | 109.5° |
| O1 | C1 | H11 | 109.1° | 109.4° |
| O1 | C1 | H12 | 109.1° | 109.5° |
| C2 | O5 | C22 | 102.8° | 120.0° |
| O5 | C2 | C1 | 106.7° | 109.5° |
| O5 | C2 | C3 | 107.1° | 109.5° |
| O5 | C2 | H2 | 115.1° | 109.5° |
| O5 | C22 | O6 | 128.3° | 120.0° |
| O5 | C22 | N2 | 125.4° | 120.0° |
| O6 | C22 | N2 | 106.3° | 120.0° |
| C3 | O3 | C12 | 117.9° | 120.0° |
| O3 | C3 | C2 | 110.3° | 109.5° |
| O3 | C3 | H31 | 111.9° | 109.4° |
| O3 | C3 | H32 | 111.9° | 109.5° |
| O3 | C12 | O7 | 138.0° | 120.0° |
| O3 | C12 | N1 | 106.2° | 120.0° |
| O7 | C12 | N1 | 115.8° | 120.0° |
| C2 | C1 | H11 | 109.2° | 109.4° |
| C2 | C1 | H12 | 109.2° | 109.5° |
| C1 | C2 | C3 | 115.4° | 109.5° |
| C1 | C2 | H2 | 106.7° | 109.5° |
| H11 | C1 | H12 | 100.9° | 109.5° |
| C3 | C2 | H2 | 106.3° | 109.4° |
| C2 | C3 | H31 | 111.9° | 109.4° |
| C2 | C3 | H32 | 111.9° | 109.5° |
| H31 | C3 | H32 | 98.5° | 109.5° |
| C5 | C4 | H41 | 116.7° | 109.4° |
| C5 | C4 | H42 | 116.7° | 109.5° |
| C4 | C5 | C6 | 108.2° | 109.5° |
| C4 | C5 | H51 | 112.7° | 109.4° |
| C4 | C5 | H52 | 112.7° | 109.5° |
| H41 | C4 | H42 | 93.7° | 109.4° |
| C6 | C5 | H51 | 112.7° | 109.5° |
| C6 | C5 | H52 | 112.7° | 109.5° |
| C5 | C6 | C7 | 112.7° | 109.5° |
| C5 | C6 | H61 | 111.0° | 109.4° |
| C5 | C6 | H62 | 111.0° | 109.5° |
| H51 | C5 | H52 | 97.7° | 109.4° |
| C7 | C6 | H61 | 111.0° | 109.4° |
| C7 | C6 | H62 | 111.0° | 109.5° |
| C6 | C7 | C8 | 131.5° | 109.5° |
| C6 | C7 | H71 | 104.6° | 109.4° |
| C6 | C7 | H72 | 104.5° | 109.5° |
| H61 | C6 | H62 | 99.3° | 109.4° |
| C8 | C7 | H71 | 104.6° | 109.4° |
| C8 | C7 | H72 | 104.6° | 109.5° |
| C7 | C8 | C9 | 112.5° | 109.5° |
| C7 | C8 | H81 | 111.1° | 109.4° |
| C7 | C8 | H82 | 111.1° | 109.4° |
| H71 | C7 | H72 | 104.4° | 109.4° |
| C9 | C8 | H81 | 111.1° | 109.5° |
| C9 | C8 | H82 | 111.1° | 109.5° |
| C8 | C9 | C10 | 95.3° | 109.5° |
| C8 | C9 | H91 | 117.7° | 109.5° |
| C8 | C9 | H92 | 117.7° | 109.5° |
| H81 | C8 | H82 | 99.2° | 109.5° |
| C10 | C9 | H91 | 117.8° | 109.4° |
| C10 | C9 | H92 | 117.8° | 109.5° |
| C9 | C10 | C11 | 115.3° | 109.5° |
| C9 | C10 | H101 | 110.1° | 109.5° |
| C9 | C10 | H102 | 110.1° | 109.5° |
| H91 | C9 | H92 | 92.5° | 109.5° |
| C11 | C10 | H101 | 110.1° | 109.4° |
| C11 | C10 | H102 | 110.1° | 109.5° |
| C10 | C11 | H111 | 115.2° | 109.4° |
| C10 | C11 | H112 | 110.1° | 109.4° |
| C10 | C11 | H113 | 110.1° | 109.5° |
| H101 | C10 | H102 | 100.1° | 109.5° |
| H111 | C11 | H112 | 110.1° | 109.5° |
| H111 | C11 | H113 | 110.2° | 109.5° |
| H112 | C11 | H113 | 100.1° | 109.5° |
| C12 | N1 | C13 | 114.4° | 120.1° |
| C12 | N1 | HN1 | 121.0° | 120.0° |
| C13 | N1 | HN1 | 124.6° | 119.9° |
| N1 | C13 | C14 | 100.3° | 109.6° |
| N1 | C13 | H131 | 115.7° | 109.4° |
| N1 | C13 | H132 | 115.7° | 109.5° |
