THX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1' | C2' | sing | 1.54Å | 1.58Å | |
| C1' | N1 | sing | 1.46Å | 1.55Å | |
| C1' | O4' | sing | 1.44Å | 1.44Å | |
| C1' | H1' | sing | 1.09Å | 1.13Å | |
| C10 | C11 | sing | 1.53Å | 1.55Å | |
| C10 | C9 | sing | 1.53Å | 1.56Å | |
| C10 | H101 | sing | 1.09Å | 1.09Å | |
| C10 | H102 | sing | 1.09Å | 1.09Å | |
| C11 | C12 | sing | 1.53Å | 1.56Å | |
| C11 | H111 | sing | 1.09Å | 1.09Å | |
| C11 | H112 | sing | 1.09Å | 1.09Å | |
| C12 | N4 | sing | 1.47Å | 1.48Å | |
| C12 | H121 | sing | 1.09Å | 1.09Å | |
| C12 | H122 | sing | 1.09Å | 1.09Å | |
| C13 | C14 | sing | 1.47Å | 1.50Å | |
| C13 | N4 | sing | 1.35Å | 1.39Å | |
| C13 | O6 | doub | 1.22Å | 1.23Å | |
| C14 | C15 | doub | 1.36Å | 1.57Å | Aromatic |
| C14 | N5 | sing | 1.38Å | 1.46Å | Aromatic |
| C15 | C16 | sing | 1.42Å | 1.41Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.11Å | |
| C16 | C17 | sing | 1.41Å | 1.30Å | Aromatic |
| C16 | C21 | doub | 1.40Å | 1.31Å | Aromatic |
| C17 | C18 | doub | 1.39Å | 1.48Å | Aromatic |
| C17 | N5 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.37Å | 1.42Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | C20 | doub | 1.40Å | 1.52Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.09Å | |
| C2 | N1 | sing | 1.35Å | 1.42Å | |
| C2 | N3 | sing | 1.35Å | 1.36Å | |
| C2 | O2 | doub | 1.22Å | 1.22Å | |
| C2' | C3' | sing | 1.55Å | 1.51Å | |
| C2' | H2'1 | sing | 1.09Å | 1.10Å | |
| C2' | H2'2 | sing | 1.09Å | 1.11Å | |
| C20 | C21 | sing | 1.38Å | 1.34Å | Aromatic |
| C20 | N6 | sing | 1.40Å | 1.35Å | |
| C21 | C22 | sing | 1.51Å | 1.41Å | |
| C22 | C23 | sing | 1.54Å | 1.58Å | |
| C22 | H221 | sing | 1.09Å | 1.08Å | |
| C22 | H222 | sing | 1.09Å | 1.09Å | |
| C23 | N6 | sing | 1.47Å | 1.48Å | |
| C23 | H231 | sing | 1.09Å | 1.18Å | |
| C23 | H232 | sing | 1.09Å | 1.18Å | |
| C24 | C25 | sing | 1.47Å | 1.49Å | |
| C24 | N6 | sing | 1.35Å | 1.41Å | |
| C24 | O7 | doub | 1.22Å | 1.23Å | |
| C25 | C26 | doub | 1.36Å | 1.57Å | Aromatic |
| C25 | N7 | sing | 1.38Å | 1.45Å | Aromatic |
| C26 | C27 | sing | 1.42Å | 1.47Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.13Å | |
| C27 | C28 | sing | 1.41Å | 1.32Å | Aromatic |
| C27 | C32 | doub | 1.40Å | 1.36Å | Aromatic |
| C28 | C29 | doub | 1.39Å | 1.49Å | Aromatic |
| C28 | N7 | sing | 1.38Å | 1.38Å | Aromatic |
| C29 | C30 | sing | 1.37Å | 1.44Å | Aromatic |
| C29 | H29 | sing | 1.08Å | 1.11Å | |
| C3' | C4' | sing | 1.55Å | 1.51Å | |
| C3' | O3' | sing | 1.43Å | 1.44Å | |
| C3' | H3' | sing | 1.09Å | 1.09Å | |
| C30 | C31 | doub | 1.40Å | 1.52Å | Aromatic |
| C30 | H30 | sing | 1.08Å | 1.11Å | |
| C31 | C32 | sing | 1.38Å | 1.36Å | Aromatic |
| C31 | N8 | sing | 1.40Å | 1.35Å | |
| C32 | C33 | sing | 1.51Å | 1.44Å | |
| C33 | C34 | sing | 1.54Å | 1.56Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.08Å | |
| C34 | N8 | sing | 1.46Å | 1.50Å | |
| C34 | H341 | sing | 1.09Å | 1.06Å | |
| C34 | H342 | sing | 1.09Å | 1.11Å | |
| C35 | C36 | sing | 1.47Å | 1.51Å | |
| C35 | N8 | sing | 1.35Å | 1.45Å | |
| C35 | O8 | doub | 1.22Å | 1.24Å | |
| C36 | C37 | doub | 1.36Å | 1.55Å | Aromatic |
| C36 | N9 | sing | 1.38Å | 1.47Å | Aromatic |
| C37 | C38 | sing | 1.42Å | 1.44Å | Aromatic |
| C37 | H37 | sing | 1.08Å | 1.10Å | |
| C38 | C39 | sing | 1.41Å | 1.29Å | Aromatic |
| C38 | C43 | doub | 1.40Å | 1.33Å | Aromatic |
| C39 | C40 | doub | 1.39Å | 1.49Å | Aromatic |
| C39 | N9 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.42Å | 1.43Å | |
| C4 | N3 | sing | 1.35Å | 1.37Å | |
| C4 | O4 | doub | 1.22Å | 1.22Å | |
| C4' | C5' | sing | 1.53Å | 1.53Å | |
| C4' | O4' | sing | 1.45Å | 1.44Å | |
| C4' | H4' | sing | 1.09Å | 1.08Å | |
