ALB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C19 | sing | 1.51Å | 1.47Å | |
| C1 | N3 | sing | 1.31Å | 1.30Å | |
| C1 | O1 | doub | 1.19Å | 1.27Å | |
| C2 | C7 | sing | 1.50Å | 1.55Å | |
| C2 | N1 | sing | 1.34Å | 1.34Å | |
| C2 | O2 | doub | 1.21Å | 1.25Å | |
| C3 | C18 | sing | 1.51Å | 1.46Å | |
| C3 | N4 | sing | 1.32Å | 1.31Å | |
| C3 | O3 | doub | 1.19Å | 1.30Å | |
| C4 | C8 | sing | 1.49Å | 1.47Å | |
| C4 | N2 | sing | 1.33Å | 1.35Å | |
| C4 | O4 | doub | 1.22Å | 1.27Å | |
| C5 | C20 | sing | 1.50Å | 1.47Å | |
| C5 | N5 | sing | 1.31Å | 1.36Å | |
| C5 | O5 | doub | 1.20Å | 1.28Å | |
| C6 | C9 | sing | 1.52Å | 1.52Å | |
| C6 | C21 | sing | 1.50Å | 1.65Å | |
| C6 | N1 | sing | 1.46Å | 1.50Å | |
| C6 | H6 | sing | 1.11Å | 1.10Å | |
| C7 | C10 | sing | 1.53Å | 1.55Å | |
| C7 | N2 | sing | 1.44Å | 1.49Å | |
| C7 | H7 | sing | 1.12Å | 1.10Å | |
| C8 | C11 | sing | 1.53Å | 1.49Å | |
| C8 | N12 | sing | 1.47Å | 1.31Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | C12 | sing | 1.52Å | 1.51Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C9 | H91 | sing | 1.10Å | 1.10Å | |
| C10 | C13 | sing | 1.53Å | 1.53Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C11 | C14 | sing | 1.53Å | 1.51Å | |
| C11 | H112 | sing | 1.10Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C12 | C15 | sing | 1.54Å | 1.53Å | |
| C12 | H122 | sing | 1.10Å | 1.10Å | |
| C12 | H121 | sing | 1.08Å | 1.10Å | |
| C13 | C16 | sing | 1.51Å | 1.51Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.10Å | 1.10Å | |
| C14 | C17 | sing | 1.53Å | 1.52Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C15 | N3 | sing | 1.46Å | 1.49Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.10Å | 1.10Å | |
| C16 | N4 | sing | 1.45Å | 1.50Å | |
| C16 | H162 | sing | 1.10Å | 1.10Å | |
| C16 | H161 | sing | 1.10Å | 1.10Å | |
| C17 | N5 | sing | 1.46Å | 1.48Å | |
| C17 | H172 | sing | 1.08Å | 1.10Å | |
| C17 | H171 | sing | 1.10Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C19 | H193 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C20 | H203 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C21 | N6 | sing | 1.35Å | 1.36Å | |
| C21 | O9 | doub | 1.21Å | 1.23Å | |
| C22 | C23 | sing | 1.53Å | 1.51Å | |
| C22 | C24 | sing | 1.51Å | 1.74Å | |
| C22 | N6 | sing | 1.46Å | 1.47Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | O10 | sing | 1.43Å | 1.43Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C24 | N7 | sing | 1.35Å | 1.34Å | |
| C24 | O11 | doub | 1.21Å | 1.23Å | |
| C25 | C26 | sing | 1.51Å | 1.56Å | |
| C25 | C27 | sing | 1.53Å | 1.63Å | |
| C25 | N7 | sing | 1.47Å | 1.53Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | O12 | sing | 1.34Å | 1.31Å | |
| C26 | O13 | doub | 1.21Å | 1.27Å | |
| C27 | C31 | sing | 1.53Å | 1.52Å | |
| C27 | O14 | sing | 1.43Å | 1.43Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | C29 | sing | 1.52Å | 1.61Å | |
| C28 | C31 | sing | 1.55Å | 1.56Å | |
| C28 | O18 | sing | 1.43Å | 1.39Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | C30 | sing | 1.55Å | 1.60Å | |
| C29 | O17 | sing | 1.43Å | 1.39Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | S | sing | 1.85Å | 1.79Å | |
| C30 | N9 | sing | 1.46Å | 1.56Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | S | sing | 1.85Å | 1.78Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C32 | N8 | sing | 1.35Å | 1.36Å | |
| C32 | N9 | sing | 1.35Å | 1.32Å | |
| C32 | O15 | doub | 1.21Å | 1.28Å | |
| C33 | C35 | doub | 1.35Å | 1.34Å | |
| C33 | N9 | sing | 1.37Å | 1.29Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C34 | C35 | sing | 1.41Å | 1.44Å | |
| C34 | N8 | sing | 1.38Å | 1.40Å | |
| C34 | N11 | doub | 1.33Å | 1.28Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C36 | N8 | sing | 1.46Å | 1.33Å | |
| C36 | H363 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C37 | N10 | sing | 1.35Å | 1.34Å | |
| C37 | N11 | sing | 1.34Å | 1.33Å | |
| C37 | O16 | doub | 1.22Å | 1.25Å | |
| FE | O1 | sing | 1.99Å | 2.03Å | |
| FE | O3 | sing | 1.98Å | 2.01Å | |
| FE | O5 | sing | 1.98Å | 2.01Å | |
| FE | O6 | sing | 1.78Å | 1.97Å | |
| FE | O7 | sing | 1.79Å | 1.95Å | |
| FE | O8 | sing | 1.79Å | 1.96Å | |
| N1 | H1 | sing | 0.98Å | 1.00Å | |
| N2 | H2 | sing | 0.99Å | 1.00Å | |
| N3 | O6 | sing | 1.41Å | 1.36Å | |
| N4 | O7 | sing | 1.41Å | 1.38Å | |
| N5 | O8 | sing | 1.41Å | 1.35Å | |