| C14 | C13 | H131 | 115.7° | 109.4° |
| C14 | C13 | H132 | 115.8° | 109.5° |
| C13 | C14 | C15 | 96.7° | 109.5° |
| C13 | C14 | H141 | 117.2° | 109.4° |
| C13 | C14 | H142 | 117.2° | 109.5° |
| H131 | C13 | H132 | 94.7° | 109.4° |
| C15 | C14 | H141 | 117.2° | 109.4° |
| C15 | C14 | H142 | 117.2° | 109.5° |
| C14 | C15 | C16 | 149.3° | 109.5° |
| C14 | C15 | H151 | 99.0° | 109.4° |
| C14 | C15 | H152 | 99.0° | 109.5° |
| H141 | C14 | H142 | 93.2° | 109.4° |
| C16 | C15 | H151 | 99.0° | 109.5° |
| C16 | C15 | H152 | 99.0° | 109.5° |
| C15 | C16 | C17 | 140.4° | 109.5° |
| C15 | C16 | H161 | 101.7° | 109.5° |
| C15 | C16 | H162 | 101.7° | 109.5° |
| H151 | C15 | H152 | 107.4° | 109.4° |
| C17 | C16 | H161 | 101.8° | 109.4° |
| C17 | C16 | H162 | 101.8° | 109.5° |
| C16 | C17 | C18 | 114.0° | 109.5° |
| C16 | C17 | H171 | 110.5° | 109.4° |
| C16 | C17 | H172 | 110.5° | 109.5° |
| H161 | C16 | H162 | 106.1° | 109.5° |
| C18 | C17 | H171 | 110.5° | 109.5° |
| C18 | C17 | H172 | 110.6° | 109.5° |
| C17 | C18 | C19 | 91.8° | 109.4° |
| C17 | C18 | H181 | 119.3° | 109.4° |
| C17 | C18 | H182 | 119.2° | 109.5° |
| H171 | C17 | H172 | 99.8° | 109.4° |
| C19 | C18 | H181 | 119.2° | 109.5° |
| C19 | C18 | H182 | 119.2° | 109.5° |
| C18 | C19 | C20 | 113.3° | 109.5° |
| C18 | C19 | H191 | 110.8° | 109.5° |
| C18 | C19 | H192 | 110.8° | 109.5° |
| H181 | C18 | H182 | 90.9° | 109.6° |
| C20 | C19 | H191 | 110.8° | 109.4° |
| C20 | C19 | H192 | 110.8° | 109.5° |
| C19 | C20 | H201 | 113.3° | 109.5° |
| C19 | C20 | H202 | 110.8° | 109.5° |
| C19 | C20 | H203 | 110.8° | 109.4° |
| H191 | C19 | H192 | 99.6° | 109.5° |
| H201 | C20 | H202 | 110.8° | 109.5° |
| H201 | C20 | H203 | 110.8° | 109.4° |
| H202 | C20 | H203 | 99.5° | 109.5° |
| C22 | N2 | C23 | 143.3° | 120.0° |
| C22 | N2 | HN2 | 89.7° | 120.0° |
| C23 | N2 | HN2 | 126.9° | 120.0° |
| N2 | C23 | C24 | 132.8° | 109.5° |
| N2 | C23 | H231 | 104.1° | 109.5° |
| N2 | C23 | H232 | 104.1° | 109.4° |
| C24 | C23 | H231 | 104.2° | 109.5° |
| C24 | C23 | H232 | 104.2° | 109.4° |
| C23 | C24 | C25 | 94.6° | 109.5° |
| C23 | C24 | H241 | 118.0° | 109.5° |
| C23 | C24 | H242 | 118.0° | 109.4° |
| H231 | C23 | H232 | 104.7° | 109.5° |
| C25 | C24 | H241 | 118.0° | 109.5° |
| C25 | C24 | H242 | 118.1° | 109.5° |
| C24 | C25 | C26 | 108.5° | 109.5° |
| C24 | C25 | H251 | 112.6° | 109.5° |
| C24 | C25 | H252 | 112.5° | 109.4° |
| H241 | C24 | H242 | 92.2° | 109.4° |
| C26 | C25 | H251 | 112.6° | 109.5° |
| C26 | C25 | H252 | 112.6° | 109.4° |
| C25 | C26 | C27 | 100.5° | 109.5° |
| C25 | C26 | H261 | 115.6° | 109.5° |
| C25 | C26 | H262 | 115.6° | 109.4° |
| H251 | C25 | H252 | 97.9° | 109.5° |
| C27 | C26 | H261 | 115.7° | 109.5° |
| C27 | C26 | H262 | 115.7° | 109.5° |
| C26 | C27 | C28 | 113.5° | 109.5° |
| C26 | C27 | H271 | 110.7° | 109.5° |
