CPO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.52Å | 1.53Å | |
| C1 | O1 | doub | 1.24Å | 1.21Å | |
| C1 | N3 | sing | 1.33Å | 1.38Å | |
| C2 | C3 | sing | 1.54Å | 1.58Å | |
| C2 | N2 | sing | 1.46Å | 1.42Å | |
| C2 | H21 | sing | 0.98Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.57Å | |
| C3 | H31 | sing | 0.98Å | 1.10Å | |
| C3 | H32 | sing | 0.98Å | 1.10Å | |
| C4 | C5 | sing | 1.54Å | 1.52Å | |
| C4 | H41 | sing | 0.98Å | 1.10Å | |
| C4 | H42 | sing | 0.98Å | 1.10Å | |
| C5 | N1 | sing | 1.47Å | 1.44Å | |
| C5 | H51 | sing | 0.97Å | 1.10Å | |
| C5 | H52 | sing | 0.97Å | 1.10Å | |
| N1 | C6 | sing | 1.38Å | 1.32Å | |
| N1 | O2 | sing | 1.31Å | 1.35Å | |
| C6 | O3 | doub | 1.23Å | 1.20Å | |
| C6 | C16 | sing | 1.51Å | 1.59Å | |
| N2 | C7 | sing | 1.33Å | 1.37Å | |
| N2 | HN21 | sing | 0.87Å | 1.00Å | |
| O2 | FE | sing | 2.02Å | 2.02Å | |
| O3 | FE | sing | 2.08Å | 2.05Å | |
| C7 | C8 | sing | 1.52Å | 1.59Å | |
| C7 | O4 | doub | 1.24Å | 1.22Å | |
| C8 | C9 | sing | 1.55Å | 1.53Å | |
| C8 | N3 | sing | 1.47Å | 1.41Å | |
| C8 | H81 | sing | 0.98Å | 1.10Å | |
| C9 | C10 | sing | 1.54Å | 1.53Å | |
| C9 | H91 | sing | 0.98Å | 1.10Å | |
| C9 | H92 | sing | 0.98Å | 1.10Å | |
| C10 | C11 | sing | 1.53Å | 1.55Å | |
| C10 | H101 | sing | 0.98Å | 1.10Å | |
| C10 | H102 | sing | 0.98Å | 1.10Å | |
| C11 | N4 | sing | 1.46Å | 1.48Å | |
| C11 | H111 | sing | 0.97Å | 1.10Å | |
| C11 | H112 | sing | 0.97Å | 1.10Å | |
| N3 | HN31 | sing | 0.87Å | 1.00Å | |
| C12 | C13 | sing | 1.51Å | 1.58Å | |
| C12 | H121 | sing | 0.97Å | 1.10Å | |
| C12 | H122 | sing | 0.97Å | 1.10Å | |
| C12 | H123 | sing | 0.97Å | 1.10Å | |
| C13 | C14 | sing | 1.52Å | 1.56Å | |
| C13 | C16 | doub | 1.34Å | 1.47Å | |
| C14 | C15 | sing | 1.52Å | 1.53Å | |
| C14 | H141 | sing | 0.98Å | 1.10Å | |
| C14 | H142 | sing | 0.98Å | 1.10Å | |
| C15 | O5 | sing | 1.42Å | 1.36Å | |
| C15 | H151 | sing | 0.98Å | 1.10Å | |
| C15 | H152 | sing | 0.98Å | 1.10Å | |
| O5 | H05 | sing | 0.85Å | 0.95Å | |
| C16 | H161 | sing | 0.93Å | 1.08Å | |
| FE | O7 | sing | 2.08Å | 1.98Å | |
| FE | O8 | sing | 2.22Å | 2.05Å | |
| FE | O11 | sing | 1.92Å | 1.98Å | |
| FE | O12 | sing | 2.21Å | 2.00Å | |
| N4 | C17 | sing | 1.35Å | 1.33Å | |
| N4 | O7 | sing | 1.30Å | 1.31Å | |
| C17 | C18 | sing | 1.49Å | 1.57Å | |
| C17 | O8 | doub | 1.23Å | 1.29Å | |
| C18 | C19 | doub | 1.33Å | 1.35Å | |
| C18 | H181 | sing | 0.93Å | 1.08Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C19 | CJ' | sing | 1.51Å | 36.92Å | |
| C20 | C21 | sing | 1.52Å | 1.56Å | |
| C20 | H201 | sing | 0.98Å | 1.10Å | |
| C20 | H202 | sing | 0.98Å | 1.10Å | |
| C21 | O6 | sing | 1.46Å | 1.46Å | |
| C21 | H211 | sing | 0.98Å | 1.10Å | |
| C21 | H212 | sing | 0.98Å | 1.10Å | |
| O6 | C23 | sing | 1.34Å | 1.46Å | |
| C23 | C24 | sing | 1.53Å | 1.57Å | |
| C23 | O10 | doub | 1.20Å | 1.26Å | |
| C24 | C25 | sing | 1.55Å | 1.54Å | |
| C24 | N6 | sing | 1.46Å | 1.38Å | |
| C24 | H241 | sing | 0.99Å | 1.10Å | |
| C25 | C26 | sing | 1.55Å | 1.55Å | |
| C25 | H251 | sing | 0.98Å | 1.10Å | |
| C25 | H252 | sing | 0.97Å | 1.10Å | |
| C26 | C27 | sing | 1.54Å | 1.54Å | |
| C26 | H261 | sing | 0.98Å | 1.10Å | |
| C26 | H262 | sing | 0.98Å | 1.10Å | |
| C27 | N5 | sing | 1.47Å | 1.38Å | |
| C27 | H271 | sing | 0.97Å | 1.10Å | |
| C27 | H272 | sing | 0.96Å | 1.10Å | |
| N5 | C28 | sing | 1.38Å | 1.28Å | |
| N5 | O11 | sing | 1.30Å | 1.35Å | |
| C28 | C29 | sing | 1.50Å | 1.60Å | |
| C28 | O12 | doub | 1.24Å | 1.23Å | |
| C29 | C30 | doub | 1.34Å | 1.55Å | |
| C29 | H292 | sing | 0.93Å | 1.08Å | |
| C30 | C31 | sing | 1.52Å | 1.60Å | |
| C30 | C33 | sing | 1.51Å | 1.44Å | |
| C31 | C32 | sing | 1.52Å | 1.57Å | |
| C31 | H311 | sing | 0.98Å | 1.10Å | |
| C31 | H312 | sing | 0.98Å | 1.10Å | |
| C32 | O9 | sing | 1.42Å | 1.44Å | |
| C32 | H321 | sing | 0.98Å | 1.10Å | |