| N6 | H6N | sing | 0.97Å | 1.00Å | |
| N7 | H7N1 | sing | 0.97Å | 1.00Å | |
| N10 | H1N3 | sing | 0.97Å | 1.00Å | |
| N10 | H1N2 | sing | 0.97Å | 1.00Å | |
| N12 | H1N4 | sing | 1.01Å | 1.00Å | |
| N12 | H1N5 | sing | 1.01Å | 1.00Å | |
| O10 | H10 | sing | 0.97Å | 0.95Å | |
| O12 | H12 | sing | 0.97Å | 0.95Å | |
| O14 | H14 | sing | 0.97Å | 0.95Å | |
| O17 | H17 | sing | 0.97Å | 0.95Å | |
| O18 | H18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C1 | N3 | 120.5° | 122.0° |
| C19 | C1 | O1 | 122.0° | 119.2° |
| C1 | C19 | H193 | 109.5° | 109.5° |
| C1 | C19 | H192 | 109.5° | 109.5° |
| C1 | C19 | H191 | 109.5° | 109.5° |
| N3 | C1 | O1 | 117.2° | 118.6° |
| C1 | N3 | C15 | 131.4° | 124.0° |
| C1 | N3 | O6 | 113.3° | 113.6° |
| C1 | O1 | FE | 115.8° | 109.3° |
| C7 | C2 | N1 | 114.9° | 124.7° |
| C7 | C2 | O2 | 113.8° | 116.3° |
| C2 | C7 | C10 | 103.8° | 110.5° |
| C2 | C7 | N2 | 115.1° | 114.0° |
| C2 | C7 | H7 | 108.1° | 105.8° |
| N1 | C2 | O2 | 115.2° | 119.0° |
| C2 | N1 | C6 | 124.4° | 123.1° |
| C2 | N1 | H1 | 117.8° | 118.7° |
| C18 | C3 | N4 | 117.9° | 121.1° |
| C18 | C3 | O3 | 123.0° | 120.0° |
| C3 | C18 | H183 | 109.5° | 109.4° |
| C3 | C18 | H182 | 109.4° | 109.5° |
| C3 | C18 | H181 | 109.5° | 109.5° |
| N4 | C3 | O3 | 118.8° | 118.9° |
| C3 | N4 | C16 | 130.2° | 121.6° |
| C3 | N4 | O7 | 113.7° | 114.5° |
| C3 | O3 | FE | 112.8° | 109.4° |
| C8 | C4 | N2 | 119.4° | 127.3° |
| C8 | C4 | O4 | 104.7° | 116.3° |
| C4 | C8 | C11 | 123.8° | 111.0° |
| C4 | C8 | N12 | 116.5° | 108.7° |
| C4 | C8 | H8 | 90.2° | 108.8° |
| N2 | C4 | O4 | 120.0° | 116.4° |
| C4 | N2 | C7 | 128.2° | 129.7° |
| C4 | N2 | H2 | 115.9° | 114.9° |
| C20 | C5 | N5 | 121.1° | 122.0° |
| C20 | C5 | O5 | 120.3° | 118.7° |
| C5 | C20 | H203 | 109.5° | 109.5° |
| C5 | C20 | H202 | 109.4° | 109.5° |
| C5 | C20 | H201 | 109.5° | 109.5° |
| N5 | C5 | O5 | 118.3° | 119.3° |
| C5 | N5 | C17 | 131.7° | 125.8° |
| C5 | N5 | O8 | 113.9° | 115.5° |
| C5 | O5 | FE | 112.2° | 109.1° |
| C9 | C6 | C21 | 114.7° | 111.2° |
| C9 | C6 | N1 | 107.1° | 113.3° |
| C9 | C6 | H6 | 102.9° | 106.6° |
| C6 | C9 | C12 | 114.1° | 112.9° |
| C6 | C9 | H92 | 108.3° | 108.6° |
| C6 | C9 | H91 | 108.3° | 109.0° |
| C21 | C6 | N1 | 124.3° | 112.1° |
| C21 | C6 | H6 | 101.8° | 106.3° |
| C6 | C21 | N6 | 115.9° | 120.0° |
| C6 | C21 | O9 | 104.9° | 120.1° |
| N1 | C6 | H6 | 103.1° | 106.7° |
| C6 | N1 | H1 | 117.8° | 118.2° |
| C10 | C7 | N2 | 112.4° | 113.8° |
| C10 | C7 | H7 | 108.2° | 105.2° |
| C7 | C10 | C13 | 116.5° | 108.7° |
| C7 | C10 | H102 | 107.7° | 109.1° |
| C7 | C10 | H101 | 107.7° | 110.0° |
| N2 | C7 | H7 | 109.0° | 106.7° |
| C7 | N2 | H2 | 115.9° | 115.4° |
| C11 | C8 | N12 | 119.7° | 110.7° |
| C11 | C8 | H8 | 90.2° | 109.3° |
| C8 | C11 | C14 | 113.5° | 110.3° |
| C8 | C11 | H112 | 108.5° | 109.5° |
| C8 | C11 | H111 | 108.5° | 110.2° |
| N12 | C8 | H8 | 90.2° | 108.2° |
| C8 | N12 | H1N4 | 109.5° | 106.7° |
| C8 | N12 | H1N5 | 109.5° | 106.7° |
| C12 | C9 | H92 | 108.3° | 110.0° |
| C12 | C9 | H91 | 108.3° | 108.6° |
| C9 | C12 | C15 | 113.0° | 110.6° |
| C9 | C12 | H122 | 108.6° | 109.8° |
| C9 | C12 | H121 | 108.6° | 111.3° |
| H92 | C9 | H91 | 109.5° | 107.5° |
| C13 | C10 | H102 | 107.7° | 109.2° |
| C13 | C10 | H101 | 107.7° | 110.4° |
| C10 | C13 | C16 | 111.8° | 114.0° |
| C10 | C13 | H132 | 108.9° | 109.6° |
| C10 | C13 | H131 | 108.9° | 107.9° |
| H102 | C10 | H101 | 109.4° | 109.3° |
| C14 | C11 | H112 | 108.5° | 108.9° |
| C14 | C11 | H111 | 108.5° | 109.8° |
| C11 | C14 | C17 | 111.0° | 110.3° |
| C11 | C14 | H142 | 109.1° | 110.0° |
| C11 | C14 | H141 | 109.1° | 109.3° |
| H112 | C11 | H111 | 109.4° | 108.2° |
| C15 | C12 | H122 | 108.6° | 108.0° |
| C15 | C12 | H121 | 108.6° | 108.5° |
| C12 | C15 | N3 | 113.7° | 109.5° |
| C12 | C15 | H152 | 108.4° | 109.5° |
| C12 | C15 | H151 | 108.4° | 108.2° |
| H122 | C12 | H121 | 109.5° | 108.5° |
| C16 | C13 | H132 | 108.9° | 109.4° |
| C16 | C13 | H131 | 108.9° | 108.4° |
| C13 | C16 | N4 | 112.3° | 115.1° |
| C13 | C16 | H162 | 108.8° | 108.2° |
| C13 | C16 | H161 | 108.8° | 108.8° |
| H132 | C13 | H131 | 109.5° | 107.2° |
| C17 | C14 | H142 | 109.1° | 108.9° |
| C17 | C14 | H141 | 109.1° | 109.1° |
| C14 | C17 | N5 | 112.7° | 109.7° |
| C14 | C17 | H172 | 108.6° | 109.2° |
| C14 | C17 | H171 | 108.7° | 108.5° |
| H142 | C14 | H141 | 109.5° | 109.2° |
| N3 | C15 | H152 | 108.4° | 111.7° |