| C40 | C41 | sing | 1.37Å | 1.45Å | Aromatic |
| C40 | H40 | sing | 1.08Å | 1.10Å | |
| C41 | C42 | doub | 1.40Å | 1.52Å | Aromatic |
| C41 | H41 | sing | 1.08Å | 1.10Å | |
| C42 | C43 | sing | 1.38Å | 1.36Å | Aromatic |
| C42 | N10 | sing | 1.40Å | 1.35Å | |
| C43 | C44 | sing | 1.51Å | 1.41Å | |
| C44 | C45 | sing | 1.54Å | 1.53Å | |
| C44 | H441 | sing | 1.09Å | 1.12Å | |
| C44 | H442 | sing | 1.09Å | 1.10Å | |
| C45 | N10 | sing | 1.47Å | 1.48Å | |
| C45 | H451 | sing | 1.09Å | 1.09Å | |
| C45 | H452 | sing | 1.09Å | 1.09Å | |
| C46 | N10 | sing | 1.35Å | 1.42Å | |
| C46 | N15 | sing | 1.35Å | 1.38Å | |
| C46 | O9 | doub | 1.22Å | 1.23Å | |
| C5 | C5M | sing | 1.51Å | 1.50Å | |
| C5 | C6 | doub | 1.35Å | 1.34Å | |
| C5' | O5' | sing | 1.43Å | 1.46Å | |
| C5' | H5'1 | sing | 1.09Å | 1.09Å | |
| C5' | H5'2 | sing | 1.09Å | 1.09Å | |
| C5M | H5M1 | sing | 1.09Å | 1.09Å | |
| C5M | H5M2 | sing | 1.09Å | 1.09Å | |
| C5M | H5M3 | sing | 1.09Å | 1.09Å | |
| C6 | N1 | sing | 1.37Å | 1.44Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | C8 | sing | 1.53Å | 1.55Å | |
| C7 | O3P | sing | 1.43Å | 1.46Å | |
| C7 | H71 | sing | 1.09Å | 1.09Å | |
| C7 | H72 | sing | 1.09Å | 1.09Å | |
| C8 | C9 | sing | 1.53Å | 1.55Å | |
| C8 | H81 | sing | 1.09Å | 1.09Å | |
| C8 | H82 | sing | 1.09Å | 1.09Å | |
| C9 | H91 | sing | 1.09Å | 1.09Å | |
| C9 | H92 | sing | 1.09Å | 1.09Å | |
| N15 | H151 | sing | 0.97Å | 1.03Å | |
| N15 | H152 | sing | 0.97Å | 1.03Å | |
| N3 | H3 | sing | 0.97Å | 1.03Å | |
| N4 | HN4 | sing | 0.97Å | 1.03Å | |
| N5 | HN5 | sing | 0.97Å | 1.03Å | |
| N7 | HN7 | sing | 0.97Å | 1.04Å | |
| N9 | HN9 | sing | 0.97Å | 1.03Å | |
| O1P | P | doub | 1.48Å | 1.48Å | |
| O2P | P | sing | 1.61Å | 1.48Å | |
| O2P | HOP2 | sing | 0.97Å | 0.95Å | |
| O3' | HO'3 | sing | 0.97Å | 0.95Å | |
| O3P | P | sing | 1.61Å | 1.73Å | |
| O5' | P | sing | 1.61Å | 1.73Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2' | C1' | N1 | 116.8° | 109.9° |
| C2' | C1' | O4' | 104.6° | 107.5° |
| C2' | C1' | H1' | 112.4° | 109.8° |
| C1' | C2' | C3' | 101.0° | 104.2° |
| C1' | C2' | H2'1 | 112.7° | 110.5° |
| C1' | C2' | H2'2 | 112.9° | 110.5° |
| N1 | C1' | O4' | 105.6° | 109.9° |
| N1 | C1' | H1' | 108.3° | 109.8° |
| C1' | N1 | C2 | 117.1° | 119.7° |
| C1' | N1 | C6 | 124.6° | 119.7° |
| O4' | C1' | H1' | 108.6° | 109.9° |
| C1' | O4' | C4' | 108.1° | 106.9° |
| C11 | C10 | C9 | 110.0° | 109.5° |
| C11 | C10 | H101 | 109.5° | 109.5° |
| C11 | C10 | H102 | 109.5° | 109.5° |
| C10 | C11 | C12 | 110.1° | 109.5° |
| C10 | C11 | H111 | 109.7° | 109.5° |
| C10 | C11 | H112 | 109.6° | 109.5° |
| C9 | C10 | H101 | 109.9° | 109.5° |
| C9 | C10 | H102 | 109.5° | 109.5° |
| C10 | C9 | C8 | 110.4° | 109.4° |
| C10 | C9 | H91 | 109.6° | 109.4° |
| C10 | C9 | H92 | 109.5° | 109.4° |
| H101 | C10 | H102 | 108.4° | 109.4° |
| C12 | C11 | H111 | 109.6° | 109.4° |
| C12 | C11 | H112 | 109.5° | 109.4° |
| C11 | C12 | N4 | 111.6° | 109.5° |
| C11 | C12 | H121 | 109.2° | 109.5° |
| C11 | C12 | H122 | 109.3° | 109.5° |
| H111 | C11 | H112 | 108.4° | 109.5° |
| N4 | C12 | H121 | 109.1° | 109.4° |
| N4 | C12 | H122 | 109.3° | 109.5° |
| C12 | N4 | C13 | 111.1° | 120.0° |
| C12 | N4 | HN4 | 126.0° | 120.0° |
| H121 | C12 | H122 | 108.3° | 109.4° |
| C14 | C13 | N4 | 115.7° | 120.0° |
| C14 | C13 | O6 | 122.5° | 120.0° |
| C13 | C14 | C15 | 129.7° | 125.4° |
| C13 | C14 | N5 | 119.9° | 125.4° |
| N4 | C13 | O6 | 121.8° | 120.0° |
| C13 | N4 | HN4 | 117.6° | 120.0° |
| C15 | C14 | N5 | 110.4° | 109.2° |
| C14 | C15 | C16 | 96.8° | 107.7° |
| C14 | C15 | H15 | 134.8° | 126.1° |
| C14 | N5 | C17 | 102.4° | 108.7° |
| C14 | N5 | HN5 | 128.8° | 125.6° |