| C26 | C27 | H272 | 110.7° | 109.4° |
| H261 | C26 | H262 | 94.8° | 109.4° |
| C28 | C27 | H271 | 110.7° | 109.5° |
| C28 | C27 | H272 | 110.8° | 109.5° |
| C27 | C28 | C29 | 102.3° | 109.5° |
| C27 | C28 | H281 | 114.9° | 109.5° |
| C27 | C28 | H282 | 114.9° | 109.5° |
| H271 | C27 | H272 | 99.5° | 109.5° |
| C29 | C28 | H281 | 114.9° | 109.4° |
| C29 | C28 | H282 | 115.0° | 109.4° |
| C28 | C29 | C30 | 104.2° | 109.5° |
| C28 | C29 | H291 | 114.2° | 109.4° |
| C28 | C29 | H292 | 114.2° | 109.4° |
| H281 | C28 | H282 | 95.6° | 109.5° |
| C30 | C29 | H291 | 114.2° | 109.5° |
| C30 | C29 | H292 | 114.2° | 109.4° |
| C29 | C30 | H301 | 104.2° | 109.5° |
| C29 | C30 | H302 | 114.1° | 109.5° |
| C29 | C30 | H303 | 114.2° | 109.4° |
| H291 | C29 | H292 | 96.3° | 109.5° |
| H301 | C30 | H302 | 114.2° | 109.5° |
| H301 | C30 | H303 | 114.2° | 109.4° |
| H302 | C30 | H303 | 96.3° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | P1 | O2 | O4 | 124.5° | 120.0° |
| O1 | P1 | O2 | C4 | 136.5° | 120.0° |
| O1 | P1 | O4 | C4 | 138.7° | 120.0° |
| O1 | P1 | O2 | HO2 | 180.0° | 60.0° |
| P1 | O1 | C1 | C2 | 137.4° | 180.0° |
| P1 | O1 | C1 | H11 | 97.3° | 60.1° |
| P1 | O1 | C1 | H12 | 12.1° | 60.0° |
| O1 | P1 | C4 | C5 | 50.5° | 180.0° |
| O1 | P1 | C4 | H41 | 74.8° | 60.0° |
| O1 | P1 | C4 | H42 | 175.8° | 59.9° |
| O2 | P1 | O4 | C4 | 101.0° | 120.0° |
| O2 | P1 | O1 | C1 | 91.4° | 59.9° |
| O2 | P1 | C4 | C5 | 76.2° | 60.0° |
| O2 | P1 | C4 | H41 | 158.5° | 60.0° |
| O2 | P1 | C4 | H42 | 49.1° | 180.0° |
| O4 | P1 | O1 | C1 | 22.2° | 60.0° |
| O4 | P1 | O2 | HO2 | 55.5° | 180.0° |
| O4 | P1 | C4 | C5 | 176.7° | 60.0° |
| O4 | P1 | C4 | H41 | 57.9° | 180.0° |
| O4 | P1 | C4 | H42 | 51.5° | 60.1° |
| C4 | P1 | O1 | C1 | 147.0° | 180.0° |
| C4 | P1 | O2 | HO2 | 43.5° | 60.0° |
| P1 | C4 | C5 | H41 | 125.3° | 120.0° |
| P1 | C4 | C5 | H42 | 125.2° | 120.1° |
| P1 | C4 | H41 | H42 | 122.3° | 120.0° |
| P1 | C4 | C5 | C6 | 167.5° | 180.0° |
| P1 | C4 | C5 | H51 | 67.2° | 60.0° |
| P1 | C4 | C5 | H52 | 42.2° | 59.9° |
| O1 | C1 | C2 | O5 | 144.5° | 59.9° |
| O1 | C1 | C2 | H11 | 125.3° | 119.9° |
| O1 | C1 | C2 | H12 | 125.3° | 120.0° |
| O1 | C1 | H11 | H12 | 114.8° | 120.0° |
| O1 | C1 | C2 | C3 | 25.7° | 180.0° |
| O1 | C1 | C2 | H2 | 92.0° | 60.1° |
| C2 | O5 | C22 | O6 | 2.9° | 0.1° |
| O5 | C2 | C3 | O3 | 102.9° | 59.9° |
| O5 | C2 | C1 | C3 | 118.8° | 120.1° |
| O5 | C2 | C1 | H2 | 123.4° | 120.0° |
| O5 | C2 | C1 | H11 | 19.2° | 60.0° |
| O5 | C2 | C1 | H12 | 90.2° | 180.0° |
| O5 | C2 | C3 | H2 | 123.5° | 119.9° |
| O5 | C2 | C3 | H31 | 22.4° | 60.0° |
| O5 | C2 | C3 | H32 | 131.9° | 180.0° |
| C2 | O5 | C22 | N2 | 178.5° | 180.0° |
| O5 | C22 | O6 | N2 | 178.8° | 179.9° |
| C22 | O5 | C2 | C1 | 142.1° | 90.0° |
| C22 | O5 | C2 | C3 | 93.8° | 149.9° |