| N3 | C15 | H151 | 108.4° | 109.3° |
| C15 | N3 | O6 | 114.9° | 122.4° |
| H152 | C15 | H151 | 109.5° | 108.6° |
| N4 | C16 | H162 | 108.8° | 108.4° |
| N4 | C16 | H161 | 108.7° | 108.6° |
| C16 | N4 | O7 | 115.7° | 123.9° |
| H162 | C16 | H161 | 109.5° | 107.6° |
| N5 | C17 | H172 | 108.7° | 111.9° |
| N5 | C17 | H171 | 108.7° | 108.8° |
| C17 | N5 | O8 | 114.0° | 118.7° |
| H172 | C17 | H171 | 109.5° | 108.7° |
| H183 | C18 | H182 | 109.5° | 109.4° |
| H183 | C18 | H181 | 109.4° | 109.5° |
| H182 | C18 | H181 | 109.5° | 109.5° |
| H193 | C19 | H192 | 109.5° | 109.4° |
| H193 | C19 | H191 | 109.5° | 109.4° |
| H192 | C19 | H191 | 109.5° | 109.5° |
| H203 | C20 | H202 | 109.5° | 109.4° |
| H203 | C20 | H201 | 109.5° | 109.5° |
| H202 | C20 | H201 | 109.5° | 109.5° |
| N6 | C21 | O9 | 113.4° | 120.0° |
| C21 | N6 | C22 | 125.8° | 120.0° |
| C21 | N6 | H6N | 117.1° | 120.0° |
| C23 | C22 | C24 | 111.5° | 109.4° |
| C23 | C22 | N6 | 110.2° | 109.5° |
| C23 | C22 | H22 | 112.7° | 109.4° |
| C22 | C23 | O10 | 116.2° | 109.5° |
| C22 | C23 | H232 | 107.8° | 109.5° |
| C22 | C23 | H231 | 107.7° | 109.5° |
| C24 | C22 | N6 | 98.6° | 109.5° |
| C24 | C22 | H22 | 109.6° | 109.5° |
| C22 | C24 | N7 | 114.4° | 120.0° |
| C22 | C24 | O11 | 121.6° | 120.0° |
| N6 | C22 | H22 | 113.4° | 109.5° |
| C22 | N6 | H6N | 117.1° | 120.0° |
| O10 | C23 | H232 | 107.8° | 109.5° |
| O10 | C23 | H231 | 107.8° | 109.5° |
| C23 | O10 | H10 | 109.5° | 106.8° |
| H232 | C23 | H231 | 109.5° | 109.5° |
| N7 | C24 | O11 | 102.7° | 120.0° |
| C24 | N7 | C25 | 123.9° | 120.0° |
| C24 | N7 | H7N1 | 118.0° | 120.1° |
| C26 | C25 | C27 | 105.0° | 109.5° |
| C26 | C25 | N7 | 115.1° | 109.4° |
| C26 | C25 | H25 | 107.9° | 109.4° |
| C25 | C26 | O12 | 110.7° | 120.0° |
| C25 | C26 | O13 | 120.1° | 120.0° |
| C27 | C25 | N7 | 113.2° | 109.5° |
| C27 | C25 | H25 | 107.1° | 109.5° |
| C25 | C27 | C31 | 113.2° | 109.5° |
| C25 | C27 | O14 | 108.8° | 109.5° |
| C25 | C27 | H27 | 106.1° | 109.4° |
| N7 | C25 | H25 | 108.3° | 109.5° |
| C25 | N7 | H7N1 | 118.0° | 120.0° |
| O12 | C26 | O13 | 110.0° | 120.0° |
| C26 | O12 | H12 | 109.5° | 120.0° |
| C31 | C27 | O14 | 112.8° | 109.5° |
| C31 | C27 | H27 | 107.3° | 109.5° |
| C27 | C31 | C28 | 114.3° | 111.1° |
| C27 | C31 | S | 116.1° | 111.1° |
| C27 | C31 | H31 | 112.1° | 110.9° |
| O14 | C27 | H27 | 108.4° | 109.5° |
| C27 | O14 | H14 | 109.5° | 106.8° |
| C29 | C28 | C31 | 109.5° | 113.9° |
| C29 | C28 | O18 | 106.5° | 108.4° |
| C29 | C28 | H28 | 110.5° | 108.6° |
| C28 | C29 | C30 | 109.1° | 113.9° |
| C28 | C29 | O17 | 106.7° | 108.6° |
| C28 | C29 | H29 | 110.8° | 108.6° |
| C31 | C28 | O18 | 105.0° | 108.6° |
| C31 | C28 | H28 | 111.1° | 108.6° |
| C28 | C31 | S | 92.4° | 101.2° |
| C28 | C31 | H31 | 111.5° | 111.1° |
| O18 | C28 | H28 | 113.9° | 108.6° |
| C28 | O18 | H18 | 109.5° | 106.8° |
| C30 | C29 | O17 | 104.5° | 108.4° |
| C30 | C29 | H29 | 110.9° | 108.6° |
| C29 | C30 | S | 87.7° | 101.3° |
| C29 | C30 | N9 | 124.2° | 111.0° |
| C29 | C30 | H30 | 112.5° | 111.1° |
| O17 | C29 | H29 | 114.4° | 108.6° |
| C29 | O17 | H17 | 109.5° | 106.8° |
| S | C30 | N9 | 104.6° | 111.1° |
| S | C30 | H30 | 110.1° | 111.1° |
| C30 | S | C31 | 115.5° | 97.4° |
| N9 | C30 | H30 | 113.3° | 111.0° |
| C30 | N9 | C32 | 124.3° | 119.5° |
| C30 | N9 | C33 | 120.3° | 119.5° |
| S | C31 | H31 | 108.9° | 111.0° |
| N8 | C32 | N9 | 124.5° | 120.9° |
| N8 | C32 | O15 | 116.6° | 119.6° |
| C32 | N8 | C34 | 124.9° | 119.9° |
| C32 | N8 | C36 | 99.7° | 120.0° |
| N9 | C32 | O15 | 116.8° | 119.6° |
| C32 | N9 | C33 | 114.3° | 121.0° |
| C35 | C33 | N9 | 122.2° | 120.0° |
| C35 | C33 | H33 | 118.9° | 120.0° |
| C33 | C35 | C34 | 127.6° | 119.1° |
| C33 | C35 | H35 | 116.2° | 120.4° |
| N9 | C33 | H33 | 118.9° | 120.0° |
| C35 | C34 | N8 | 104.7° | 119.1° |
| C35 | C34 | N11 | 132.8° | 120.5° |
| C34 | C35 | H35 | 116.2° | 120.5° |
| N8 | C34 | N11 | 121.3° | 120.4° |
| C34 | N8 | C36 | 134.9° | 120.1° |
| C34 | N11 | C37 | 102.2° | 120.0° |
| N8 | C36 | H363 | 109.5° | 109.5° |
| N8 | C36 | H362 | 109.5° | 109.5° |
| N8 | C36 | H361 | 109.5° | 109.5° |
| H363 | C36 | H362 | 109.5° | 109.5° |
| H363 | C36 | H361 | 109.5° | 109.4° |
| H362 | C36 | H361 | 109.4° | 109.4° |
| N10 | C37 | N11 | 122.7° | 120.0° |
| N10 | C37 | O16 | 124.2° | 120.0° |
| C37 | N10 | H1N3 | 120.0° | 120.0° |