| C16 | C15 | H15 | 128.4° | 126.2° |
| C15 | C16 | C17 | 117.1° | 107.0° |
| C15 | C16 | C21 | 120.9° | 133.2° |
| C17 | C16 | C21 | 121.9° | 119.8° |
| C16 | C17 | C18 | 125.5° | 119.3° |
| C16 | C17 | N5 | 113.2° | 107.4° |
| C16 | C21 | C20 | 120.4° | 120.3° |
| C16 | C21 | C22 | 118.9° | 131.0° |
| C18 | C17 | N5 | 121.3° | 133.3° |
| C17 | C18 | C19 | 114.2° | 120.2° |
| C17 | C18 | H18 | 127.1° | 119.9° |
| C17 | N5 | HN5 | 128.8° | 125.6° |
| C19 | C18 | H18 | 118.6° | 119.9° |
| C18 | C19 | C20 | 115.3° | 121.1° |
| C18 | C19 | H19 | 118.1° | 119.5° |
| C20 | C19 | H19 | 126.5° | 119.4° |
| C19 | C20 | C21 | 122.3° | 119.3° |
| C19 | C20 | N6 | 135.3° | 129.0° |
| N1 | C2 | N3 | 117.1° | 120.9° |
| N1 | C2 | O2 | 122.1° | 119.5° |
| C2 | N1 | C6 | 118.3° | 120.6° |
| N3 | C2 | O2 | 120.7° | 119.6° |
| C2 | N3 | C4 | 126.8° | 120.3° |
| C2 | N3 | H3 | 116.4° | 119.8° |
| C3' | C2' | H2'1 | 109.5° | 110.5° |
| C3' | C2' | H2'2 | 110.3° | 110.5° |
| C2' | C3' | C4' | 108.3° | 102.1° |
| C2' | C3' | O3' | 109.6° | 110.9° |
| C2' | C3' | H3' | 109.8° | 110.9° |
| H2'1 | C2' | H2'2 | 110.1° | 110.5° |
| C21 | C20 | N6 | 102.1° | 111.6° |
| C20 | C21 | C22 | 119.0° | 108.7° |
| C20 | N6 | C23 | 116.0° | 110.0° |
| C20 | N6 | C24 | 121.1° | 125.0° |
| C21 | C22 | C23 | 100.8° | 104.6° |
| C21 | C22 | H221 | 111.3° | 110.4° |
| C21 | C22 | H222 | 111.0° | 110.5° |
| C23 | C22 | H221 | 110.8° | 110.4° |
| C23 | C22 | H222 | 112.9° | 110.4° |
| C22 | C23 | N6 | 99.7° | 105.0° |
| C22 | C23 | H231 | 110.4° | 110.3° |
| C22 | C23 | H232 | 111.7° | 110.3° |
| H221 | C22 | H222 | 109.9° | 110.5° |
| N6 | C23 | H231 | 108.3° | 110.3° |
| N6 | C23 | H232 | 109.4° | 110.4° |
| C23 | N6 | C24 | 120.6° | 125.0° |
| H231 | C23 | H232 | 116.0° | 110.4° |
| C25 | C24 | N6 | 124.1° | 120.0° |
| C25 | C24 | O7 | 119.0° | 120.0° |
| C24 | C25 | C26 | 129.9° | 125.4° |
| C24 | C25 | N7 | 118.5° | 125.4° |
| N6 | C24 | O7 | 117.0° | 120.0° |
| C26 | C25 | N7 | 111.6° | 109.2° |
| C25 | C26 | C27 | 96.0° | 107.8° |
| C25 | C26 | H26 | 132.8° | 126.2° |
| C25 | N7 | C28 | 103.4° | 108.8° |
| C25 | N7 | HN7 | 128.4° | 125.6° |
| C27 | C26 | H26 | 131.1° | 126.1° |
| C26 | C27 | C28 | 115.3° | 106.9° |
| C26 | C27 | C32 | 124.3° | 133.2° |
| C28 | C27 | C32 | 120.4° | 119.9° |
| C27 | C28 | C29 | 126.5° | 119.3° |
| C27 | C28 | N7 | 113.7° | 107.4° |
| C27 | C32 | C31 | 120.0° | 120.3° |
| C27 | C32 | C33 | 122.1° | 131.1° |
| C29 | C28 | N7 | 119.7° | 133.3° |
| C28 | C29 | C30 | 114.5° | 120.1° |
| C28 | C29 | H29 | 126.1° | 119.9° |
| C28 | N7 | HN7 | 128.3° | 125.6° |
| C30 | C29 | H29 | 119.3° | 119.9° |
| C29 | C30 | C31 | 115.3° | 121.1° |
| C29 | C30 | H30 | 118.9° | 119.4° |
| C4' | C3' | O3' | 109.0° | 111.0° |
| C4' | C3' | H3' | 109.7° | 110.9° |
| C3' | C4' | C5' | 110.3° | 110.6° |
| C3' | C4' | O4' | 106.5° | 103.6° |
| C3' | C4' | H4' | 109.8° | 110.6° |
| O3' | C3' | H3' | 110.3° | 110.8° |
| C3' | O3' | HO'3 | 109.7° | 106.8° |
| C31 | C30 | H30 | 125.6° | 119.5° |
| C30 | C31 | C32 | 123.3° | 119.3° |
| C30 | C31 | N8 | 134.9° | 129.0° |
| C32 | C31 | N8 | 101.8° | 111.7° |
| C31 | C32 | C33 | 117.9° | 108.7° |
| C31 | N8 | C34 | 114.7° | 110.0° |
| C31 | N8 | C35 | 121.1° | 125.0° |
| C32 | C33 | C34 | 99.2° | 104.6° |
| C32 | C33 | H331 | 112.3° | 110.4° |
| C32 | C33 | H332 | 111.7° | 110.5° |
| C34 | C33 | H331 | 110.1° | 110.4° |
| C34 | C33 | H332 | 112.4° | 110.5° |
| C33 | C34 | N8 | 98.6° | 105.1° |
| C33 | C34 | H341 | 111.8° | 110.4° |
| C33 | C34 | H342 | 111.2° | 110.4° |
| H331 | C33 | H332 | 110.8° | 110.4° |
| N8 | C34 | H341 | 110.5° | 110.3° |
| N8 | C34 | H342 | 110.2° | 110.3° |
| C34 | N8 | C35 | 123.1° | 125.0° |