| C22 | O5 | C2 | H2 | 24.1° | 30.1° |
| O5 | C22 | N2 | C23 | 69.3° | 179.9° |
| O5 | C22 | N2 | HN2 | 110.7° | 0.1° |
| O6 | C22 | N2 | C23 | 111.9° | 0.1° |
| O6 | C22 | N2 | HN2 | 68.1° | 180.0° |
| C3 | O3 | C12 | O7 | 66.7° | 0.1° |
| O3 | C3 | C2 | C1 | 138.5° | 180.0° |
| O3 | C3 | C2 | H31 | 125.3° | 119.9° |
| O3 | C3 | C2 | H32 | 125.2° | 120.1° |
| O3 | C3 | C2 | H2 | 20.6° | 60.1° |
| O3 | C3 | H31 | H32 | 117.8° | 120.0° |
| C3 | O3 | C12 | N1 | 114.2° | 180.0° |
| O3 | C12 | O7 | N1 | 179.1° | 179.9° |
| C12 | O3 | C3 | C2 | 161.1° | 180.0° |
| C12 | O3 | C3 | H31 | 73.6° | 60.1° |
| C12 | O3 | C3 | H32 | 35.9° | 59.9° |
| O3 | C12 | N1 | C13 | 114.9° | 180.0° |
| O3 | C12 | N1 | HN1 | 65.1° | 0.1° |
| O7 | C12 | N1 | C13 | 64.5° | 0.1° |
| O7 | C12 | N1 | HN1 | 115.5° | 180.0° |
| C2 | C1 | H11 | H12 | 114.9° | 120.0° |
| C1 | C2 | C3 | H2 | 118.0° | 120.0° |
| C1 | C2 | C3 | H31 | 96.2° | 60.1° |
| C1 | C2 | C3 | H32 | 13.3° | 59.9° |
| H11 | C1 | C2 | C3 | 99.6° | 60.1° |
| H11 | C1 | C2 | H2 | 142.7° | 180.0° |
| H12 | C1 | C2 | C3 | 150.9° | 60.0° |
| H12 | C1 | C2 | H2 | 33.2° | 59.9° |
| C2 | C3 | H31 | H32 | 117.8° | 120.0° |
| H2 | C2 | C3 | H31 | 145.9° | 180.0° |
| H2 | C2 | C3 | H32 | 104.7° | 60.1° |
| C5 | C4 | H41 | H42 | 122.4° | 120.0° |
| C4 | C5 | C6 | H51 | 125.3° | 119.9° |
| C4 | C5 | C6 | H52 | 125.3° | 120.1° |
| C4 | C5 | H51 | H52 | 118.6° | 119.9° |
| C4 | C5 | C6 | C7 | 63.3° | 180.0° |
| C4 | C5 | C6 | H61 | 61.9° | 60.0° |
| C4 | C5 | C6 | H62 | 171.4° | 59.9° |
| H41 | C4 | C5 | C6 | 42.2° | 60.1° |
| H41 | C4 | C5 | H51 | 167.5° | 180.0° |
| H41 | C4 | C5 | H52 | 83.1° | 60.1° |
| H42 | C4 | C5 | C6 | 67.3° | 59.9° |
| H42 | C4 | C5 | H51 | 58.0° | 60.1° |
| H42 | C4 | C5 | H52 | 167.4° | NaN° |
| C6 | C5 | H51 | H52 | 118.6° | 120.0° |
| C5 | C6 | C7 | H61 | 125.2° | 119.9° |
| C5 | C6 | C7 | H62 | 125.3° | 120.1° |
| C5 | C6 | H61 | H62 | 116.9° | 120.0° |
| C5 | C6 | C7 | C8 | 125.5° | 180.0° |
| C5 | C6 | C7 | H71 | 0.2° | 60.1° |
| C5 | C6 | C7 | H72 | 109.2° | 59.9° |
| H51 | C5 | C6 | C7 | 171.4° | 60.1° |
| H51 | C5 | C6 | H61 | 63.3° | 180.0° |
| H51 | C5 | C6 | H62 | 46.1° | 60.1° |
| H52 | C5 | C6 | C7 | 62.0° | 59.9° |
| H52 | C5 | C6 | H61 | 172.8° | 60.1° |
| H52 | C5 | C6 | H62 | 63.3° | 180.0° |
| C7 | C6 | H61 | H62 | 116.9° | 120.0° |
| C6 | C7 | C8 | H71 | 125.3° | 120.0° |
| C6 | C7 | C8 | H72 | 125.3° | 120.1° |
| C6 | C7 | H71 | H72 | 109.5° | 120.0° |
| C6 | C7 | C8 | C9 | 154.1° | 180.0° |
| C6 | C7 | C8 | H81 | 28.9° | 60.0° |
| C6 | C7 | C8 | H82 | 80.6° | 59.9° |
| H61 | C6 | C7 | C8 | 109.3° | 60.0° |
| H61 | C6 | C7 | H71 | 125.5° | 180.0° |
| H61 | C6 | C7 | H72 | 16.0° | 60.1° |
| H62 | C6 | C7 | C8 | 0.2° | 59.9° |
| H62 | C6 | C7 | H71 | 125.0° | 60.0° |