| C37 | N10 | H1N2 | 120.0° | 120.0° |
| N11 | C37 | O16 | 112.0° | 120.0° |
| O1 | FE | O3 | 90.2° | 178.0° |
| O1 | FE | O5 | 88.3° | 87.4° |
| O1 | FE | O6 | 74.4° | 83.3° |
| O1 | FE | O7 | 138.4° | 97.1° |
| O1 | FE | O8 | 129.4° | 90.5° |
| O3 | FE | O5 | 85.5° | 92.0° |
| O3 | FE | O6 | 134.0° | 94.9° |
| O3 | FE | O7 | 78.0° | 83.9° |
| O3 | FE | O8 | 136.2° | 91.3° |
| O5 | FE | O6 | 135.4° | 98.0° |
| O5 | FE | O7 | 129.4° | 168.5° |
| O5 | FE | O8 | 78.8° | 84.2° |
| O6 | FE | O7 | 85.5° | 93.0° |
| O6 | FE | O8 | 81.3° | 173.3° |
| FE | O6 | N3 | 116.4° | 107.4° |
| O7 | FE | O8 | 81.1° | 85.1° |
| FE | O7 | N4 | 114.1° | 107.4° |
| FE | O8 | N5 | 113.5° | 108.2° |
| H1N3 | N10 | H1N2 | 120.0° | 119.9° |
| H1N4 | N12 | H1N5 | 109.5° | 106.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C1 | N3 | O1 | 173.7° | 174.7° |
| C19 | C1 | N3 | C15 | 0.3° | 31.4° |
| C1 | C19 | H193 | H192 | 120.0° | 120.1° |
| C1 | C19 | H193 | H191 | 120.0° | 120.0° |
| C1 | C19 | H192 | H191 | 120.0° | 120.0° |
| C19 | C1 | O1 | FE | 174.6° | 168.0° |
| C19 | C1 | N3 | O6 | 172.9° | 149.4° |
| C1 | N3 | C15 | C12 | 175.4° | 81.0° |
| C1 | N3 | C15 | O6 | 172.5° | 179.1° |
| C1 | N3 | C15 | H152 | 54.8° | 40.5° |
| C1 | N3 | C15 | H151 | 64.0° | 160.7° |
| N3 | C1 | C19 | H193 | 173.4° | 155.4° |
| N3 | C1 | C19 | H192 | 53.4° | 35.4° |
| N3 | C1 | C19 | H191 | 66.6° | 84.6° |
| N3 | C1 | O1 | FE | 11.7° | 6.8° |
| C1 | N3 | O6 | FE | 13.5° | 30.8° |
| O1 | C1 | N3 | C15 | 173.4° | 153.9° |
| O1 | C1 | C19 | H193 | 0.0° | 29.9° |
| O1 | C1 | C19 | H192 | 120.0° | 150.0° |
| O1 | C1 | C19 | H191 | 120.0° | 90.0° |
| C1 | O1 | FE | O3 | 121.9° | 36.5° |
| C1 | O1 | FE | O5 | 152.6° | 107.7° |
| C1 | O1 | FE | O6 | 14.2° | 9.3° |
| C1 | O1 | FE | O7 | 50.0° | 82.9° |
| C1 | O1 | FE | O8 | 78.6° | 168.1° |
| O1 | C1 | N3 | O6 | 0.8° | 25.3° |
| C7 | C2 | N1 | O2 | 135.2° | 179.5° |
| C2 | C7 | N2 | C4 | 148.3° | 119.1° |
| C7 | C2 | N1 | C6 | 134.6° | 160.1° |
| C2 | C7 | C10 | N2 | 124.9° | 129.8° |
| C2 | C7 | C10 | H7 | 114.7° | 113.7° |
| C2 | C7 | N2 | H7 | 121.6° | 116.4° |
| C2 | C7 | C10 | C13 | 169.8° | 68.9° |
| C2 | C7 | C10 | H102 | 48.8° | 172.1° |
| C2 | C7 | C10 | H101 | 69.2° | 52.1° |
| C7 | C2 | N1 | H1 | 45.4° | 20.2° |
| C2 | C7 | N2 | H2 | 31.7° | 61.8° |
| C2 | N1 | C6 | C9 | 155.7° | 83.1° |
| C2 | N1 | C6 | C21 | 66.8° | 43.8° |
| C2 | N1 | C6 | H1 | 180.0° | 179.7° |
| C2 | N1 | C6 | H6 | 47.7° | 159.8° |
| N1 | C2 | C7 | C10 | 102.0° | 155.8° |
| N1 | C2 | C7 | N2 | 134.9° | 26.1° |
| N1 | C2 | C7 | H7 | 12.8° | 90.9° |
| O2 | C2 | N1 | C6 | 0.6° | 20.4° |
| O2 | C2 | C7 | C10 | 122.2° | 23.7° |
| O2 | C2 | C7 | N2 | 0.9° | 153.4° |
| O2 | C2 | C7 | H7 | 123.0° | 89.6° |
| O2 | C2 | N1 | H1 | 179.4° | 159.2° |
| C18 | C3 | N4 | O3 | 173.4° | 179.5° |
| C18 | C3 | N4 | C16 | 0.2° | 19.4° |
| C3 | C18 | H183 | H182 | 120.0° | 120.0° |
| C3 | C18 | H183 | H181 | 120.0° | 120.1° |
| C3 | C18 | H182 | H181 | 120.0° | 120.1° |
| C18 | C3 | O3 | FE | 175.6° | 177.5° |
| C18 | C3 | N4 | O7 | 172.8° | 160.3° |
| C3 | N4 | C16 | C13 | 150.3° | 178.7° |
| C3 | N4 | C16 | O7 | 172.4° | 179.6° |
| C3 | N4 | C16 | H162 | 89.3° | 60.0° |
| C3 | N4 | C16 | H161 | 29.9° | 56.6° |
| N4 | C3 | C18 | H183 | 173.2° | 120.0° |
| N4 | C3 | C18 | H182 | 53.1° | 120.1° |
| N4 | C3 | C18 | H181 | 66.9° | 0.0° |
| N4 | C3 | O3 | FE | 11.3° | 2.0° |
| C3 | N4 | O7 | FE | 12.8° | 26.7° |
| O3 | C3 | N4 | C16 | 173.2° | 161.1° |
| O3 | C3 | C18 | H183 | 0.0° | 60.5° |
| O3 | C3 | C18 | H182 | 120.0° | 59.5° |
| O3 | C3 | C18 | H181 | 120.0° | 179.5° |
| C3 | O3 | FE | O1 | 153.6° | 130.7° |
| C3 | O3 | FE | O5 | 118.2° | 158.2° |
| C3 | O3 | FE | O6 | 85.3° | 103.6° |
| C3 | O3 | FE | O7 | 13.8° | 11.1° |
| C3 | O3 | FE | O8 | 49.5° | 73.9° |
| O3 | C3 | N4 | O7 | 0.7° | 19.3° |
| C8 | C4 | N2 | O4 | 131.3° | 180.0° |
| C8 | C4 | N2 | C7 | 49.5° | 74.2° |
| C4 | C8 | C11 | N12 | 179.3° | 120.8° |
| C4 | C8 | C11 | H8 | 90.3° | 120.1° |
| C4 | C8 | N12 | H8 | 90.3° | 118.0° |
| C4 | C8 | C11 | C14 | 160.9° | 177.1° |
| C4 | C8 | C11 | H112 | 40.3° | 57.3° |
| C4 | C8 | C11 | H111 | 78.5° | 61.6° |
| C8 | C4 | N2 | H2 | 130.5° | 106.7° |
| C4 | C8 | N12 | H1N4 | 180.0° | 57.9° |
| C4 | C8 | N12 | H1N5 | 60.0° | 171.7° |
| C4 | N2 | C7 | C10 | 93.3° | 8.9° |
| C4 | N2 | C7 | H2 | 180.0° | 179.1° |
| C4 | N2 | C7 | H7 | 26.6° | 124.5° |