| H341 | C34 | H342 | 113.6° | 110.3° |
| C36 | C35 | N8 | 125.3° | 120.0° |
| C36 | C35 | O8 | 118.3° | 120.0° |
| C35 | C36 | C37 | 130.2° | 125.4° |
| C35 | C36 | N9 | 119.2° | 125.5° |
| N8 | C35 | O8 | 116.4° | 120.0° |
| C37 | C36 | N9 | 110.6° | 109.1° |
| C36 | C37 | C38 | 96.9° | 107.8° |
| C36 | C37 | H37 | 133.6° | 126.2° |
| C36 | N9 | C39 | 102.9° | 108.8° |
| C36 | N9 | HN9 | 128.6° | 125.6° |
| C38 | C37 | H37 | 129.4° | 126.1° |
| C37 | C38 | C39 | 116.5° | 107.0° |
| C37 | C38 | C43 | 121.9° | 133.2° |
| C39 | C38 | C43 | 121.5° | 119.8° |
| C38 | C39 | C40 | 125.8° | 119.3° |
| C38 | C39 | N9 | 112.9° | 107.4° |
| C38 | C43 | C42 | 120.7° | 120.3° |
| C38 | C43 | C44 | 119.2° | 131.0° |
| C40 | C39 | N9 | 121.2° | 133.3° |
| C39 | C40 | C41 | 114.3° | 120.2° |
| C39 | C40 | H40 | 126.4° | 119.9° |
| C39 | N9 | HN9 | 128.4° | 125.6° |
| C5 | C4 | N3 | 115.0° | 119.4° |
| C5 | C4 | O4 | 124.4° | 120.3° |
| C4 | C5 | C5M | 115.8° | 120.5° |
| C4 | C5 | C6 | 121.9° | 119.1° |
| N3 | C4 | O4 | 120.6° | 120.3° |
| C4 | N3 | H3 | 116.8° | 119.9° |
| C5' | C4' | O4' | 109.2° | 110.8° |
| C5' | C4' | H4' | 110.5° | 110.6° |
| C4' | C5' | O5' | 109.9° | 109.4° |
| C4' | C5' | H5'1 | 110.6° | 109.5° |
| C4' | C5' | H5'2 | 110.6° | 109.5° |
| O4' | C4' | H4' | 110.4° | 110.5° |
| C41 | C40 | H40 | 119.3° | 119.9° |
| C40 | C41 | C42 | 114.9° | 121.0° |
| C40 | C41 | H41 | 119.0° | 119.5° |
| C42 | C41 | H41 | 126.1° | 119.5° |
| C41 | C42 | C43 | 122.5° | 119.3° |
| C41 | C42 | N10 | 136.0° | 129.0° |
| C43 | C42 | N10 | 101.3° | 111.7° |
| C42 | C43 | C44 | 118.6° | 108.7° |
| C42 | N10 | C45 | 115.9° | 110.0° |
| C42 | N10 | C46 | 124.0° | 125.0° |
| C43 | C44 | C45 | 101.0° | 104.6° |
| C43 | C44 | H441 | 110.6° | 110.4° |
| C43 | C44 | H442 | 111.2° | 110.4° |
| C45 | C44 | H441 | 111.7° | 110.4° |
| C45 | C44 | H442 | 109.6° | 110.4° |
| C44 | C45 | N10 | 101.0° | 105.0° |
| C44 | C45 | H451 | 110.9° | 110.4° |
| C44 | C45 | H452 | 111.0° | 110.3° |
| H441 | C44 | H442 | 112.2° | 110.4° |
| N10 | C45 | H451 | 110.0° | 110.3° |
| N10 | C45 | H452 | 109.6° | 110.3° |
| C45 | N10 | C46 | 119.5° | 125.0° |
| H451 | C45 | H452 | 113.6° | 110.4° |
| N10 | C46 | N15 | 117.0° | 120.0° |
| N10 | C46 | O9 | 121.6° | 120.0° |
| N15 | C46 | O9 | 121.4° | 120.0° |
| C46 | N15 | H151 | 117.4° | 120.0° |
| C46 | N15 | H152 | 117.2° | 120.0° |
| C5M | C5 | C6 | 122.3° | 120.4° |
| C5 | C5M | H5M1 | 109.6° | 109.4° |
| C5 | C5M | H5M2 | 109.5° | 109.5° |
| C5 | C5M | H5M3 | 109.3° | 109.5° |
| C5 | C6 | N1 | 120.8° | 119.7° |
| C5 | C6 | H6 | 116.7° | 120.1° |
| O5' | C5' | H5'1 | 108.8° | 109.5° |
| O5' | C5' | H5'2 | 108.9° | 109.4° |
| C5' | O5' | P | 117.7° | 106.8° |
| H5'1 | C5' | H5'2 | 108.0° | 109.5° |
| H5M1 | C5M | H5M2 | 109.5° | 109.5° |
| H5M1 | C5M | H5M3 | 109.5° | 109.4° |
| H5M2 | C5M | H5M3 | 109.4° | 109.5° |
| N1 | C6 | H6 | 122.4° | 120.1° |
| C8 | C7 | O3P | 109.7° | 109.6° |
| C8 | C7 | H71 | 109.9° | 109.4° |
| C8 | C7 | H72 | 109.8° | 109.4° |
| C7 | C8 | C9 | 110.2° | 109.5° |
| C7 | C8 | H81 | 109.6° | 109.5° |
| C7 | C8 | H82 | 109.7° | 109.5° |
| O3P | C7 | H71 | 109.4° | 109.5° |
| O3P | C7 | H72 | 109.5° | 109.4° |
| C7 | O3P | P | 117.8° | 106.9° |
| H71 | C7 | H72 | 108.5° | 109.4° |
| C9 | C8 | H81 | 109.5° | 109.5° |
| C9 | C8 | H82 | 109.6° | 109.4° |
| C8 | C9 | H91 | 109.5° | 109.5° |
| C8 | C9 | H92 | 109.5° | 109.5° |
| H81 | C8 | H82 | 108.3° | 109.5° |
| H91 | C9 | H92 | 108.3° | 109.6° |
| H151 | N15 | H152 | 120.0° | 120.0° |
| O1P | P | O2P | 116.1° | 109.5° |
| O1P | P | O3P | 110.0° | 109.5° |
| O1P | P | O5' | 110.0° | 109.5° |
| P | O2P | HOP2 | 116.1° | 106.8° |