| C32 | H322 | sing | 0.98Å | 1.10Å | |
| O9 | H09 | sing | 0.85Å | 0.95Å | |
| C33 | H331 | sing | 0.97Å | 1.10Å | |
| C33 | H332 | sing | 0.97Å | 1.10Å | |
| C33 | H333 | sing | 0.97Å | 1.10Å | |
| N6 | C34 | sing | 1.34Å | 1.36Å | |
| N6 | HN61 | sing | 0.88Å | 1.00Å | |
| C34 | O13 | doub | 1.25Å | 1.29Å | |
| C34 | C35 | sing | 1.52Å | 1.54Å | |
| C35 | H351 | sing | 0.97Å | 1.10Å | |
| C35 | H352 | sing | 0.97Å | 1.10Å | |
| C35 | H353 | sing | 0.97Å | 1.10Å | |
| CJ' | H191 | sing | 0.97Å | 0.00Å | |
| CJ' | H192 | sing | 0.97Å | 0.00Å | |
| CJ' | H193 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O1 | 120.6° | 119.5° |
| C2 | C1 | N3 | 119.8° | 117.6° |
| C1 | C2 | C3 | 112.3° | 110.9° |
| C1 | C2 | N2 | 113.7° | 111.2° |
| C1 | C2 | H21 | 102.6° | 107.1° |
| O1 | C1 | N3 | 119.5° | 122.9° |
| C1 | N3 | C8 | 128.2° | 126.9° |
| C1 | N3 | HN31 | 115.9° | 117.2° |
| C3 | C2 | N2 | 102.5° | 112.6° |
| C3 | C2 | H21 | 113.8° | 106.1° |
| C2 | C3 | C4 | 123.3° | 117.6° |
| C2 | C3 | H31 | 105.1° | 107.6° |
| C2 | C3 | H32 | 105.1° | 106.2° |
| N2 | C2 | H21 | 112.4° | 108.6° |
| C2 | N2 | C7 | 127.1° | 126.8° |
| C2 | N2 | HN21 | 116.4° | 115.8° |
| C4 | C3 | H31 | 105.1° | 108.4° |
| C4 | C3 | H32 | 105.1° | 108.9° |
| C3 | C4 | C5 | 119.3° | 116.4° |
| C3 | C4 | H41 | 106.3° | 108.9° |
| C3 | C4 | H42 | 106.3° | 108.4° |
| H31 | C3 | H32 | 113.4° | 107.8° |
| C5 | C4 | H41 | 106.3° | 108.3° |
| C5 | C4 | H42 | 106.3° | 108.4° |
| C4 | C5 | N1 | 108.6° | 116.0° |
| C4 | C5 | H51 | 109.8° | 107.9° |
| C4 | C5 | H52 | 109.7° | 108.1° |
| H41 | C4 | H42 | 112.4° | 105.9° |
| N1 | C5 | H51 | 109.8° | 108.3° |
| N1 | C5 | H52 | 109.8° | 109.0° |
| C5 | N1 | C6 | 120.7° | 130.6° |
| C5 | N1 | O2 | 120.2° | 111.1° |
| H51 | C5 | H52 | 109.2° | 107.3° |
| C6 | N1 | O2 | 119.1° | 118.3° |
| N1 | C6 | O3 | 119.2° | 116.4° |
| N1 | C6 | C16 | 120.6° | 122.2° |
| N1 | O2 | FE | 108.9° | 110.8° |
| O3 | C6 | C16 | 120.1° | 121.4° |
| C6 | O3 | FE | 113.4° | 111.2° |
| C6 | C16 | C13 | 123.3° | 132.9° |
| C6 | C16 | H161 | 118.4° | 112.1° |
| C7 | N2 | HN21 | 116.4° | 117.4° |
| N2 | C7 | C8 | 119.4° | 117.7° |
| N2 | C7 | O4 | 122.4° | 122.8° |
| O2 | FE | O3 | 78.3° | 78.4° |
| O2 | FE | O7 | 99.4° | 80.6° |
| O2 | FE | O8 | 93.0° | 112.8° |
| O2 | FE | O11 | 83.6° | 80.2° |
| O2 | FE | O12 | 160.7° | 146.0° |
| O3 | FE | O7 | 86.4° | 84.0° |
| O3 | FE | O8 | 162.4° | 156.0° |
| O3 | FE | O11 | 105.5° | 114.4° |
| O3 | FE | O12 | 97.9° | 87.4° |
| C8 | C7 | O4 | 118.2° | 119.5° |
| C7 | C8 | C9 | 97.4° | 110.9° |
| C7 | C8 | N3 | 111.6° | 110.9° |
| C7 | C8 | H81 | 113.1° | 106.7° |
| C9 | C8 | N3 | 100.4° | 114.7° |
| C9 | C8 | H81 | 122.6° | 105.3° |
| C8 | C9 | C10 | 122.6° | 119.5° |
| C8 | C9 | H91 | 105.3° | 105.5° |
| C8 | C9 | H92 | 105.3° | 107.8° |
| N3 | C8 | H81 | 110.6° | 107.9° |
| C8 | N3 | HN31 | 115.9° | 115.8° |
| C10 | C9 | H91 | 105.3° | 107.9° |
| C10 | C9 | H92 | 105.3° | 108.5° |
| C9 | C10 | C11 | 117.1° | 115.9° |
| C9 | C10 | H101 | 107.0° | 109.0° |
| C9 | C10 | H102 | 107.0° | 108.6° |
| H91 | C9 | H92 | 113.3° | 107.1° |
| C11 | C10 | H101 | 107.0° | 108.5° |
| C11 | C10 | H102 | 107.0° | 108.4° |
| C10 | C11 | N4 | 120.9° | 116.4° |
| C10 | C11 | H111 | 105.8° | 108.3° |
| C10 | C11 | H112 | 105.8° | 107.8° |
| H101 | C10 | H102 | 111.9° | 105.9° |
| N4 | C11 | H111 | 105.8° | 108.2° |
| N4 | C11 | H112 | 105.8° | 108.8° |
| C11 | N4 | C17 | 120.7° | 125.9° |
| C11 | N4 | O7 | 120.1° | 117.1° |
| H111 | C11 | H112 | 112.9° | 106.9° |
| C13 | C12 | H121 | 109.5° | 110.5° |
| C13 | C12 | H122 | 109.5° | 109.5° |
| C13 | C12 | H123 | 109.5° | 109.5° |
| C12 | C13 | C14 | 119.9° | 115.2° |
| C12 | C13 | C16 | 120.1° | 125.8° |
| H121 | C12 | H122 | 109.5° | 109.2° |
| H121 | C12 | H123 | 109.4° | 108.9° |
| H122 | C12 | H123 | 109.5° | 109.2° |