| N2 | C4 | C8 | C11 | 42.0° | 105.2° |
| N2 | C4 | C8 | N12 | 138.6° | 16.9° |
| N2 | C4 | C8 | H8 | 48.3° | 134.5° |
| O4 | C4 | N2 | C7 | 179.2° | 105.8° |
| O4 | C4 | C8 | C11 | 179.8° | 74.9° |
| O4 | C4 | C8 | N12 | 0.9° | 163.1° |
| O4 | C4 | C8 | H8 | 89.5° | 45.5° |
| O4 | C4 | N2 | H2 | 0.8° | 73.2° |
| C20 | C5 | N5 | O5 | 173.6° | 179.3° |
| C20 | C5 | N5 | C17 | 0.2° | 16.7° |
| C5 | C20 | H203 | H202 | 120.0° | 120.0° |
| C5 | C20 | H203 | H201 | 120.0° | 120.0° |
| C5 | C20 | H202 | H201 | 120.0° | 120.0° |
| C20 | C5 | O5 | FE | 174.3° | 177.9° |
| C20 | C5 | N5 | O8 | 172.3° | 164.3° |
| C5 | N5 | C17 | C14 | 97.2° | 114.6° |
| C5 | N5 | C17 | O8 | 172.1° | 179.0° |
| C5 | N5 | C17 | H172 | 23.2° | 6.7° |
| C5 | N5 | C17 | H171 | 142.3° | 126.9° |
| N5 | C5 | C20 | H203 | 173.5° | 120.0° |
| N5 | C5 | C20 | H202 | 53.4° | 120.1° |
| N5 | C5 | C20 | H201 | 66.6° | 0.1° |
| N5 | C5 | O5 | FE | 12.1° | 1.4° |
| C5 | N5 | O8 | FE | 14.4° | 21.0° |
| O5 | C5 | N5 | C17 | 173.4° | 164.0° |
| O5 | C5 | C20 | H203 | 0.0° | 60.7° |
| O5 | C5 | C20 | H202 | 120.0° | 59.2° |
| O5 | C5 | C20 | H201 | 120.0° | 179.3° |
| C5 | O5 | FE | O1 | 115.7° | 82.0° |
| C5 | O5 | FE | O3 | 154.0° | 99.9° |
| C5 | O5 | FE | O6 | 50.1° | 164.9° |
| C5 | O5 | FE | O7 | 83.6° | 31.4° |
| C5 | O5 | FE | O8 | 15.1° | 8.8° |
| O5 | C5 | N5 | O8 | 1.3° | 15.0° |
| C9 | C6 | C21 | N1 | 134.7° | 128.0° |
| C9 | C6 | C21 | H6 | 110.3° | 115.7° |
| C9 | C6 | N1 | H6 | 108.1° | 117.1° |
| C6 | C9 | C12 | H92 | 120.7° | 121.5° |
| C6 | C9 | C12 | H91 | 120.6° | 121.0° |
| C6 | C9 | H92 | H91 | 117.9° | 117.8° |
| C6 | C9 | C12 | C15 | 143.5° | 159.6° |
| C6 | C9 | C12 | H122 | 96.0° | 81.3° |
| C6 | C9 | C12 | H121 | 23.0° | 38.9° |
| C9 | C6 | C21 | N6 | 99.1° | 75.7° |
| C9 | C6 | C21 | O9 | 135.0° | 104.3° |
| C9 | C6 | N1 | H1 | 24.3° | 96.6° |
| C21 | C6 | N1 | H6 | 114.4° | 116.0° |
| C21 | C6 | C9 | C12 | 178.5° | 42.8° |
| C21 | C6 | C9 | H92 | 60.8° | 165.1° |
| C21 | C6 | C9 | H91 | 57.9° | 78.0° |
| C6 | C21 | N6 | O9 | 121.4° | 179.9° |
| C6 | C21 | N6 | C22 | 120.4° | 180.0° |
| C21 | C6 | N1 | H1 | 113.3° | 136.5° |
| C6 | C21 | N6 | H6N | 59.6° | 0.1° |
| N1 | C6 | C9 | C12 | 39.3° | 84.6° |
| N1 | C6 | C9 | H92 | 81.3° | 37.8° |
| N1 | C6 | C9 | H91 | 160.0° | 154.6° |
| N1 | C6 | C21 | N6 | 126.1° | 156.3° |
| N1 | C6 | C21 | O9 | 0.3° | 23.7° |
| H6 | C6 | C9 | C12 | 68.9° | 158.3° |
| H6 | C6 | C9 | H92 | 170.4° | 79.4° |
| H6 | C6 | C9 | H91 | 51.7° | 37.5° |
| H6 | C6 | C21 | N6 | 11.1° | 40.1° |
| H6 | C6 | C21 | O9 | 114.7° | 140.0° |
| H6 | C6 | N1 | H1 | 132.3° | 20.5° |
| C10 | C7 | N2 | H7 | 119.9° | 115.6° |
| C7 | C10 | C13 | H102 | 121.0° | 118.9° |
| C7 | C10 | C13 | H101 | 121.1° | 120.8° |
| C7 | C10 | H102 | H101 | 116.8° | 120.3° |
| C7 | C10 | C13 | C16 | 129.5° | 149.1° |
| C7 | C10 | C13 | H132 | 110.2° | 26.1° |
| C7 | C10 | C13 | H131 | 9.1° | 90.4° |
| C10 | C7 | N2 | H2 | 86.7° | 170.2° |
| N2 | C7 | C10 | C13 | 65.3° | 161.3° |
| N2 | C7 | C10 | H102 | 173.7° | 42.3° |
| N2 | C7 | C10 | H101 | 55.7° | 77.7° |
| H7 | C7 | C10 | C13 | 55.1° | 44.8° |
| H7 | C7 | C10 | H102 | 65.9° | 74.2° |
| H7 | C7 | C10 | H101 | 176.1° | 165.9° |
| H7 | C7 | N2 | H2 | 153.3° | 54.6° |
| C11 | C8 | N12 | H8 | 90.3° | 119.8° |
| C8 | C11 | C14 | H112 | 120.6° | 120.1° |
| C8 | C11 | C14 | H111 | 120.6° | 121.6° |
| C8 | C11 | H112 | H111 | 118.1° | 120.1° |
| C8 | C11 | C14 | C17 | 147.3° | 161.6° |
| C8 | C11 | C14 | H142 | 92.4° | 41.4° |
| C8 | C11 | C14 | H141 | 27.1° | 78.5° |
| C11 | C8 | N12 | H1N4 | 0.6° | 180.0° |
| C11 | C8 | N12 | H1N5 | 119.4° | 66.2° |
| N12 | C8 | C11 | C14 | 19.8° | 62.1° |
| N12 | C8 | C11 | H112 | 140.4° | 178.2° |
| N12 | C8 | C11 | H111 | 100.8° | 59.3° |
| C8 | N12 | H1N4 | H1N5 | 120.0° | 113.8° |
| H8 | C8 | C11 | C14 | 70.6° | 57.0° |
| H8 | C8 | C11 | H112 | 50.0° | 62.7° |
| H8 | C8 | C11 | H111 | 168.8° | 178.4° |
| H8 | C8 | N12 | H1N4 | 89.7° | 60.2° |
| H8 | C8 | N12 | H1N5 | 150.3° | 53.7° |
| C12 | C9 | H92 | H91 | 117.9° | 118.1° |
| C9 | C12 | C15 | H122 | 120.5° | 120.2° |
| C9 | C12 | C15 | H121 | 120.5° | 122.4° |
| C9 | C12 | H122 | H121 | 118.4° | 121.9° |
| C9 | C12 | C15 | N3 | 73.5° | 93.6° |
| C9 | C12 | C15 | H152 | 47.1° | 29.2° |
| C9 | C12 | C15 | H151 | 165.9° | 147.4° |
| H92 | C9 | C12 | C15 | 22.8° | 38.1° |