| O2P | P | O3P | 110.1° | 109.5° |
| O2P | P | O5' | 109.9° | 109.5° |
| O3P | P | O5' | 99.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2' | C1' | N1 | O4' | 115.7° | 118.1° |
| C2' | C1' | N1 | H1' | 128.1° | 120.9° |
| C2' | C1' | O4' | H1' | 120.3° | 119.5° |
| C2' | C1' | N1 | C2 | 147.7° | 59.7° |
| C1' | C2' | C3' | H2'1 | 119.0° | 118.7° |
| C1' | C2' | C3' | H2'2 | 119.7° | 118.6° |
| C1' | C2' | H2'1 | H2'2 | 127.0° | 122.6° |
| C1' | C2' | C3' | C4' | 18.0° | 20.9° |
| C1' | C2' | C3' | O3' | 100.9° | 139.2° |
| C1' | C2' | C3' | H3' | 137.7° | 97.3° |
| C2' | C1' | O4' | C4' | 34.1° | 26.3° |
| C2' | C1' | N1 | C6 | 29.8° | 120.2° |
| N1 | C1' | O4' | H1' | 116.0° | 120.9° |
| C1' | N1 | C2 | C6 | 177.7° | 179.9° |
| C1' | N1 | C2 | N3 | 176.9° | 180.0° |
| C1' | N1 | C2 | O2 | 4.7° | 0.1° |
| N1 | C1' | C2' | C3' | 147.5° | 121.5° |
| N1 | C1' | C2' | H2'1 | 30.8° | 119.8° |
| N1 | C1' | C2' | H2'2 | 94.7° | 2.8° |
| N1 | C1' | O4' | C4' | 157.8° | 145.9° |
| C1' | N1 | C6 | C5 | 176.8° | 180.0° |
| C1' | N1 | C6 | H6 | 6.8° | 0.1° |
| O4' | C1' | N1 | C2 | 32.0° | 58.4° |
| O4' | C1' | C2' | C3' | 31.3° | 1.9° |
| O4' | C1' | C2' | H2'1 | 85.5° | 120.6° |
| O4' | C1' | C2' | H2'2 | 149.1° | 116.7° |
| C1' | O4' | C4' | C3' | 22.6° | 39.9° |
| C1' | O4' | C4' | C5' | 141.8° | 158.5° |
| C1' | O4' | C4' | H4' | 96.6° | 78.6° |
| O4' | C1' | N1 | C6 | 145.5° | 121.7° |
| H1' | C1' | N1 | C2 | 84.2° | 179.4° |
| H1' | C1' | C2' | C3' | 86.4° | 117.6° |
| H1' | C1' | C2' | H2'1 | 156.8° | 1.1° |
| H1' | C1' | C2' | H2'2 | 31.4° | 123.8° |
| H1' | C1' | O4' | C4' | 86.2° | 93.2° |
| H1' | C1' | N1 | C6 | 98.3° | 0.7° |
| C11 | C10 | C9 | H101 | 120.6° | 120.0° |
| C11 | C10 | C9 | H102 | 120.4° | 120.0° |
| C11 | C10 | H101 | H102 | 119.5° | 120.0° |
| C10 | C11 | C12 | H111 | 120.8° | 120.0° |
| C10 | C11 | C12 | H112 | 120.5° | 120.0° |
| C10 | C11 | H111 | H112 | 119.6° | 120.1° |
| C10 | C11 | C12 | N4 | 152.4° | 180.0° |
| C10 | C11 | C12 | H121 | 31.7° | 60.0° |
| C10 | C11 | C12 | H122 | 86.6° | 60.0° |
| C11 | C10 | C9 | C8 | 101.5° | 180.0° |
| C11 | C10 | C9 | H91 | 19.2° | 60.0° |
| C11 | C10 | C9 | H92 | 137.9° | 60.1° |
| C9 | C10 | H101 | H102 | 119.7° | 120.0° |
| C9 | C10 | C11 | C12 | 165.9° | 180.0° |
| C9 | C10 | C11 | H111 | 73.4° | 60.0° |
| C9 | C10 | C11 | H112 | 45.4° | 60.0° |
| C10 | C9 | C8 | C7 | 56.2° | 180.0° |
| C10 | C9 | C8 | H91 | 120.7° | 120.0° |
| C10 | C9 | C8 | H92 | 120.6° | 119.9° |
| C10 | C9 | C8 | H81 | 176.8° | 60.0° |
| C10 | C9 | C8 | H82 | 64.6° | 60.0° |
| C10 | C9 | H91 | H92 | 119.4° | 119.9° |
| H101 | C10 | C11 | C12 | 73.3° | 60.0° |
| H101 | C10 | C11 | H111 | 47.4° | 179.9° |
| H101 | C10 | C11 | H112 | 166.2° | 60.0° |
| H101 | C10 | C9 | C8 | 19.1° | 60.0° |
| H101 | C10 | C9 | H91 | 139.8° | 180.0° |
| H101 | C10 | C9 | H92 | 101.5° | 59.9° |
| H102 | C10 | C11 | C12 | 45.4° | 60.0° |
| H102 | C10 | C11 | H111 | 166.1° | 60.0° |
| H102 | C10 | C11 | H112 | 75.0° | 180.0° |
| H102 | C10 | C9 | C8 | 138.1° | 60.0° |
| H102 | C10 | C9 | H91 | 101.2° | 60.0° |
| H102 | C10 | C9 | H92 | 17.4° | 179.9° |
| C12 | C11 | H111 | H112 | 119.4° | 119.9° |
| C11 | C12 | N4 | H121 | 120.8° | 120.0° |
| C11 | C12 | N4 | H122 | 121.0° | 120.0° |
| C11 | C12 | H121 | H122 | 118.9° | 120.0° |
| C11 | C12 | N4 | C13 | 53.5° | 180.0° |
| C11 | C12 | N4 | HN4 | 153.2° | 0.0° |
| H111 | C11 | C12 | N4 | 31.6° | 60.0° |
| H111 | C11 | C12 | H121 | 89.1° | 180.0° |
| H111 | C11 | C12 | H122 | 152.6° | 60.0° |
| H112 | C11 | C12 | N4 | 87.1° | 60.0° |
| H112 | C11 | C12 | H121 | 152.2° | 60.0° |
| H112 | C11 | C12 | H122 | 33.9° | 180.0° |