| C14 | C13 | C16 | 120.0° | 119.0° |
| C13 | C14 | C15 | 105.9° | 113.9° |
| C13 | C14 | H141 | 110.7° | 109.1° |
| C13 | C14 | H142 | 110.7° | 109.6° |
| C13 | C16 | H161 | 118.4° | 114.9° |
| C15 | C14 | H141 | 110.7° | 108.4° |
| C15 | C14 | H142 | 110.7° | 108.6° |
| C14 | C15 | O5 | 108.1° | 111.1° |
| C14 | C15 | H151 | 109.9° | 109.5° |
| C14 | C15 | H152 | 109.9° | 109.5° |
| H141 | C14 | H142 | 108.2° | 107.1° |
| O5 | C15 | H151 | 109.9° | 109.3° |
| O5 | C15 | H152 | 109.9° | 109.3° |
| C15 | O5 | H05 | 109.5° | 108.9° |
| H151 | C15 | H152 | 109.0° | 108.0° |
| O7 | FE | O8 | 79.9° | 77.5° |
| O7 | FE | O11 | 168.1° | 149.8° |
| O7 | FE | O12 | 99.2° | 128.8° |
| FE | O7 | N4 | 111.5° | 106.2° |
| O8 | FE | O11 | 88.5° | 88.9° |
| O8 | FE | O12 | 95.2° | 92.5° |
| FE | O8 | C17 | 109.7° | 104.7° |
| O11 | FE | O12 | 79.2° | 77.9° |
| FE | O11 | N5 | 106.6° | 113.6° |
| FE | O12 | C28 | 110.8° | 107.5° |
| C17 | N4 | O7 | 119.2° | 116.9° |
| N4 | C17 | C18 | 120.7° | 119.7° |
| N4 | C17 | O8 | 119.1° | 117.9° |
| C18 | C17 | O8 | 120.2° | 122.4° |
| C17 | C18 | C19 | 126.1° | 128.6° |
| C17 | C18 | H181 | 116.9° | 115.1° |
| C19 | C18 | H181 | 117.0° | 116.3° |
| C18 | C19 | C20 | 120.0° | 119.4° |
| C18 | C19 | CJ' | 147.3° | 124.5° |
| C20 | C19 | CJ' | 84.5° | 115.6° |
| C19 | C20 | C21 | 110.1° | 115.1° |
| C19 | C20 | H201 | 109.3° | 109.5° |
| C19 | C20 | H202 | 109.3° | 108.9° |
| C19 | CJ' | H191 | 90.0° | 109.9° |
| C19 | CJ' | H192 | 90.0° | 109.5° |
| C19 | CJ' | H193 | 90.0° | 109.9° |
| C21 | C20 | H201 | 109.3° | 108.0° |
| C21 | C20 | H202 | 109.3° | 107.9° |
| C20 | C21 | O6 | 108.0° | 106.8° |
| C20 | C21 | H211 | 109.9° | 110.1° |
| C20 | C21 | H212 | 110.0° | 109.9° |
| H201 | C20 | H202 | 109.7° | 107.3° |
| O6 | C21 | H211 | 110.0° | 109.7° |
| O6 | C21 | H212 | 110.0° | 111.8° |
| C21 | O6 | C23 | 108.2° | 121.4° |
| H211 | C21 | H212 | 109.0° | 108.6° |
| O6 | C23 | C24 | 119.9° | 109.7° |
| O6 | C23 | O10 | 120.0° | 125.0° |
| C24 | C23 | O10 | 120.0° | 125.2° |
| C23 | C24 | C25 | 112.5° | 116.8° |
| C23 | C24 | N6 | 104.5° | 109.9° |
| C23 | C24 | H241 | 108.9° | 105.1° |
| C25 | C24 | N6 | 103.2° | 110.3° |
| C25 | C24 | H241 | 110.1° | 106.5° |
| C24 | C25 | C26 | 113.6° | 117.4° |
| C24 | C25 | H251 | 108.1° | 107.9° |
| C24 | C25 | H252 | 108.1° | 108.4° |
| N6 | C24 | H241 | 117.5° | 107.6° |
| C24 | N6 | C34 | 130.3° | 124.3° |
| C24 | N6 | HN61 | 114.9° | 115.2° |
| C26 | C25 | H251 | 108.1° | 107.6° |
| C26 | C25 | H252 | 108.1° | 108.4° |
| C25 | C26 | C27 | 110.9° | 120.3° |
| C25 | C26 | H261 | 109.0° | 109.0° |
| C25 | C26 | H262 | 109.0° | 107.3° |
| H251 | C25 | H252 | 110.8° | 106.6° |
| C27 | C26 | H261 | 109.0° | 107.2° |
| C27 | C26 | H262 | 109.0° | 107.0° |
| C26 | C27 | N5 | 120.7° | 115.6° |
| C26 | C27 | H271 | 105.9° | 107.7° |
| C26 | C27 | H272 | 105.9° | 108.2° |
| H261 | C26 | H262 | 110.0° | 105.0° |
| N5 | C27 | H271 | 105.9° | 108.7° |
| N5 | C27 | H272 | 105.9° | 109.4° |
| C27 | N5 | C28 | 120.7° | 133.0° |
| C27 | N5 | O11 | 120.3° | 109.3° |
| H271 | C27 | H272 | 112.8° | 106.9° |
| C28 | N5 | O11 | 119.0° | 117.4° |
| N5 | C28 | C29 | 120.8° | 118.8° |
| N5 | C28 | O12 | 119.1° | 117.7° |
| C29 | C28 | O12 | 120.1° | 123.3° |
| C28 | C29 | C30 | 117.3° | 135.0° |
| C28 | C29 | H292 | 121.3° | 110.6° |
| C30 | C29 | H292 | 121.4° | 114.3° |
| C29 | C30 | C31 | 115.7° | 118.8° |
| C29 | C30 | C33 | 116.1° | 126.3° |
| C31 | C30 | C33 | 118.6° | 114.9° |
| C30 | C31 | C32 | 109.2° | 114.3° |
| C30 | C31 | H311 | 109.5° | 108.9° |
| C30 | C31 | H312 | 109.5° | 109.4° |
| C30 | C33 | H331 | 109.5° | 110.2° |
| C30 | C33 | H332 | 109.4° | 109.8° |
| C30 | C33 | H333 | 109.5° | 109.7° |
| C32 | C31 | H311 | 109.6° | 108.5° |
| C32 | C31 | H312 | 109.6° | 108.4° |
| C31 | C32 | O9 | 108.1° | 111.1° |