| H92 | C9 | C12 | H122 | 143.4° | 157.2° |
| H92 | C9 | C12 | H121 | 97.7° | 82.7° |
| H91 | C9 | C12 | C15 | 95.9° | 79.4° |
| H91 | C9 | C12 | H122 | 24.7° | 39.7° |
| H91 | C9 | C12 | H121 | 143.6° | 159.9° |
| C13 | C10 | H102 | H101 | 116.8° | 120.9° |
| C10 | C13 | C16 | H132 | 120.4° | 123.1° |
| C10 | C13 | C16 | H131 | 120.4° | 120.2° |
| C10 | C13 | H132 | H131 | 118.9° | 116.9° |
| C10 | C13 | C16 | N4 | 68.9° | 49.5° |
| C10 | C13 | C16 | H162 | 51.5° | 170.9° |
| C10 | C13 | C16 | H161 | 170.7° | 72.5° |
| H102 | C10 | C13 | C16 | 8.5° | 92.0° |
| H102 | C10 | C13 | H132 | 128.8° | 145.0° |
| H102 | C10 | C13 | H131 | 111.9° | 28.6° |
| H101 | C10 | C13 | C16 | 109.5° | 28.3° |
| H101 | C10 | C13 | H132 | 10.9° | 94.7° |
| H101 | C10 | C13 | H131 | 130.2° | 148.8° |
| C14 | C11 | H112 | H111 | 118.2° | 119.3° |
| C11 | C14 | C17 | H142 | 120.2° | 120.8° |
| C11 | C14 | C17 | H141 | 120.2° | 120.1° |
| C11 | C14 | H142 | H141 | 119.3° | 120.0° |
| C11 | C14 | C17 | N5 | 46.7° | 76.8° |
| C11 | C14 | C17 | H172 | 167.1° | 160.2° |
| C11 | C14 | C17 | H171 | 73.8° | 41.9° |
| H112 | C11 | C14 | C17 | 26.7° | 78.3° |
| H112 | C11 | C14 | H142 | 147.0° | 161.5° |
| H112 | C11 | C14 | H141 | 93.5° | 41.6° |
| H111 | C11 | C14 | C17 | 92.0° | 40.0° |
| H111 | C11 | C14 | H142 | 28.2° | 80.2° |
| H111 | C11 | C14 | H141 | 147.7° | 159.9° |
| C15 | C12 | H122 | H121 | 118.4° | 117.4° |
| C12 | C15 | N3 | H152 | 120.6° | 121.5° |
| C12 | C15 | N3 | H151 | 120.6° | 118.3° |
| C12 | C15 | H152 | H151 | 118.1° | 118.0° |
| C12 | C15 | N3 | O6 | 2.9° | 98.1° |
| H122 | C12 | C15 | N3 | 165.9° | 146.3° |
| H122 | C12 | C15 | H152 | 73.4° | 90.9° |
| H122 | C12 | C15 | H151 | 45.3° | 27.3° |
| H121 | C12 | C15 | N3 | 47.0° | 28.8° |
| H121 | C12 | C15 | H152 | 167.6° | 151.6° |
| H121 | C12 | C15 | H151 | 73.6° | 90.2° |
| C16 | C13 | H132 | H131 | 118.9° | 117.4° |
| C13 | C16 | N4 | H162 | 120.4° | 121.3° |
| C13 | C16 | N4 | H161 | 120.4° | 122.1° |
| C13 | C16 | H162 | H161 | 118.7° | 117.3° |
| C13 | C16 | N4 | O7 | 37.3° | 1.7° |
| H132 | C13 | C16 | N4 | 170.7° | 73.6° |
| H132 | C13 | C16 | H162 | 68.9° | 47.8° |
| H132 | C13 | C16 | H161 | 50.3° | 164.4° |
| H131 | C13 | C16 | N4 | 51.4° | 169.7° |
| H131 | C13 | C16 | H162 | 171.9° | 68.9° |
| H131 | C13 | C16 | H161 | 69.0° | 47.7° |
| C17 | C14 | H142 | H141 | 119.4° | 119.0° |
| C14 | C17 | N5 | H172 | 120.4° | 121.3° |
| C14 | C17 | N5 | H171 | 120.5° | 118.5° |
| C14 | C17 | H172 | H171 | 118.6° | 118.2° |
| C14 | C17 | N5 | O8 | 74.9° | 64.3° |
| H142 | C14 | C17 | N5 | 73.6° | 44.0° |
| H142 | C14 | C17 | H172 | 46.9° | 79.0° |
| H142 | C14 | C17 | H171 | 166.0° | 162.7° |
| H141 | C14 | C17 | N5 | 166.9° | 163.1° |
| H141 | C14 | C17 | H172 | 72.7° | 40.1° |
| H141 | C14 | C17 | H171 | 46.4° | 78.2° |
| N3 | C15 | H152 | H151 | 118.1° | 120.6° |
| C15 | N3 | O6 | FE | 172.6° | 148.4° |
| H152 | C15 | N3 | O6 | 117.7° | 140.4° |
| H151 | C15 | N3 | O6 | 123.5° | 20.2° |
| N4 | C16 | H162 | H161 | 118.7° | 117.2° |
| C16 | N4 | O7 | FE | 173.5° | 153.6° |
| H162 | C16 | N4 | O7 | 83.1° | 119.6° |
| H161 | C16 | N4 | O7 | 157.7° | 123.7° |
| N5 | C17 | H172 | H171 | 118.5° | 120.2° |
| C17 | N5 | O8 | FE | 172.0° | 158.0° |
| H172 | C17 | N5 | O8 | 164.6° | 174.3° |
| H171 | C17 | N5 | O8 | 45.6° | 54.2° |
| H183 | C18 | H182 | H181 | 120.0° | 120.0° |
| H193 | C19 | H192 | H191 | 120.0° | 119.9° |
| H203 | C20 | H202 | H201 | 120.0° | 120.0° |
| C21 | N6 | C22 | C23 | 51.8° | 85.0° |
| C21 | N6 | C22 | C24 | 168.6° | 155.1° |
| C21 | N6 | C22 | H6N | 180.0° | 179.9° |
| C21 | N6 | C22 | H22 | 75.6° | 35.0° |
| O9 | C21 | N6 | C22 | 1.0° | 0.0° |
| O9 | C21 | N6 | H6N | 179.0° | 180.0° |
| C23 | C22 | C24 | N6 | 115.8° | 120.0° |
| C23 | C22 | C24 | H22 | 125.5° | 119.9° |
| C23 | C22 | N6 | H22 | 127.4° | 120.0° |
| C22 | C23 | O10 | H232 | 121.0° | 120.0° |
| C22 | C23 | O10 | H231 | 121.0° | 120.1° |
| C22 | C23 | H232 | H231 | 116.9° | 120.0° |
| C23 | C22 | C24 | N7 | 3.4° | 60.0° |
| C23 | C22 | C24 | O11 | 120.9° | 120.1° |
| C23 | C22 | N6 | H6N | 128.2° | 95.0° |
| C22 | C23 | O10 | H10 | 60.6° | 180.0° |
| C24 | C22 | N6 | H22 | 115.8° | 120.1° |
| C24 | C22 | C23 | O10 | 149.2° | 55.0° |
| C24 | C22 | C23 | H232 | 89.8° | 175.0° |
| C24 | C22 | C23 | H231 | 28.2° | 65.0° |
| C22 | C24 | N7 | O11 | 133.9° | 179.9° |