| N4 | C12 | H121 | H122 | 118.8° | 119.9° |
| C12 | N4 | C13 | C14 | 179.9° | 180.0° |
| C12 | N4 | C13 | HN4 | 155.8° | 179.9° |
| C12 | N4 | C13 | O6 | 1.0° | 0.1° |
| H121 | C12 | N4 | C13 | 174.2° | 60.0° |
| H121 | C12 | N4 | HN4 | 32.4° | 120.1° |
| H122 | C12 | N4 | C13 | 67.6° | 59.9° |
| H122 | C12 | N4 | HN4 | 85.8° | 120.0° |
| C14 | C13 | N4 | O6 | 178.9° | 179.9° |
| C13 | C14 | C15 | N5 | 179.3° | 179.8° |
| C13 | C14 | C15 | C16 | 179.2° | 179.8° |
| C13 | C14 | C15 | H15 | 1.3° | 0.0° |
| C13 | C14 | N5 | C17 | 179.9° | 180.0° |
| C14 | C13 | N4 | HN4 | 24.3° | 0.1° |
| C13 | C14 | N5 | HN5 | 0.3° | 0.1° |
| N4 | C13 | C14 | C15 | 1.6° | 179.7° |
| N4 | C13 | C14 | N5 | 179.1° | 0.1° |
| O6 | C13 | C14 | C15 | 179.5° | 0.2° |
| O6 | C13 | C14 | N5 | 0.2° | 180.0° |
| O6 | C13 | N4 | HN4 | 156.8° | 180.0° |
| C14 | C15 | C16 | H15 | 179.5° | 179.8° |
| C14 | C15 | C16 | C17 | 1.0° | 0.4° |
| C14 | C15 | C16 | C21 | 177.5° | 179.9° |
| C15 | C14 | N5 | C17 | 0.7° | 0.2° |
| C15 | C14 | N5 | HN5 | 179.8° | 179.7° |
| N5 | C14 | C15 | C16 | 0.1° | 0.4° |
| N5 | C14 | C15 | H15 | 179.3° | 179.8° |
| C14 | N5 | C17 | C16 | 1.3° | 0.0° |
| C14 | N5 | C17 | C18 | 179.3° | 179.9° |
| C14 | N5 | C17 | HN5 | 179.6° | 179.9° |
| C15 | C16 | C17 | C21 | 176.4° | 179.7° |
| C15 | C16 | C17 | C18 | 179.5° | 179.7° |
| C15 | C16 | C17 | N5 | 1.6° | 0.3° |
| C15 | C16 | C21 | C20 | 177.2° | 179.6° |
| C15 | C16 | C21 | C22 | 17.6° | 0.3° |
| H15 | C15 | C16 | C17 | 178.5° | 179.7° |
| H15 | C15 | C16 | C21 | 2.0° | 0.1° |
| C16 | C17 | C18 | N5 | 177.7° | 180.0° |
| C16 | C17 | C18 | C19 | 2.0° | 0.0° |
| C16 | C17 | C18 | H18 | 175.1° | 179.9° |
| C17 | C16 | C21 | C20 | 6.5° | 0.0° |
| C17 | C16 | C21 | C22 | 158.7° | 180.0° |
| C16 | C17 | N5 | HN5 | 179.1° | 180.0° |
| C21 | C16 | C17 | C18 | 4.0° | 0.0° |
| C21 | C16 | C17 | N5 | 178.1° | 180.0° |
| C16 | C21 | C20 | C19 | 7.0° | 0.0° |
| C16 | C21 | C20 | C22 | 165.2° | 180.0° |
| C16 | C21 | C20 | N6 | 178.8° | 180.0° |
| C16 | C21 | C22 | C23 | 175.7° | 180.0° |
| C16 | C21 | C22 | H221 | 58.1° | 61.3° |
| C16 | C21 | C22 | H222 | 64.5° | 61.2° |
| C17 | C18 | C19 | H18 | 177.4° | 179.9° |
| C17 | C18 | C19 | C20 | 2.3° | 0.0° |
| C17 | C18 | C19 | H19 | 177.8° | 180.0° |
| C18 | C17 | N5 | HN5 | 1.1° | 0.0° |
| N5 | C17 | C18 | C19 | 179.7° | 180.0° |
| N5 | C17 | C18 | H18 | 2.6° | 0.1° |
| C18 | C19 | C20 | H19 | 179.9° | 180.0° |
| C18 | C19 | C20 | C21 | 4.9° | 0.0° |
| C18 | C19 | C20 | N6 | 176.9° | 180.0° |
| H18 | C18 | C19 | C20 | 175.1° | 179.9° |
| H18 | C18 | C19 | H19 | 4.8° | 0.1° |
| C19 | C20 | C21 | N6 | 174.2° | 180.0° |
| C19 | C20 | C21 | C22 | 158.1° | 180.0° |
| C19 | C20 | N6 | C23 | 157.7° | 180.0° |
| C19 | C20 | N6 | C24 | 5.0° | 0.0° |
| H19 | C19 | C20 | C21 | 175.1° | 180.0° |
| H19 | C19 | C20 | N6 | 3.2° | 0.0° |
| N1 | C2 | N3 | O2 | 178.4° | 179.9° |
| N1 | C2 | N3 | C4 | 0.3° | 0.3° |
| C2 | N1 | C6 | C5 | 0.6° | 0.1° |
| C2 | N1 | C6 | H6 | 175.7° | 180.0° |
| N1 | C2 | N3 | H3 | 179.9° | 180.0° |
| C2 | N3 | C4 | C5 | 0.4° | 0.5° |
| C2 | N3 | C4 | H3 | 179.6° | 179.7° |
| C2 | N3 | C4 | O4 | 179.5° | 180.0° |
| N3 | C2 | N1 | C6 | 0.8° | 0.1° |
| O2 | C2 | N3 | C4 | 178.1° | 179.8° |
| O2 | C2 | N1 | C6 | 177.6° | 180.0° |
| O2 | C2 | N3 | H3 | 1.5° | 0.0° |
| C3' | C2' | H2'1 | H2'2 | 121.4° | 122.6° |
| C2' | C3' | C4' | O3' | 119.2° | 118.2° |
| C2' | C3' | C4' | H3' | 119.8° | 118.2° |
| C2' | C3' | O3' | H3' | 121.0° | 123.6° |
| C2' | C3' | C4' | C5' | 119.7° | 155.7° |
| C2' | C3' | C4' | O4' | 1.3° | 37.0° |
| C2' | C3' | C4' | H4' | 118.3° | 81.5° |
| C2' | C3' | O3' | HO'3 | 180.0° | 61.5° |
| H2'1 | C2' | C3' | C4' | 101.1° | 97.8° |