| C31 | C32 | H321 | 109.9° | 109.4° |
| C31 | C32 | H322 | 109.9° | 109.9° |
| H311 | C31 | H312 | 109.4° | 107.1° |
| O9 | C32 | H321 | 109.9° | 109.2° |
| O9 | C32 | H322 | 109.9° | 109.1° |
| C32 | O9 | H09 | 109.5° | 109.0° |
| H321 | C32 | H322 | 109.0° | 108.0° |
| H331 | C33 | H332 | 109.5° | 108.9° |
| H331 | C33 | H333 | 109.5° | 109.1° |
| H332 | C33 | H333 | 109.5° | 109.2° |
| C34 | N6 | HN61 | 114.8° | 120.5° |
| N6 | C34 | O13 | 120.0° | 122.9° |
| N6 | C34 | C35 | 120.1° | 117.1° |
| O13 | C34 | C35 | 119.9° | 120.0° |
| C34 | C35 | H351 | 109.5° | 110.3° |
| C34 | C35 | H352 | 109.5° | 109.5° |
| C34 | C35 | H353 | 109.5° | 109.5° |
| H351 | C35 | H352 | 109.4° | 109.2° |
| H351 | C35 | H353 | 109.5° | 109.2° |
| H352 | C35 | H353 | 109.5° | 109.1° |
| H191 | CJ' | H192 | 90.0° | 109.1° |
| H191 | CJ' | H193 | 90.0° | 109.3° |
| H192 | CJ' | H193 | 90.0° | 109.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O1 | N3 | 179.6° | 179.8° |
| C1 | C2 | C3 | N2 | 122.4° | 125.3° |
| C1 | C2 | C3 | H21 | 116.0° | 115.9° |
| C1 | C2 | N2 | H21 | 116.0° | 117.6° |
| C1 | C2 | C3 | C4 | 1.2° | 174.2° |
| C1 | C2 | C3 | H31 | 121.2° | 51.5° |
| C1 | C2 | C3 | H32 | 118.8° | 63.6° |
| C1 | C2 | N2 | C7 | 1.0° | 22.0° |
| C1 | C2 | N2 | HN21 | 178.9° | 156.9° |
| C2 | C1 | N3 | C8 | 0.3° | 2.0° |
| C2 | C1 | N3 | HN31 | 179.7° | 179.6° |
| O1 | C1 | C2 | C3 | 65.0° | 77.4° |
| O1 | C1 | C2 | N2 | 179.1° | 156.5° |
| O1 | C1 | C2 | H21 | 57.5° | 38.0° |
| O1 | C1 | N3 | C8 | 179.9° | 178.2° |
| O1 | C1 | N3 | HN31 | 0.1° | 0.6° |
| N3 | C1 | C2 | C3 | 114.6° | 102.5° |
| N3 | C1 | C2 | N2 | 1.3° | 23.7° |
| N3 | C1 | C2 | H21 | 122.9° | 142.2° |
| C1 | N3 | C8 | C7 | 0.9° | 22.5° |
| C1 | N3 | C8 | C9 | 101.4° | 104.1° |
| C1 | N3 | C8 | HN31 | 180.0° | 177.7° |
| C1 | N3 | C8 | H81 | 127.7° | 139.0° |
| C3 | C2 | N2 | H21 | 122.5° | 117.3° |
| C2 | C3 | C4 | H31 | 120.0° | 122.2° |
| C2 | C3 | C4 | H32 | 120.0° | 120.8° |
| C2 | C3 | H31 | H32 | 114.3° | 114.1° |
| C2 | C3 | C4 | C5 | 170.0° | 168.9° |
| C2 | C3 | C4 | H41 | 50.0° | 46.2° |
| C2 | C3 | C4 | H42 | 70.0° | 68.5° |
| C3 | C2 | N2 | C7 | 120.4° | 103.2° |
| C3 | C2 | N2 | HN21 | 59.6° | 77.9° |
| N2 | C2 | C3 | C4 | 123.7° | 60.4° |
| N2 | C2 | C3 | H31 | 116.3° | 176.9° |
| N2 | C2 | C3 | H32 | 3.6° | 61.7° |
| C2 | N2 | C7 | HN21 | 180.0° | 178.9° |
| C2 | N2 | C7 | C8 | 0.2° | 2.6° |
| C2 | N2 | C7 | O4 | 179.7° | 177.9° |
| H21 | C2 | C3 | C4 | 114.8° | 58.3° |
| H21 | C2 | C3 | H31 | 5.2° | 64.4° |
| H21 | C2 | C3 | H32 | 125.2° | 179.5° |
| H21 | C2 | N2 | C7 | 117.0° | 139.6° |
| H21 | C2 | N2 | HN21 | 62.9° | 39.3° |
| C4 | C3 | H31 | H32 | 114.3° | 117.7° |
| C3 | C4 | C5 | H41 | 120.0° | 123.0° |
| C3 | C4 | C5 | H42 | 120.0° | 122.5° |
| C3 | C4 | H41 | H42 | 116.0° | 116.4° |
| C3 | C4 | C5 | N1 | 103.3° | 50.0° |
| C3 | C4 | C5 | H51 | 136.7° | 171.7° |
| C3 | C4 | C5 | H52 | 16.7° | 72.6° |
| H31 | C3 | C4 | C5 | 70.0° | 68.8° |
| H31 | C3 | C4 | H41 | 170.0° | 168.5° |
| H31 | C3 | C4 | H42 | 50.0° | 53.7° |
| H32 | C3 | C4 | C5 | 50.0° | 48.2° |
| H32 | C3 | C4 | H41 | 70.0° | 74.5° |
| H32 | C3 | C4 | H42 | 170.0° | 170.7° |
| C5 | C4 | H41 | H42 | 115.9° | 116.1° |
| C4 | C5 | N1 | H51 | 120.0° | 121.4° |
| C4 | C5 | N1 | H52 | 120.0° | 122.2° |
| C4 | C5 | H51 | H52 | 120.3° | 116.2° |
| C4 | C5 | N1 | C6 | 121.0° | 80.7° |
| C4 | C5 | N1 | O2 | 58.6° | 95.8° |
| H41 | C4 | C5 | N1 | 16.7° | 73.0° |
| H41 | C4 | C5 | H51 | 103.3° | 48.7° |
| H41 | C4 | C5 | H52 | 136.7° | 164.4° |
| H42 | C4 | C5 | N1 | 136.7° | 172.5° |
| H42 | C4 | C5 | H51 | 16.7° | 65.8° |
| H42 | C4 | C5 | H52 | 103.3° | 49.9° |
| N1 | C5 | H51 | H52 | 120.4° | 117.5° |
| C5 | N1 | C6 | O2 | 179.6° | 176.3° |
| C5 | N1 | C6 | O3 | 179.7° | 159.4° |
| C5 | N1 | C6 | C16 | 0.2° | 22.7° |