| H62 | C6 | C7 | H72 | 125.5° | 180.0° |
| C8 | C7 | H71 | H72 | 109.6° | 120.0° |
| C7 | C8 | C9 | H81 | 125.2° | 120.0° |
| C7 | C8 | C9 | H82 | 125.2° | 120.0° |
| C7 | C8 | H81 | H82 | 116.9° | 119.9° |
| C7 | C8 | C9 | C10 | 140.7° | 180.0° |
| C7 | C8 | C9 | H91 | 15.5° | 60.0° |
| C7 | C8 | C9 | H92 | 94.0° | 60.0° |
| H71 | C7 | C8 | C9 | 80.6° | 60.0° |
| H71 | C7 | C8 | H81 | 154.1° | 180.0° |
| H71 | C7 | C8 | H82 | 44.7° | 60.0° |
| H72 | C7 | C8 | C9 | 28.9° | 60.0° |
| H72 | C7 | C8 | H81 | 96.4° | 60.1° |
| H72 | C7 | C8 | H82 | 154.1° | 180.0° |
| C9 | C8 | H81 | H82 | 117.0° | 120.0° |
| C8 | C9 | C10 | H91 | 125.2° | 120.0° |
| C8 | C9 | C10 | H92 | 125.3° | 120.0° |
| C8 | C9 | H91 | H92 | 123.3° | 120.0° |
| C8 | C9 | C10 | C11 | 148.2° | 180.0° |
| C8 | C9 | C10 | H101 | 86.5° | 60.0° |
| C8 | C9 | C10 | H102 | 23.0° | 60.0° |
| H81 | C8 | C9 | C10 | 94.0° | 60.0° |
| H81 | C8 | C9 | H91 | 140.7° | 180.0° |
| H81 | C8 | C9 | H92 | 31.3° | 60.0° |
| H82 | C8 | C9 | C10 | 15.5° | 60.0° |
| H82 | C8 | C9 | H91 | 109.8° | 60.0° |
| H82 | C8 | C9 | H92 | 140.8° | 180.0° |
| C10 | C9 | H91 | H92 | 123.4° | 120.0° |
| C9 | C10 | C11 | H101 | 125.3° | 120.0° |
| C9 | C10 | C11 | H102 | 125.2° | 120.1° |
| C9 | C10 | H101 | H102 | 115.9° | 120.1° |
| C9 | C10 | C11 | H111 | 180.0° | 180.0° |
| C9 | C10 | C11 | H112 | 54.7° | 60.1° |
| C9 | C10 | C11 | H113 | 54.7° | 59.9° |
| H91 | C9 | C10 | C11 | 23.0° | 60.0° |
| H91 | C9 | C10 | H101 | 148.3° | 180.0° |
| H91 | C9 | C10 | H102 | 102.3° | 60.0° |
| H92 | C9 | C10 | C11 | 86.5° | 59.9° |
| H92 | C9 | C10 | H101 | 38.8° | 60.0° |
| H92 | C9 | C10 | H102 | 148.2° | 180.0° |
| C11 | C10 | H101 | H102 | 115.9° | 120.0° |
| C10 | C11 | H111 | H112 | 125.2° | 119.9° |
| C10 | C11 | H111 | H113 | 125.3° | 120.0° |
| C10 | C11 | H112 | H113 | 115.9° | 120.0° |
| H101 | C10 | C11 | H111 | 54.8° | 60.0° |
| H101 | C10 | C11 | H112 | 180.0° | 180.0° |
| H101 | C10 | C11 | H113 | 70.6° | 60.0° |
| H102 | C10 | C11 | H111 | 54.7° | 59.9° |
| H102 | C10 | C11 | H112 | 70.5° | 60.0° |
| H102 | C10 | C11 | H113 | 179.9° | 180.0° |
| H111 | C11 | H112 | H113 | 116.0° | 120.1° |
| C12 | N1 | C13 | HN1 | 180.0° | 179.9° |
| C12 | N1 | C13 | C14 | 174.7° | 180.0° |
| C12 | N1 | C13 | H131 | 60.0° | 60.0° |
| C12 | N1 | C13 | H132 | 49.5° | 59.9° |
| N1 | C13 | C14 | H131 | 125.2° | 120.0° |
| N1 | C13 | C14 | H132 | 125.3° | 120.2° |
| N1 | C13 | H131 | H132 | 121.5° | 120.0° |
| N1 | C13 | C14 | C15 | 171.2° | 180.0° |
| N1 | C13 | C14 | H141 | 63.5° | 60.0° |
| N1 | C13 | C14 | H142 | 46.0° | 59.8° |
| HN1 | N1 | C13 | C14 | 5.2° | 0.1° |
| HN1 | N1 | C13 | H131 | 120.0° | 120.0° |
| HN1 | N1 | C13 | H132 | 130.5° | 120.1° |
| C14 | C13 | H131 | H132 | 121.6° | 120.0° |
| C13 | C14 | C15 | H141 | 125.2° | 120.0° |