| H2'1 | C2' | C3' | O3' | 140.0° | 20.4° |
| H2'1 | C2' | C3' | H3' | 18.7° | 144.0° |
| H2'2 | C2' | C3' | C4' | 137.6° | 139.6° |
| H2'2 | C2' | C3' | O3' | 18.8° | 102.2° |
| H2'2 | C2' | C3' | H3' | 102.6° | 21.4° |
| C20 | C21 | C22 | C23 | 10.3° | 0.0° |
| C20 | C21 | C22 | H221 | 107.2° | 118.7° |
| C20 | C21 | C22 | H222 | 130.1° | 118.8° |
| C21 | C20 | N6 | C23 | 15.3° | 0.0° |
| C21 | C20 | N6 | C24 | 178.0° | 180.0° |
| N6 | C20 | C21 | C22 | 16.1° | 0.0° |
| C20 | N6 | C23 | C22 | 9.6° | 0.0° |
| C20 | N6 | C23 | C24 | 162.8° | 179.9° |
| C20 | N6 | C23 | H231 | 105.8° | 118.9° |
| C20 | N6 | C23 | H232 | 126.9° | 118.9° |
| C20 | N6 | C24 | C25 | 177.4° | 180.0° |
| C20 | N6 | C24 | O7 | 1.9° | 0.1° |
| C21 | C22 | C23 | H221 | 117.9° | 118.7° |
| C21 | C22 | C23 | H222 | 118.4° | 118.8° |
| C21 | C22 | H221 | H222 | 123.3° | 122.5° |
| C21 | C22 | C23 | N6 | 0.2° | 0.0° |
| C21 | C22 | C23 | H231 | 114.0° | 118.8° |
| C21 | C22 | C23 | H232 | 115.4° | 118.9° |
| C23 | C22 | H221 | H222 | 125.4° | 122.4° |
| C22 | C23 | N6 | H231 | 115.4° | 118.9° |
| C22 | C23 | N6 | H232 | 117.3° | 118.9° |
| C22 | C23 | H231 | H232 | 128.4° | 122.2° |
| C22 | C23 | N6 | C24 | 172.4° | 179.9° |
| H221 | C22 | C23 | N6 | 117.7° | 118.7° |
| H221 | C22 | C23 | H231 | 3.9° | 0.1° |
| H221 | C22 | C23 | H232 | 126.7° | 122.3° |
| H222 | C22 | C23 | N6 | 118.6° | 118.8° |
| H222 | C22 | C23 | H231 | 127.6° | 122.3° |
| H222 | C22 | C23 | H232 | 3.0° | 0.1° |
| N6 | C23 | H231 | H232 | 123.4° | 122.2° |
| C23 | N6 | C24 | C25 | 20.7° | 0.1° |
| C23 | N6 | C24 | O7 | 160.0° | 180.0° |
| H231 | C23 | N6 | C24 | 57.0° | 61.2° |
| H232 | C23 | N6 | C24 | 70.3° | 61.0° |
| C25 | C24 | N6 | O7 | 179.3° | 179.9° |
| C24 | C25 | C26 | N7 | 178.9° | 179.7° |
| C24 | C25 | C26 | C27 | 179.6° | 179.8° |
| C24 | C25 | C26 | H26 | 2.9° | 0.0° |
| C24 | C25 | N7 | C28 | 179.5° | 180.0° |
| C24 | C25 | N7 | HN7 | 0.3° | 0.0° |
| N6 | C24 | C25 | C26 | 1.1° | 179.6° |
| N6 | C24 | C25 | N7 | 180.0° | 0.0° |
| O7 | C24 | C25 | C26 | 179.5° | 0.3° |
| O7 | C24 | C25 | N7 | 0.7° | 179.9° |
| C25 | C26 | C27 | H26 | 177.5° | 179.8° |
| C25 | C26 | C27 | C28 | 0.8° | 0.5° |
| C25 | C26 | C27 | C32 | 178.8° | 179.9° |
| C26 | C25 | N7 | C28 | 0.5° | 0.3° |
| C26 | C25 | N7 | HN7 | 179.4° | 179.7° |
| N7 | C25 | C26 | C27 | 0.7° | 0.5° |
| N7 | C25 | C26 | H26 | 178.2° | 179.8° |
| C25 | N7 | C28 | C27 | 0.0° | 0.0° |
| C25 | N7 | C28 | C29 | 179.8° | 180.0° |
| C25 | N7 | C28 | HN7 | 179.8° | 179.9° |
| C26 | C27 | C28 | C32 | 178.1° | 179.7° |
| C26 | C27 | C28 | C29 | 179.7° | 179.7° |
| C26 | C27 | C28 | N7 | 0.6° | 0.3° |
| C26 | C27 | C32 | C31 | 179.6° | 179.6° |
| C26 | C27 | C32 | C33 | 2.6° | 0.4° |
| H26 | C26 | C27 | C28 | 178.3° | 179.8° |
| H26 | C26 | C27 | C32 | 3.7° | 0.2° |
| C27 | C28 | C29 | N7 | 179.7° | 179.9° |
| C27 | C28 | C29 | C30 | 0.5° | 0.0° |
| C27 | C28 | C29 | H29 | 175.9° | 180.0° |
| C28 | C27 | C32 | C31 | 2.4° | 0.1° |
| C28 | C27 | C32 | C33 | 175.3° | 180.0° |
| C27 | C28 | N7 | HN7 | 179.9° | 180.0° |
| C32 | C27 | C28 | C29 | 1.5° | 0.0° |
| C32 | C27 | C28 | N7 | 178.7° | 179.9° |
| C27 | C32 | C31 | C30 | 2.3° | 0.1° |
| C27 | C32 | C31 | C33 | 177.8° | 180.0° |
| C27 | C32 | C31 | N8 | 176.5° | 180.0° |
| C27 | C32 | C33 | C34 | 161.1° | 180.0° |
| C27 | C32 | C33 | H331 | 82.6° | 61.2° |
| C27 | C32 | C33 | H332 | 42.5° | 61.2° |
| C28 | C29 | C30 | H29 | 176.7° | 180.0° |
| C28 | C29 | C30 | C31 | 0.3° | 0.0° |
| C28 | C29 | C30 | H30 | 175.4° | 180.0° |
| C29 | C28 | N7 | HN7 | 0.4° | 0.1° |
| N7 | C28 | C29 | C30 | 179.8° | 179.9° |
| N7 | C28 | C29 | H29 | 3.8° | 0.1° |