| C5 | N1 | O2 | FE | 172.2° | 173.2° |
| H51 | C5 | N1 | C6 | 119.0° | 40.7° |
| H51 | C5 | N1 | O2 | 61.4° | 142.8° |
| H52 | C5 | N1 | C6 | 1.0° | 157.1° |
| H52 | C5 | N1 | O2 | 178.6° | 26.4° |
| N1 | C6 | O3 | C16 | 179.9° | 177.9° |
| C6 | N1 | O2 | FE | 7.5° | 9.8° |
| N1 | C6 | O3 | FE | 7.7° | 24.4° |
| N1 | C6 | C16 | C13 | 163.0° | 165.4° |
| N1 | C6 | C16 | H161 | 17.1° | 16.5° |
| O2 | N1 | C6 | O3 | 0.1° | 24.3° |
| O2 | N1 | C6 | C16 | 179.8° | 153.6° |
| N1 | O2 | FE | O3 | 8.1° | 2.2° |
| N1 | O2 | FE | O7 | 76.2° | 83.6° |
| N1 | O2 | FE | O8 | 156.4° | 155.6° |
| N1 | O2 | FE | O11 | 115.5° | 119.8° |
| N1 | O2 | FE | O12 | 88.4° | 69.4° |
| C6 | O3 | FE | O2 | 8.9° | 14.7° |
| O3 | C6 | C16 | C13 | 17.1° | 12.3° |
| O3 | C6 | C16 | H161 | 162.8° | 165.7° |
| C6 | O3 | FE | O7 | 91.4° | 66.8° |
| C6 | O3 | FE | O8 | 52.7° | 106.0° |
| C6 | O3 | FE | O11 | 88.8° | 88.2° |
| C6 | O3 | FE | O12 | 169.7° | 163.7° |
| C16 | C6 | O3 | FE | 172.2° | 153.4° |
| C6 | C16 | C13 | C12 | 37.7° | 0.7° |
| C6 | C16 | C13 | C14 | 142.0° | 179.7° |
| C6 | C16 | C13 | H161 | 180.0° | 178.0° |
| N2 | C7 | C8 | O4 | 179.9° | 179.5° |
| N2 | C7 | C8 | C9 | 103.1° | 104.5° |
| N2 | C7 | C8 | N3 | 1.1° | 24.1° |
| N2 | C7 | C8 | H81 | 126.6° | 141.4° |
| HN21 | N2 | C7 | C8 | 179.8° | 178.5° |
| HN21 | N2 | C7 | O4 | 0.3° | 1.0° |
| O2 | FE | O3 | O7 | 100.3° | 81.6° |
| O2 | FE | O3 | O8 | 61.6° | 120.8° |
| O2 | FE | O3 | O11 | 79.9° | 73.5° |
| O2 | FE | O3 | O12 | 160.8° | 149.0° |
| O2 | FE | O7 | O8 | 91.4° | 116.0° |
| O2 | FE | O7 | O11 | 103.7° | 50.9° |
| O2 | FE | O7 | O12 | 174.9° | 161.0° |
| O2 | FE | O8 | O11 | 83.5° | 78.9° |
| O2 | FE | O8 | O12 | 162.5° | 156.7° |
| O2 | FE | O11 | O12 | 171.2° | 153.9° |
| O2 | FE | O7 | N4 | 98.4° | 101.5° |
| O2 | FE | O8 | C17 | 105.7° | 82.3° |
| O2 | FE | O11 | N5 | 170.5° | 168.0° |
| O2 | FE | O12 | C28 | 47.1° | 51.2° |
| O3 | FE | O7 | O8 | 168.9° | 164.8° |
| O3 | FE | O7 | O11 | 178.8° | 130.1° |
| O3 | FE | O7 | O12 | 97.4° | 81.8° |
| O3 | FE | O8 | O11 | 143.2° | 167.1° |
| O3 | FE | O8 | O12 | 137.8° | 89.2° |
| O3 | FE | O11 | O12 | 95.2° | 81.5° |
| O3 | FE | O7 | N4 | 175.9° | 179.3° |
| O3 | FE | O8 | C17 | 46.1° | 31.7° |
| O3 | FE | O11 | N5 | 113.6° | 95.6° |
| O3 | FE | O12 | C28 | 124.1° | 115.9° |
| C7 | C8 | C9 | N3 | 113.7° | 126.5° |
| C7 | C8 | C9 | H81 | 123.5° | 115.0° |
| C7 | C8 | N3 | H81 | 126.8° | 116.5° |
| C7 | C8 | C9 | C10 | 86.4° | 154.9° |
| C7 | C8 | C9 | H91 | 153.6° | 83.6° |
| C7 | C8 | C9 | H92 | 33.6° | 30.6° |
| C7 | C8 | N3 | HN31 | 179.1° | 155.2° |
| O4 | C7 | C8 | C9 | 77.0° | 75.0° |
| O4 | C7 | C8 | N3 | 178.7° | 156.4° |
| O4 | C7 | C8 | H81 | 53.2° | 39.1° |
| C9 | C8 | N3 | H81 | 130.9° | 117.0° |
| C8 | C9 | C10 | H91 | 120.0° | 120.3° |
| C8 | C9 | C10 | H92 | 120.0° | 124.0° |
| C8 | C9 | H91 | H92 | 114.6° | 114.6° |
| C8 | C9 | C10 | C11 | 175.7° | 85.8° |
| C8 | C9 | C10 | H101 | 55.8° | 36.9° |
| C8 | C9 | C10 | H102 | 64.3° | 151.9° |
| C9 | C8 | N3 | HN31 | 78.7° | 78.3° |
| N3 | C8 | C9 | C10 | 160.0° | 28.4° |
| N3 | C8 | C9 | H91 | 40.0° | 149.9° |
| N3 | C8 | C9 | H92 | 80.0° | 96.0° |
| H81 | C8 | C9 | C10 | 37.1° | 90.1° |
| H81 | C8 | C9 | H91 | 82.9° | 31.4° |
| H81 | C8 | C9 | H92 | 157.1° | 145.6° |
| H81 | C8 | N3 | HN31 | 52.2° | 38.7° |
| C10 | C9 | H91 | H92 | 114.6° | 116.6° |
| C9 | C10 | C11 | H101 | 120.0° | 123.0° |
| C9 | C10 | C11 | H102 | 120.0° | 122.4° |
| C9 | C10 | H101 | H102 | 116.9° | 116.7° |
| C9 | C10 | C11 | N4 | 0.4° | 85.8° |
| C9 | C10 | C11 | H111 | 120.4° | 36.3° |
| C9 | C10 | C11 | H112 | 119.6° | 151.6° |
| H91 | C9 | C10 | C11 | 64.3° | 153.9° |
| H91 | C9 | C10 | H101 | 175.8° | 83.4° |
| H91 | C9 | C10 | H102 | 55.8° | 31.6° |
| H92 | C9 | C10 | C11 | 55.7° | 38.2° |
| H92 | C9 | C10 | H101 | 64.3° | 160.9° |