| C13 | C14 | C15 | H142 | 125.2° | 120.1° |
| C13 | C14 | H141 | H142 | 122.9° | 120.0° |
| C13 | C14 | C15 | C16 | 131.4° | 180.0° |
| C13 | C14 | C15 | H151 | 103.3° | 60.0° |
| C13 | C14 | C15 | H152 | 6.2° | 59.9° |
| H131 | C13 | C14 | C15 | 46.0° | 60.0° |
| H131 | C13 | C14 | H141 | 171.3° | 180.0° |
| H131 | C13 | C14 | H142 | 79.2° | 60.1° |
| H132 | C13 | C14 | C15 | 63.5° | 59.8° |
| H132 | C13 | C14 | H141 | 61.8° | 60.1° |
| H132 | C13 | C14 | H142 | 171.3° | 180.0° |
| C15 | C14 | H141 | H142 | 122.9° | 120.0° |
| C14 | C15 | C16 | H151 | 125.3° | 120.0° |
| C14 | C15 | C16 | H152 | 125.3° | 120.0° |
| C14 | C15 | H151 | H152 | 102.5° | 120.0° |
| C14 | C15 | C16 | C17 | 61.5° | 180.0° |
| C14 | C15 | C16 | H161 | 173.2° | 60.0° |
| C14 | C15 | C16 | H162 | 63.8° | 60.0° |
| H141 | C14 | C15 | C16 | 6.2° | 60.0° |
| H141 | C14 | C15 | H151 | 131.5° | 180.0° |
| H141 | C14 | C15 | H152 | 119.1° | 60.1° |
| H142 | C14 | C15 | C16 | 103.3° | 59.9° |
| H142 | C14 | C15 | H151 | 22.0° | 60.1° |
| H142 | C14 | C15 | H152 | 131.4° | 180.0° |
| C16 | C15 | H151 | H152 | 102.5° | 120.0° |
| C15 | C16 | C17 | H161 | 125.3° | 120.0° |
| C15 | C16 | C17 | H162 | 125.3° | 120.1° |
| C15 | C16 | H161 | H162 | 106.0° | 120.0° |
| C15 | C16 | C17 | C18 | 72.5° | 180.0° |
| C15 | C16 | C17 | H171 | 162.2° | 60.0° |
| C15 | C16 | C17 | H172 | 52.7° | 59.9° |
| H151 | C15 | C16 | C17 | 63.8° | 60.0° |
| H151 | C15 | C16 | H161 | 61.5° | 180.0° |
| H151 | C15 | C16 | H162 | 170.9° | 60.0° |
| H152 | C15 | C16 | C17 | 173.2° | 59.9° |
| H152 | C15 | C16 | H161 | 47.9° | 60.0° |
| H152 | C15 | C16 | H162 | 61.5° | 180.0° |
| C17 | C16 | H161 | H162 | 106.1° | 120.0° |
| C16 | C17 | C18 | H171 | 125.2° | 120.0° |
| C16 | C17 | C18 | H172 | 125.2° | 120.1° |
| C16 | C17 | H171 | H172 | 116.4° | 119.9° |
| C16 | C17 | C18 | C19 | 108.3° | 180.0° |
| C16 | C17 | C18 | H181 | 126.4° | 60.1° |
| C16 | C17 | C18 | H182 | 17.0° | 60.0° |
| H161 | C16 | C17 | C18 | 52.7° | 60.0° |
| H161 | C16 | C17 | H171 | 72.5° | NaN° |
| H161 | C16 | C17 | H172 | 178.0° | 60.1° |
| H162 | C16 | C17 | C18 | 162.2° | 59.9° |
| H162 | C16 | C17 | H171 | 37.0° | 60.1° |
| H162 | C16 | C17 | H172 | 72.5° | 180.0° |
| C18 | C17 | H171 | H172 | 116.4° | 120.1° |
| C17 | C18 | C19 | H181 | 125.3° | 119.9° |
| C17 | C18 | C19 | H182 | 125.2° | 120.0° |
| C17 | C18 | H181 | H182 | 124.6° | 120.0° |
| C17 | C18 | C19 | C20 | 179.4° | 180.0° |
| C17 | C18 | C19 | H191 | 54.2° | 60.1° |
| C17 | C18 | C19 | H192 | 55.3° | 60.0° |
| H171 | C17 | C18 | C19 | 16.9° | 60.0° |
| H171 | C17 | C18 | H181 | 108.4° | 180.0° |
| H171 | C17 | C18 | H182 | 142.2° | 59.9° |
| H172 | C17 | C18 | C19 | 126.5° | 60.0° |
| H172 | C17 | C18 | H181 | 1.2° | 60.0° |
| H172 | C17 | C18 | H182 | 108.3° | 179.9° |