| C22 | C24 | N7 | C25 | 133.8° | 180.0° |
| C24 | C22 | N6 | H6N | 11.4° | 25.0° |
| C22 | C24 | N7 | H7N1 | 46.2° | 0.0° |
| N6 | C22 | C23 | O10 | 102.3° | 65.0° |
| N6 | C22 | C23 | H232 | 18.7° | 55.0° |
| N6 | C22 | C23 | H231 | 136.7° | 175.0° |
| N6 | C22 | C24 | N7 | 119.2° | 180.0° |
| N6 | C22 | C24 | O11 | 5.1° | 0.0° |
| H22 | C22 | C23 | O10 | 25.4° | 175.0° |
| H22 | C22 | C23 | H232 | 146.4° | 65.0° |
| H22 | C22 | C23 | H231 | 95.5° | 55.0° |
| H22 | C22 | C24 | N7 | 122.1° | 59.9° |
| H22 | C22 | C24 | O11 | 113.6° | 120.0° |
| H22 | C22 | N6 | H6N | 104.4° | 145.1° |
| O10 | C23 | H232 | H231 | 116.9° | 120.0° |
| H232 | C23 | O10 | H10 | 60.4° | 60.0° |
| H231 | C23 | O10 | H10 | 178.4° | 59.9° |
| C24 | N7 | C25 | C26 | 64.3° | 85.0° |
| C24 | N7 | C25 | C27 | 174.9° | 155.0° |
| C24 | N7 | C25 | H7N1 | 180.0° | 180.0° |
| C24 | N7 | C25 | H25 | 56.4° | 34.9° |
| O11 | C24 | N7 | C25 | 0.0° | 0.1° |
| O11 | C24 | N7 | H7N1 | 180.0° | 179.9° |
| C26 | C25 | C27 | N7 | 126.3° | 120.0° |
| C26 | C25 | C27 | H25 | 114.5° | 120.0° |
| C26 | C25 | N7 | H25 | 120.7° | 119.9° |
| C25 | C26 | O12 | O13 | 135.1° | 180.0° |
| C26 | C25 | C27 | C31 | 130.4° | 180.0° |
| C26 | C25 | C27 | O14 | 103.4° | 60.0° |
| C26 | C25 | C27 | H27 | 13.0° | 60.0° |
| C26 | C25 | N7 | H7N1 | 115.7° | 95.0° |
| C25 | C26 | O12 | H12 | 135.1° | 179.9° |
| C27 | C25 | N7 | H25 | 118.5° | 120.1° |
| C27 | C25 | C26 | O12 | 131.5° | 60.0° |
| C27 | C25 | C26 | O13 | 1.6° | 120.0° |
| C25 | C27 | C31 | O14 | 124.1° | 120.0° |
| C25 | C27 | C31 | H27 | 116.7° | 120.0° |
| C25 | C27 | O14 | H27 | 114.9° | 120.0° |
| C25 | C27 | C31 | C28 | 35.4° | 178.3° |
| C25 | C27 | C31 | S | 141.2° | 66.4° |
| C25 | C27 | C31 | H31 | 92.8° | 57.6° |
| C27 | C25 | N7 | H7N1 | 5.1° | 25.0° |
| C25 | C27 | O14 | H14 | 180.0° | 60.0° |
| N7 | C25 | C26 | O12 | 103.4° | 180.0° |
| N7 | C25 | C26 | O13 | 126.7° | 0.0° |
| N7 | C25 | C27 | C31 | 103.3° | 60.0° |
| N7 | C25 | C27 | O14 | 22.9° | 60.0° |
| N7 | C25 | C27 | H27 | 139.3° | 180.0° |
| H25 | C25 | C26 | O12 | 17.6° | 60.0° |
| H25 | C25 | C26 | O13 | 112.3° | 120.0° |
| H25 | C25 | C27 | C31 | 15.9° | 60.0° |
| H25 | C25 | C27 | O14 | 142.1° | 179.9° |
| H25 | C25 | C27 | H27 | 101.5° | 60.0° |
| H25 | C25 | N7 | H7N1 | 123.6° | 145.1° |
| O13 | C26 | O12 | H12 | 0.0° | 0.0° |
| C31 | C27 | O14 | H27 | 118.6° | 120.0° |
| C27 | C31 | C28 | C29 | 150.5° | 140.3° |
| C27 | C31 | C28 | S | 120.1° | 118.0° |
| C27 | C31 | C28 | H31 | 128.5° | 124.0° |
| C27 | C31 | C28 | O18 | 95.5° | 98.8° |
| C27 | C31 | C28 | H28 | 28.1° | 19.1° |
| C27 | C31 | S | C30 | 120.6° | 149.7° |
| C27 | C31 | S | H31 | 127.6° | 124.0° |
| C31 | C27 | O14 | H14 | 53.5° | 60.0° |
| O14 | C27 | C31 | C28 | 88.7° | 61.7° |
| O14 | C27 | C31 | S | 17.2° | 173.5° |
| O14 | C27 | C31 | H31 | 143.2° | 62.5° |
| H27 | C27 | C31 | C28 | 152.1° | 58.3° |
| H27 | C27 | C31 | S | 102.1° | 53.5° |
| H27 | C27 | C31 | H31 | 23.9° | 177.6° |
| H27 | C27 | O14 | H14 | 65.1° | 180.0° |
| C29 | C28 | C31 | O18 | 114.0° | 120.9° |
| C29 | C28 | C31 | H28 | 122.3° | 121.2° |
| C29 | C28 | O18 | H28 | 122.0° | 117.9° |
| C28 | C29 | C30 | O17 | 113.9° | 121.0° |
| C28 | C29 | C30 | H29 | 122.4° | 121.2° |
| C28 | C29 | O17 | H29 | 122.9° | 117.9° |
| C28 | C29 | C30 | S | 44.1° | 22.2° |
| C28 | C29 | C30 | N9 | 62.1° | 140.2° |
| C28 | C29 | C30 | H30 | 154.9° | 95.8° |
| C29 | C28 | C31 | S | 30.4° | 22.3° |
| C29 | C28 | C31 | H31 | 81.0° | 95.6° |
| C28 | C29 | O17 | H17 | 16.6° | 61.5° |
| C29 | C28 | O18 | H18 | 180.0° | 55.8° |
| C31 | C28 | O18 | H28 | 121.8° | 117.9° |
| C31 | C28 | C29 | C30 | 57.2° | 0.1° |
| C31 | C28 | C29 | O17 | 169.7° | 121.0° |
| C31 | C28 | C29 | H29 | 65.2° | 121.1° |
| C28 | C31 | S | C30 | 2.0° | 31.6° |
| C28 | C31 | S | H31 | 113.7° | 118.0° |
| C31 | C28 | O18 | H18 | 63.8° | 180.0° |
| O18 | C28 | C29 | C30 | 170.3° | 121.1° |
| O18 | C28 | C29 | O17 | 77.2° | 118.0° |
| O18 | C28 | C29 | H29 | 47.9° | 0.1° |
| O18 | C28 | C31 | S | 144.4° | 143.2° |
| O18 | C28 | C31 | H31 | 33.0° | 25.3° |
| H28 | C28 | C29 | C30 | 65.5° | 121.1° |
| H28 | C28 | C29 | O17 | 47.0° | 0.2° |
| H28 | C28 | C29 | H29 | 172.1° | 117.7° |
| H28 | C28 | C31 | S | 92.0° | 98.9° |
| H28 | C28 | C31 | H31 | 156.6° | 143.1° |
| H28 | C28 | O18 | H18 | 58.0° | 62.1° |
| C30 | C29 | O17 | H29 | 121.5° | 117.9° |