| H92 | C9 | C10 | H102 | 175.7° | 84.1° |
| C11 | C10 | H101 | H102 | 116.9° | 116.3° |
| C10 | C11 | N4 | H111 | 120.0° | 122.1° |
| C10 | C11 | N4 | H112 | 120.0° | 122.1° |
| C10 | C11 | H111 | H112 | 115.3° | 115.9° |
| C10 | C11 | N4 | C17 | 94.1° | 108.8° |
| C10 | C11 | N4 | O7 | 85.6° | 67.0° |
| H101 | C10 | C11 | N4 | 119.6° | 151.2° |
| H101 | C10 | C11 | H111 | 0.4° | 86.7° |
| H101 | C10 | C11 | H112 | 120.4° | 28.6° |
| H102 | C10 | C11 | N4 | 120.4° | 36.6° |
| H102 | C10 | C11 | H111 | 119.6° | 158.7° |
| H102 | C10 | C11 | H112 | 0.4° | 86.0° |
| N4 | C11 | H111 | H112 | 115.3° | 117.1° |
| C11 | N4 | O7 | FE | 173.7° | 146.6° |
| C11 | N4 | C17 | O7 | 179.7° | 175.8° |
| C11 | N4 | C17 | C18 | 1.3° | 47.9° |
| C11 | N4 | C17 | O8 | 179.8° | 132.9° |
| H111 | C11 | N4 | C17 | 145.9° | 129.1° |
| H111 | C11 | N4 | O7 | 34.4° | 55.1° |
| H112 | C11 | N4 | C17 | 25.9° | 13.3° |
| H112 | C11 | N4 | O7 | 154.4° | 170.9° |
| C13 | C12 | H121 | H122 | 120.0° | 120.5° |
| C13 | C12 | H121 | H123 | 120.0° | 120.3° |
| C13 | C12 | H122 | H123 | 120.0° | 119.9° |
| C12 | C13 | C14 | C16 | 179.7° | 179.1° |
| C12 | C13 | C14 | C15 | 76.7° | 93.7° |
| C12 | C13 | C14 | H141 | 43.3° | 145.0° |
| C12 | C13 | C14 | H142 | 163.3° | 28.0° |
| C12 | C13 | C16 | H161 | 142.2° | 178.7° |
| H121 | C12 | H122 | H123 | 120.0° | 119.0° |
| H121 | C12 | C13 | C14 | 180.0° | 20.6° |
| H121 | C12 | C13 | C16 | 0.3° | 158.4° |
| H122 | C12 | C13 | C14 | 60.0° | 99.7° |
| H122 | C12 | C13 | C16 | 119.8° | 81.2° |
| H123 | C12 | C13 | C14 | 60.0° | 140.6° |
| H123 | C12 | C13 | C16 | 120.3° | 38.5° |
| C13 | C14 | C15 | H141 | 120.0° | 121.7° |
| C13 | C14 | C15 | H142 | 120.0° | 122.3° |
| C13 | C14 | H141 | H142 | 121.4° | 118.5° |
| C13 | C14 | C15 | O5 | 166.0° | 178.2° |
| C13 | C14 | C15 | H151 | 74.0° | 57.4° |
| C13 | C14 | C15 | H152 | 46.0° | 60.9° |
| C14 | C13 | C16 | H161 | 38.0° | 2.3° |
| C16 | C13 | C14 | C15 | 103.6° | 85.4° |
| C16 | C13 | C14 | H141 | 136.4° | 35.9° |
| C16 | C13 | C14 | H142 | 16.5° | 152.9° |
| C15 | C14 | H141 | H142 | 121.4° | 117.0° |
| C14 | C15 | O5 | H151 | 120.0° | 120.9° |
| C14 | C15 | O5 | H152 | 120.0° | 121.0° |
| C14 | C15 | H151 | H152 | 120.5° | 119.1° |
| C14 | C15 | O5 | H05 | 180.0° | 179.9° |
| H141 | C14 | C15 | O5 | 46.0° | 60.1° |
| H141 | C14 | C15 | H151 | 166.0° | 179.0° |
| H141 | C14 | C15 | H152 | 74.0° | 60.8° |
| H142 | C14 | C15 | O5 | 73.9° | 55.9° |
| H142 | C14 | C15 | H151 | 46.1° | 64.9° |
| H142 | C14 | C15 | H152 | 166.0° | 176.8° |
| O5 | C15 | H151 | H152 | 120.6° | 118.9° |
| H151 | C15 | O5 | H05 | 60.0° | 59.1° |
| H152 | C15 | O5 | H05 | 60.0° | 59.0° |
| O7 | FE | O8 | O11 | 177.5° | 152.9° |
| O7 | FE | O8 | O12 | 98.5° | 129.3° |
| O7 | FE | O11 | O12 | 83.5° | 155.1° |
| FE | O7 | N4 | C17 | 6.6° | 37.2° |
| O7 | FE | O8 | C17 | 6.7° | 8.3° |
| O7 | FE | O11 | N5 | 65.2° | 141.0° |
| O7 | FE | O12 | C28 | 148.3° | 163.9° |
| O8 | FE | O11 | O12 | 95.6° | 92.8° |
| FE | O8 | C17 | N4 | 5.5° | 31.4° |
| O8 | FE | O7 | N4 | 7.0° | 14.6° |
| FE | O8 | C17 | C18 | 175.6° | 147.8° |
| O8 | FE | O11 | N5 | 77.3° | 78.6° |
| O8 | FE | O12 | C28 | 67.7° | 88.0° |
| O11 | FE | O7 | N4 | 5.2° | 50.5° |
| O11 | FE | O8 | C17 | 170.8° | 161.2° |
| FE | O11 | N5 | C27 | 163.8° | 158.6° |
| FE | O11 | N5 | C28 | 16.6° | 26.6° |
| O11 | FE | O12 | C28 | 19.8° | 0.3° |
| O12 | FE | O7 | N4 | 86.7° | 97.5° |
| O12 | FE | O8 | C17 | 91.8° | 121.0° |
| FE | O12 | C28 | N5 | 16.9° | 13.1° |
| O12 | FE | O11 | N5 | 18.3° | 14.1° |
| FE | O12 | C28 | C29 | 163.6° | 172.3° |
| N4 | C17 | C18 | O8 | 178.9° | 179.1° |
| N4 | C17 | C18 | C19 | 83.1° | 147.7° |
| N4 | C17 | C18 | H181 | 96.9° | 31.6° |
| O7 | N4 | C17 | C18 | 178.4° | 127.9° |
| O7 | N4 | C17 | O8 | 0.6° | 51.3° |
| C17 | C18 | C19 | H181 | 180.0° | 179.3° |