| C19 | C18 | H181 | H182 | 124.6° | 120.0° |
| C18 | C19 | C20 | H191 | 125.2° | 119.9° |
| C18 | C19 | C20 | H192 | 125.3° | 120.1° |
| C18 | C19 | H191 | H192 | 116.7° | 120.1° |
| C18 | C19 | C20 | H201 | 180.0° | 180.0° |
| C18 | C19 | C20 | H202 | 54.7° | 59.9° |
| C18 | C19 | C20 | H203 | 54.7° | 60.1° |
| H181 | C18 | C19 | C20 | 55.3° | 60.1° |
| H181 | C18 | C19 | H191 | 179.5° | 180.0° |
| H181 | C18 | C19 | H192 | 70.0° | 59.9° |
| H182 | C18 | C19 | C20 | 54.2° | 60.0° |
| H182 | C18 | C19 | H191 | 71.0° | 59.9° |
| H182 | C18 | C19 | H192 | 179.5° | 180.0° |
| C20 | C19 | H191 | H192 | 116.7° | 120.0° |
| C19 | C20 | H201 | H202 | 125.3° | 120.0° |
| C19 | C20 | H201 | H203 | 125.2° | 119.9° |
| C19 | C20 | H202 | H203 | 116.7° | 120.0° |
| H191 | C19 | C20 | H201 | 54.8° | 60.1° |
| H191 | C19 | C20 | H202 | 179.9° | 60.0° |
| H191 | C19 | C20 | H203 | 70.4° | 180.0° |
| H192 | C19 | C20 | H201 | 54.8° | 59.9° |
| H192 | C19 | C20 | H202 | 70.5° | 180.0° |
| H192 | C19 | C20 | H203 | 180.0° | 60.0° |
| H201 | C20 | H202 | H203 | 116.6° | 120.0° |
| C22 | N2 | C23 | HN2 | 180.0° | 179.8° |
| C22 | N2 | C23 | C24 | 123.9° | 180.0° |
| C22 | N2 | C23 | H231 | 1.3° | 59.9° |
| C22 | N2 | C23 | H232 | 110.8° | 60.1° |
| N2 | C23 | C24 | H231 | 125.2° | 120.1° |
| N2 | C23 | C24 | H232 | 125.2° | 119.9° |
| N2 | C23 | H231 | H232 | 109.0° | 119.9° |
| N2 | C23 | C24 | C25 | 136.3° | 180.0° |
| N2 | C23 | C24 | H241 | 11.1° | 59.9° |
| N2 | C23 | C24 | H242 | 98.4° | 60.0° |
| HN2 | N2 | C23 | C24 | 56.1° | 0.1° |
| HN2 | N2 | C23 | H231 | 178.7° | 120.0° |
| HN2 | N2 | C23 | H232 | 69.2° | 120.1° |
| C24 | C23 | H231 | H232 | 109.1° | 120.0° |
| C23 | C24 | C25 | H241 | 125.2° | 120.1° |
| C23 | C24 | C25 | H242 | 125.2° | 120.0° |
| C23 | C24 | H241 | H242 | 123.6° | 119.9° |
| C23 | C24 | C25 | C26 | 176.3° | 180.0° |
| C23 | C24 | C25 | H251 | 58.4° | 60.0° |
| C23 | C24 | C25 | H252 | 51.1° | 60.1° |
| H231 | C23 | C24 | C25 | 98.4° | 60.0° |
| H231 | C23 | C24 | H241 | 136.3° | 180.0° |
| H231 | C23 | C24 | H242 | 26.9° | 60.0° |
| H232 | C23 | C24 | C25 | 11.1° | 60.1° |
| H232 | C23 | C24 | H241 | 114.2° | 60.0° |
| H232 | C23 | C24 | H242 | 136.4° | 180.0° |
| C25 | C24 | H241 | H242 | 123.7° | 120.0° |
| C24 | C25 | C26 | H251 | 125.3° | 120.0° |
| C24 | C25 | C26 | H252 | 125.2° | 119.9° |
| C24 | C25 | H251 | H252 | 118.4° | 120.0° |
| C24 | C25 | C26 | C27 | 110.0° | 180.0° |
| C24 | C25 | C26 | H261 | 124.7° | 59.9° |
| C24 | C25 | C26 | H262 | 15.3° | 60.0° |
| H241 | C24 | C25 | C26 | 51.1° | 59.9° |
| H241 | C24 | C25 | H251 | 176.4° | 180.0° |
| H241 | C24 | C25 | H252 | 74.1° | 60.0° |
| H242 | C24 | C25 | C26 | 58.4° | 60.0° |
| H242 | C24 | C25 | H251 | 66.9° | 60.0° |
| H242 | C24 | C25 | H252 | 176.3° | 180.0° |