| C29 | C30 | S | N9 | 124.8° | 118.0° |
| C29 | C30 | S | H30 | 113.2° | 118.0° |
| C29 | C30 | N9 | H30 | 142.8° | 124.1° |
| C29 | C30 | S | C31 | 25.6° | 31.6° |
| C29 | C30 | N9 | C32 | 76.9° | 128.4° |
| C29 | C30 | N9 | C33 | 90.4° | 51.7° |
| C30 | C29 | O17 | H17 | 98.9° | 174.4° |
| O17 | C29 | C30 | S | 158.0° | 98.8° |
| O17 | C29 | C30 | N9 | 51.8° | 19.2° |
| O17 | C29 | C30 | H30 | 91.2° | 143.2° |
| H29 | C29 | C30 | S | 78.3° | 143.4° |
| H29 | C29 | C30 | N9 | 175.5° | 98.6° |
| H29 | C29 | C30 | H30 | 32.5° | 25.4° |
| H29 | C29 | O17 | H17 | 139.5° | 56.5° |
| S | C30 | N9 | H30 | 119.9° | 124.0° |
| C30 | S | C31 | H31 | 111.7° | 86.4° |
| S | C30 | N9 | C32 | 174.2° | 119.7° |
| S | C30 | N9 | C33 | 7.0° | 60.2° |
| N9 | C30 | S | C31 | 99.2° | 149.6° |
| C30 | N9 | C32 | N8 | 177.0° | 180.0° |
| C30 | N9 | C32 | C33 | 167.9° | 179.9° |
| C30 | N9 | C32 | O15 | 14.2° | 0.1° |
| C30 | N9 | C33 | C35 | 178.5° | 180.0° |
| C30 | N9 | C33 | H33 | 1.5° | 0.0° |
| H30 | C30 | S | C31 | 138.8° | 86.4° |
| H30 | C30 | N9 | C32 | 65.9° | 4.3° |
| H30 | C30 | N9 | C33 | 126.9° | 175.7° |
| N8 | C32 | N9 | O15 | 162.9° | 180.0° |
| N8 | C32 | N9 | C33 | 15.1° | 0.0° |
| C32 | N8 | C34 | C35 | 2.8° | 0.5° |
| C32 | N8 | C34 | C36 | 170.4° | 179.7° |
| C32 | N8 | C34 | N11 | 171.9° | 180.0° |
| C32 | N8 | C36 | H363 | 180.0° | 29.9° |
| C32 | N8 | C36 | H362 | 60.0° | 150.0° |
| C32 | N8 | C36 | H361 | 60.0° | 90.0° |
| C32 | N9 | C33 | C35 | 13.1° | 0.0° |
| C32 | N9 | C33 | H33 | 166.9° | 179.9° |
| N9 | C32 | N8 | C34 | 7.1° | 0.3° |
| N9 | C32 | N8 | C36 | 166.1° | 180.0° |
| O15 | C32 | N9 | C33 | 177.9° | 180.0° |
| O15 | C32 | N8 | C34 | 169.9° | 179.7° |
| O15 | C32 | N8 | C36 | 3.2° | 0.0° |
| C35 | C33 | N9 | H33 | 180.0° | 180.0° |
| C33 | C35 | C34 | H35 | 180.0° | 179.7° |
| C33 | C35 | C34 | N8 | 4.6° | 0.5° |
| C33 | C35 | C34 | N11 | 171.8° | 180.0° |
| N9 | C33 | C35 | C34 | 3.6° | 0.3° |
| N9 | C33 | C35 | H35 | 176.4° | 180.0° |
| H33 | C33 | C35 | C34 | 176.4° | 179.8° |
| H33 | C33 | C35 | H35 | 3.6° | 0.0° |
| C35 | C34 | N8 | N11 | 169.0° | 179.5° |
| C35 | C34 | N8 | C36 | 173.2° | 179.8° |
| C35 | C34 | N11 | C37 | 136.1° | 5.5° |
| N8 | C34 | C35 | H35 | 175.4° | 179.7° |
| C34 | N8 | C36 | H363 | 8.0° | 149.8° |
| C34 | N8 | C36 | H362 | 128.0° | 29.7° |
| C34 | N8 | C36 | H361 | 112.0° | 90.3° |
| N8 | C34 | N11 | C37 | 58.5° | 175.0° |
| N11 | C34 | C35 | H35 | 8.2° | 0.2° |
| N11 | C34 | N8 | C36 | 17.7° | 0.3° |
| C34 | N11 | C37 | N10 | 108.7° | 75.2° |
| C34 | N11 | C37 | O16 | 59.3° | 104.7° |
| N8 | C36 | H363 | H362 | 120.0° | 120.1° |
| N8 | C36 | H363 | H361 | 120.0° | 120.0° |
| N8 | C36 | H362 | H361 | 120.0° | 120.0° |
| H363 | C36 | H362 | H361 | 119.9° | 119.9° |
| N10 | C37 | N11 | O16 | 168.0° | 179.9° |
| C37 | N10 | H1N3 | H1N2 | 180.0° | 180.0° |
| N11 | C37 | N10 | H1N3 | 166.5° | 180.0° |
| N11 | C37 | N10 | H1N2 | 13.5° | 0.0° |
| O16 | C37 | N10 | H1N3 | 0.0° | 0.1° |
| O16 | C37 | N10 | H1N2 | 180.0° | 180.0° |
| O1 | FE | O3 | O5 | 88.3° | 71.1° |
| O1 | FE | O3 | O6 | 68.3° | 27.1° |
| O1 | FE | O3 | O7 | 139.8° | 119.7° |
| O1 | FE | O3 | O8 | 157.0° | 155.4° |
| O1 | FE | O5 | O6 | 65.6° | 82.9° |
| O1 | FE | O5 | O7 | 160.7° | 113.4° |
| O1 | FE | O5 | O8 | 130.8° | 90.8° |
| O1 | FE | O6 | O7 | 143.2° | 96.8° |
| O1 | FE | O6 | O8 | 135.2° | 23.3° |
| O1 | FE | O7 | O8 | 142.3° | 89.9° |
| O1 | FE | O6 | N3 | 14.5° | 20.5° |
| O1 | FE | O7 | N4 | 90.5° | 162.4° |
| O1 | FE | O8 | N5 | 62.5° | 72.1° |
| O3 | FE | O5 | O6 | 155.9° | 95.2° |
| O3 | FE | O5 | O7 | 70.4° | 68.5° |
| O3 | FE | O5 | O8 | 138.9° | 91.1° |
| O3 | FE | O6 | O7 | 68.5° | 84.1° |
| O3 | FE | O6 | O8 | 150.2° | 157.6° |
| O3 | FE | O7 | O8 | 141.2° | 91.8° |
| O3 | FE | O6 | N3 | 60.1° | 160.4° |
| O3 | FE | O7 | N4 | 14.1° | 19.4° |
| O3 | FE | O8 | N5 | 87.1° | 107.1° |
| O5 | FE | O6 | O7 | 145.9° | 176.8° |
| O5 | FE | O6 | O8 | 64.3° | 109.7° |
| O5 | FE | O7 | O8 | 67.4° | 22.6° |
| O5 | FE | O6 | N3 | 85.5° | 107.0° |
| O5 | FE | O7 | N4 | 59.7° | 49.9° |
| O5 | FE | O8 | N5 | 15.9° | 15.3° |
| O6 | FE | O7 | O8 | 81.9° | 173.6° |
| O6 | FE | O7 | N4 | 151.0° | 114.0° |
| O6 | FE | O8 | N5 | 124.0° | 95.2° |
| O7 | FE | O6 | N3 | 128.6° | 76.3° |
| O7 | FE | O8 | N5 | 149.2° | 169.2° |
| O8 | FE | O6 | N3 | 149.7° | 2.8° |
| O8 | FE | O7 | N4 | 127.1° | 72.4° |