| C17 | C18 | C19 | C20 | 160.7° | 138.5° |
| C17 | C18 | C19 | CJ' | 65.4° | 49.9° |
| O8 | C17 | C18 | C19 | 97.9° | 33.2° |
| O8 | C17 | C18 | H181 | 82.0° | 147.5° |
| C18 | C19 | C20 | CJ' | 157.0° | 172.3° |
| C18 | C19 | C20 | C21 | 102.0° | 88.8° |
| C18 | C19 | C20 | H201 | 138.0° | 149.3° |
| C18 | C19 | C20 | H202 | 18.0° | 32.4° |
| C18 | C19 | CJ' | H191 | 90.0° | 13.2° |
| C18 | C19 | CJ' | H192 | 90.0° | 106.7° |
| C18 | C19 | CJ' | H193 | 90.0° | 133.5° |
| H181 | C18 | C19 | C20 | 19.3° | 42.2° |
| H181 | C18 | C19 | CJ' | 114.7° | 129.4° |
| C19 | C20 | C21 | H201 | 120.0° | 122.6° |
| C19 | C20 | C21 | H202 | 120.0° | 121.7° |
| C19 | C20 | H201 | H202 | 119.8° | 118.0° |
| C19 | C20 | C21 | O6 | 67.2° | 42.9° |
| C19 | C20 | C21 | H211 | 52.8° | 161.8° |
| C19 | C20 | C21 | H212 | 172.8° | 78.6° |
| C20 | C19 | CJ' | H191 | 90.0° | 174.9° |
| C20 | C19 | CJ' | H192 | 90.0° | 65.2° |
| C20 | C19 | CJ' | H193 | 90.0° | 54.7° |
| CJ' | C19 | C20 | C21 | 101.0° | 98.8° |
| CJ' | C19 | C20 | H201 | 19.0° | 23.0° |
| CJ' | C19 | C20 | H202 | 139.0° | 139.9° |
| C19 | CJ' | H191 | H192 | 90.0° | 120.1° |
| C19 | CJ' | H191 | H193 | 90.0° | 120.6° |
| C19 | CJ' | H192 | H193 | 90.0° | 120.3° |
| C21 | C20 | H201 | H202 | 119.8° | 116.1° |
| C20 | C21 | O6 | H211 | 120.0° | 119.2° |
| C20 | C21 | O6 | H212 | 120.0° | 120.2° |
| C20 | C21 | H211 | H212 | 120.6° | 120.3° |
| C20 | C21 | O6 | C23 | 116.8° | 121.6° |
| H201 | C20 | C21 | O6 | 172.9° | 79.7° |
| H201 | C20 | C21 | H211 | 67.2° | 39.3° |
| H201 | C20 | C21 | H212 | 52.9° | 158.8° |
| H202 | C20 | C21 | O6 | 52.8° | 164.6° |
| H202 | C20 | C21 | H211 | 172.8° | 76.4° |
| H202 | C20 | C21 | H212 | 67.2° | 43.2° |
| O6 | C21 | H211 | H212 | 120.6° | 122.5° |
| C21 | O6 | C23 | C24 | 146.7° | 153.3° |
| C21 | O6 | C23 | O10 | 32.8° | 28.6° |
| H211 | C21 | O6 | C23 | 3.2° | 119.2° |
| H212 | C21 | O6 | C23 | 123.2° | 1.4° |
| O6 | C23 | C24 | O10 | 179.6° | 178.1° |
| O6 | C23 | C24 | C25 | 152.9° | 166.2° |
| O6 | C23 | C24 | N6 | 41.6° | 39.5° |
| O6 | C23 | C24 | H241 | 84.7° | 76.0° |
| C23 | C24 | C25 | N6 | 112.1° | 126.5° |
| C23 | C24 | C25 | H241 | 121.7° | 117.0° |
| C23 | C24 | N6 | H241 | 120.8° | 114.0° |
| C23 | C24 | C25 | C26 | 174.0° | 139.2° |
| C23 | C24 | C25 | H251 | 54.0° | 99.1° |
| C23 | C24 | C25 | H252 | 66.0° | 16.0° |
| C23 | C24 | N6 | C34 | 97.7° | 140.1° |
| C23 | C24 | N6 | HN61 | 82.3° | 41.0° |
| O10 | C23 | C24 | C25 | 27.5° | 11.9° |
| O10 | C23 | C24 | N6 | 138.8° | 138.6° |
| O10 | C23 | C24 | H241 | 94.8° | 105.8° |
| C25 | C24 | N6 | H241 | 121.3° | 115.8° |
| C24 | C25 | C26 | H251 | 120.0° | 121.8° |
| C24 | C25 | C26 | H252 | 120.0° | 123.2° |
| C24 | C25 | H251 | H252 | 118.3° | 116.3° |
| C24 | C25 | C26 | C27 | 92.5° | 116.3° |
| C24 | C25 | C26 | H261 | 147.5° | 8.0° |
| C24 | C25 | C26 | H262 | 27.5° | 121.3° |
| C25 | C24 | N6 | C34 | 144.5° | 89.7° |
| C25 | C24 | N6 | HN61 | 35.5° | 89.2° |
| N6 | C24 | C25 | C26 | 73.9° | 94.3° |
| N6 | C24 | C25 | H251 | 166.1° | 27.4° |
| N6 | C24 | C25 | H252 | 46.1° | 142.5° |
| C24 | N6 | C34 | HN61 | 180.0° | 178.8° |
| C24 | N6 | C34 | O13 | 44.9° | 3.9° |
| C24 | N6 | C34 | C35 | 135.2° | 174.9° |
| H241 | C24 | C25 | C26 | 52.3° | 22.2° |
| H241 | C24 | C25 | H251 | 67.7° | 143.9° |
| H241 | C24 | C25 | H252 | 172.3° | 101.0° |
| H241 | C24 | N6 | C34 | 23.1° | 26.1° |
| H241 | C24 | N6 | HN61 | 156.9° | 155.0° |
| C26 | C25 | H251 | H252 | 118.3° | 116.1° |
| C25 | C26 | C27 | H261 | 120.0° | 125.2° |
| C25 | C26 | C27 | H262 | 120.0° | 122.6° |
| C25 | C26 | H261 | H262 | 119.4° | 114.7° |
| C25 | C26 | C27 | N5 | 79.2° | 48.5° |
| C25 | C26 | C27 | H271 | 40.8° | 170.3° |
| C25 | C26 | C27 | H272 | 160.8° | 74.4° |
| H251 | C25 | C26 | C27 | 27.5° | 121.9° |
| H251 | C25 | C26 | H261 | 92.5° | 113.8° |