| C26 | C25 | H251 | H252 | 118.5° | 120.0° |
| C25 | C26 | C27 | H261 | 125.2° | 120.0° |
| C25 | C26 | C27 | H262 | 125.3° | 120.0° |
| C25 | C26 | H261 | H262 | 121.4° | 119.9° |
| C25 | C26 | C27 | C28 | 174.8° | 180.0° |
| C25 | C26 | C27 | H271 | 49.6° | 59.9° |
| C25 | C26 | C27 | H272 | 59.9° | 60.0° |
| H251 | C25 | C26 | C27 | 15.3° | 60.0° |
| H251 | C25 | C26 | H261 | 110.0° | 180.0° |
| H251 | C25 | C26 | H262 | 140.6° | 60.0° |
| H252 | C25 | C26 | C27 | 124.8° | 60.1° |
| H252 | C25 | C26 | H261 | 0.5° | 60.0° |
| H252 | C25 | C26 | H262 | 109.9° | 179.9° |
| C27 | C26 | H261 | H262 | 121.5° | 120.0° |
| C26 | C27 | C28 | H271 | 125.3° | 120.1° |
| C26 | C27 | C28 | H272 | 125.3° | 119.9° |
| C26 | C27 | H271 | H272 | 116.5° | 120.0° |
| C26 | C27 | C28 | C29 | 95.1° | 180.0° |
| C26 | C27 | C28 | H281 | 139.7° | 60.0° |
| C26 | C27 | C28 | H282 | 30.2° | 60.1° |
| H261 | C26 | C27 | C28 | 59.9° | 60.0° |
| H261 | C26 | C27 | H271 | 174.8° | 180.0° |
| H261 | C26 | C27 | H272 | 65.4° | 60.0° |
| H262 | C26 | C27 | C28 | 49.6° | 60.0° |
| H262 | C26 | C27 | H271 | 75.7° | 60.0° |
| H262 | C26 | C27 | H272 | 174.9° | 180.0° |
| C28 | C27 | H271 | H272 | 116.6° | 120.0° |
| C27 | C28 | C29 | H281 | 125.2° | 120.1° |
| C27 | C28 | C29 | H282 | 125.2° | 120.0° |
| C27 | C28 | H281 | H282 | 120.8° | 120.0° |
| C27 | C28 | C29 | C30 | 180.0° | 180.0° |
| C27 | C28 | C29 | H291 | 54.8° | 59.9° |
| C27 | C28 | C29 | H292 | 54.7° | 60.0° |
| H271 | C27 | C28 | C29 | 30.2° | 59.9° |
| H271 | C27 | C28 | H281 | 95.1° | 180.0° |
| H271 | C27 | C28 | H282 | 155.5° | 60.0° |
| H272 | C27 | C28 | C29 | 139.6° | 60.0° |
| H272 | C27 | C28 | H281 | 14.4° | 60.0° |
| H272 | C27 | C28 | H282 | 95.1° | 180.0° |
| C29 | C28 | H281 | H282 | 120.8° | 119.9° |
| C28 | C29 | C30 | H291 | 125.3° | 120.0° |
| C28 | C29 | C30 | H292 | 125.3° | 120.0° |
| C28 | C29 | H291 | H292 | 120.1° | 119.9° |
| C28 | C29 | C30 | H301 | 180.0° | 180.0° |
| C28 | C29 | C30 | H302 | 54.7° | 59.9° |
| C28 | C29 | C30 | H303 | 54.8° | 60.0° |
| H281 | C28 | C29 | C30 | 54.7° | 59.9° |
| H281 | C28 | C29 | H291 | 180.0° | 180.0° |
| H281 | C28 | C29 | H292 | 70.5° | 60.0° |
| H282 | C28 | C29 | C30 | 54.8° | 60.0° |
| H282 | C28 | C29 | H291 | 70.5° | 60.1° |
| H282 | C28 | C29 | H292 | 179.9° | 180.0° |
| C30 | C29 | H291 | H292 | 120.1° | 120.0° |
| C29 | C30 | H301 | H302 | 125.2° | 120.1° |
| C29 | C30 | H301 | H303 | 125.2° | 120.0° |
| C29 | C30 | H302 | H303 | 120.1° | 119.9° |
| H291 | C29 | C30 | H301 | 54.7° | 59.9° |
| H291 | C29 | C30 | H302 | 180.0° | 180.0° |
| H291 | C29 | C30 | H303 | 70.5° | 60.0° |
| H292 | C29 | C30 | H301 | 54.7° | 60.1° |
| H292 | C29 | C30 | H302 | 70.5° | 60.0° |
| H292 | C29 | C30 | H303 | 180.0° | 180.0° |
| H301 | C30 | H302 | H303 | 120.2° | 119.9° |