| H251 | C25 | C26 | H262 | 147.5° | 0.6° |
| H252 | C25 | C26 | C27 | 147.5° | 6.9° |
| H252 | C25 | C26 | H261 | 27.5° | 131.2° |
| H252 | C25 | C26 | H262 | 92.5° | 115.5° |
| C27 | C26 | H261 | H262 | 119.4° | 113.5° |
| C26 | C27 | N5 | H271 | 120.0° | 121.2° |
| C26 | C27 | N5 | H272 | 120.0° | 122.3° |
| C26 | C27 | H271 | H272 | 115.3° | 116.1° |
| C26 | C27 | N5 | C28 | 121.1° | 86.3° |
| C26 | C27 | N5 | O11 | 59.2° | 100.0° |
| H261 | C26 | C27 | N5 | 160.8° | 76.7° |
| H261 | C26 | C27 | H271 | 79.2° | 45.1° |
| H261 | C26 | C27 | H272 | 40.8° | 160.4° |
| H262 | C26 | C27 | N5 | 40.8° | 171.1° |
| H262 | C26 | C27 | H271 | 160.8° | 67.1° |
| H262 | C26 | C27 | H272 | 79.2° | 48.1° |
| N5 | C27 | H271 | H272 | 115.4° | 118.0° |
| C27 | N5 | C28 | O11 | 179.7° | 173.3° |
| C27 | N5 | C28 | C29 | 0.1° | 15.5° |
| C27 | N5 | C28 | O12 | 179.7° | 159.3° |
| H271 | C27 | N5 | C28 | 1.1° | 152.5° |
| H271 | C27 | N5 | O11 | 179.2° | 21.2° |
| H272 | C27 | N5 | C28 | 118.9° | 36.0° |
| H272 | C27 | N5 | O11 | 60.8° | 137.7° |
| N5 | C28 | C29 | O12 | 179.5° | 174.5° |
| N5 | C28 | C29 | C30 | 127.6° | 161.8° |
| N5 | C28 | C29 | H292 | 52.4° | 21.5° |
| O11 | N5 | C28 | C29 | 179.5° | 157.8° |
| O11 | N5 | C28 | O12 | 0.0° | 27.4° |
| C28 | C29 | C30 | H292 | 180.0° | 176.7° |
| C28 | C29 | C30 | C31 | 146.7° | 179.1° |
| C28 | C29 | C30 | C33 | 0.8° | 0.0° |
| O12 | C28 | C29 | C30 | 52.9° | 23.8° |
| O12 | C28 | C29 | H292 | 127.1° | 153.0° |
| C29 | C30 | C31 | C33 | 145.0° | 179.2° |
| C29 | C30 | C31 | C32 | 160.2° | 78.4° |
| C29 | C30 | C31 | H311 | 79.7° | 43.0° |
| C29 | C30 | C31 | H312 | 40.2° | 159.8° |
| C29 | C30 | C33 | H331 | 180.0° | 1.8° |
| C29 | C30 | C33 | H332 | 60.0° | 121.8° |
| C29 | C30 | C33 | H333 | 60.0° | 118.3° |
| H292 | C29 | C30 | C31 | 33.3° | 4.2° |
| H292 | C29 | C30 | C33 | 179.2° | 176.7° |
| C30 | C31 | C32 | H311 | 120.0° | 121.7° |
| C30 | C31 | C32 | H312 | 120.0° | 122.4° |
| C30 | C31 | H311 | H312 | 120.1° | 118.2° |
| C30 | C31 | C32 | O9 | 107.6° | 151.1° |
| C30 | C31 | C32 | H321 | 132.4° | 88.2° |
| C30 | C31 | C32 | H322 | 12.4° | 30.2° |
| C31 | C30 | C33 | H331 | 35.1° | 177.2° |
| C31 | C30 | C33 | H332 | 155.1° | 57.3° |
| C31 | C30 | C33 | H333 | 84.9° | 62.6° |
| C33 | C30 | C31 | C32 | 54.7° | 100.7° |
| C33 | C30 | C31 | H311 | 65.3° | 137.8° |
| C33 | C30 | C31 | H312 | 174.7° | 21.1° |
| C30 | C33 | H331 | H332 | 120.0° | 120.4° |
| C30 | C33 | H331 | H333 | 120.0° | 120.5° |
| C30 | C33 | H332 | H333 | 120.0° | 120.2° |
| C32 | C31 | H311 | H312 | 120.1° | 116.8° |
| C31 | C32 | O9 | H321 | 120.0° | 120.8° |
| C31 | C32 | O9 | H322 | 120.0° | 121.4° |
| C31 | C32 | H321 | H322 | 120.6° | 119.6° |
| C31 | C32 | O9 | H09 | 180.0° | 178.7° |
| H311 | C31 | C32 | O9 | 12.4° | 29.4° |
| H311 | C31 | C32 | H321 | 107.6° | 150.1° |
| H311 | C31 | C32 | H322 | 132.4° | 91.5° |
| H312 | C31 | C32 | O9 | 132.4° | 86.5° |
| H312 | C31 | C32 | H321 | 12.4° | 34.1° |
| H312 | C31 | C32 | H322 | 107.6° | 152.5° |
| O9 | C32 | H321 | H322 | 120.5° | 118.6° |
| H321 | C32 | O9 | H09 | 60.0° | 60.5° |
| H322 | C32 | O9 | H09 | 60.0° | 57.4° |
| H331 | C33 | H332 | H333 | 120.0° | 119.1° |
| N6 | C34 | O13 | C35 | 179.9° | 178.8° |
| N6 | C34 | C35 | H351 | 179.9° | 6.4° |
| N6 | C34 | C35 | H352 | 59.9° | 126.6° |
| N6 | C34 | C35 | H353 | 60.1° | 113.7° |
| HN61 | N6 | C34 | O13 | 135.1° | 174.9° |
| HN61 | N6 | C34 | C35 | 44.7° | 6.2° |
| O13 | C34 | C35 | H351 | 0.0° | 174.7° |
| O13 | C34 | C35 | H352 | 120.0° | 54.5° |
| O13 | C34 | C35 | H353 | 120.0° | 65.2° |
| C34 | C35 | H351 | H352 | 120.0° | 120.4° |
| C34 | C35 | H351 | H353 | 120.0° | 120.4° |
| C34 | C35 | H352 | H353 | 120.0° | 119.9° |
| H351 | C35 | H352 | H353 | 120.0° | 119.3° |
| H191 | CJ' | H192 | H193 | 90.0° | 119.3° |