| C29 | C30 | C31 | H30 | 175.3° | 179.9° |
| C29 | C30 | C31 | C32 | 1.3° | 0.1° |
| C29 | C30 | C31 | N8 | 177.1° | 179.9° |
| H29 | C29 | C30 | C31 | 176.4° | 180.0° |
| H29 | C29 | C30 | H30 | 7.9° | 0.0° |
| C4' | C3' | O3' | H3' | 120.6° | 123.7° |
| C3' | C4' | C5' | O4' | 116.8° | 114.2° |
| C3' | C4' | C5' | H4' | 121.6° | 122.9° |
| C3' | C4' | O4' | H4' | 119.2° | 118.5° |
| C3' | C4' | C5' | O5' | 39.3° | 180.0° |
| C3' | C4' | C5' | H5'1 | 159.4° | 60.0° |
| C3' | C4' | C5' | H5'2 | 81.0° | 60.0° |
| C4' | C3' | O3' | HO'3 | 61.6° | 174.2° |
| O3' | C3' | C4' | C5' | 121.0° | 86.1° |
| O3' | C3' | C4' | O4' | 120.5° | 155.2° |
| O3' | C3' | C4' | H4' | 1.0° | 36.7° |
| H3' | C3' | C4' | C5' | 0.1° | 37.5° |
| H3' | C3' | C4' | O4' | 118.5° | 81.2° |
| H3' | C3' | C4' | H4' | 121.9° | 160.4° |
| H3' | C3' | O3' | HO'3 | 59.0° | 62.1° |
| C30 | C31 | C32 | N8 | 178.8° | 179.9° |
| C30 | C31 | C32 | C33 | 175.5° | 179.9° |
| C30 | C31 | N8 | C34 | 164.3° | 179.9° |
| C30 | C31 | N8 | C35 | 3.9° | 0.1° |
| H30 | C30 | C31 | C32 | 174.1° | 180.0° |
| H30 | C30 | C31 | N8 | 7.6° | 0.1° |
| C31 | C32 | C33 | C34 | 21.1° | 0.0° |
| C31 | C32 | C33 | H331 | 95.1° | 118.8° |
| C31 | C32 | C33 | H332 | 139.8° | 118.9° |
| C32 | C31 | N8 | C34 | 14.4° | 0.1° |
| C32 | C31 | N8 | C35 | 177.5° | 180.0° |
| N8 | C31 | C32 | C33 | 5.7° | 0.0° |
| C31 | N8 | C34 | C33 | 26.2° | 0.0° |
| C31 | N8 | C34 | C35 | 167.9° | 179.9° |
| C31 | N8 | C34 | H341 | 143.5° | 118.9° |
| C31 | N8 | C34 | H342 | 90.2° | 119.0° |
| C31 | N8 | C35 | C36 | 177.4° | 179.9° |
| C31 | N8 | C35 | O8 | 2.3° | 0.0° |
| C32 | C33 | C34 | H331 | 118.0° | 118.8° |
| C32 | C33 | C34 | H332 | 118.1° | 118.8° |
| C32 | C33 | H331 | H332 | 125.6° | 122.4° |
| C32 | C33 | C34 | N8 | 24.8° | 0.0° |
| C32 | C33 | C34 | H341 | 141.1° | 118.9° |
| C32 | C33 | C34 | H342 | 90.8° | 118.9° |
| C34 | C33 | H331 | H332 | 124.9° | 122.4° |
| C33 | C34 | N8 | H341 | 117.3° | 118.9° |
| C33 | C34 | N8 | H342 | 116.4° | 119.0° |
| C33 | C34 | H341 | H342 | 126.8° | 122.2° |
| C33 | C34 | N8 | C35 | 165.9° | 180.0° |
| H331 | C33 | C34 | N8 | 93.1° | 118.8° |
| H331 | C33 | C34 | H341 | 23.1° | 0.1° |
| H331 | C33 | C34 | H342 | 151.2° | 122.3° |
| H332 | C33 | C34 | N8 | 142.9° | 118.8° |
| H332 | C33 | C34 | H341 | 100.8° | 122.3° |
| H332 | C33 | C34 | H342 | 27.3° | 0.1° |
| N8 | C34 | H341 | H342 | 124.4° | 122.1° |
| C34 | N8 | C35 | C36 | 15.5° | 0.0° |
| C34 | N8 | C35 | O8 | 164.9° | 179.9° |
| H341 | C34 | N8 | C35 | 48.6° | 61.1° |
| H342 | C34 | N8 | C35 | 77.7° | 61.1° |
| C36 | C35 | N8 | O8 | 179.6° | 179.9° |
| C35 | C36 | C37 | N9 | 179.2° | 179.8° |
| C35 | C36 | C37 | C38 | 179.9° | 179.9° |
| C35 | C36 | C37 | H37 | 2.4° | 0.1° |
| C35 | C36 | N9 | C39 | 179.1° | 180.0° |
| C35 | C36 | N9 | HN9 | 0.5° | 0.1° |
| N8 | C35 | C36 | C37 | 0.0° | 179.8° |
| N8 | C35 | C36 | N9 | 179.1° | 0.0° |
| O8 | C35 | C36 | C37 | 179.6° | 0.2° |
| O8 | C35 | C36 | N9 | 1.3° | 179.9° |
| C36 | C37 | C38 | H37 | 177.9° | 179.9° |
| C36 | C37 | C38 | C39 | 1.5° | 0.3° |
| C36 | C37 | C38 | C43 | 177.5° | 179.9° |
| C37 | C36 | N9 | C39 | 0.1° | 0.2° |
| C37 | C36 | N9 | HN9 | 179.8° | 179.7° |
| N9 | C36 | C37 | C38 | 0.7° | 0.3° |
| N9 | C36 | C37 | H37 | 178.5° | 179.7° |
| C36 | N9 | C39 | C38 | 1.1° | 0.0° |
| C36 | N9 | C39 | C40 | 179.6° | 180.0° |
| C36 | N9 | C39 | HN9 | 179.6° | 179.9° |
| C37 | C38 | C39 | C43 | 176.1° | 179.8° |
| C37 | C38 | C39 | C40 | 179.8° | 179.8° |
| C37 | C38 | C39 | N9 | 1.8° | 0.2° |
| C37 | C38 | C43 | C42 | 178.1° | 179.7° |
| C37 | C38 | C43 | C44 | 15.9° | 0.3° |
| H37 | C37 | C38 | C39 | 179.4° | 179.7° |
| H37 | C37 | C38 | C43 | 4.6° | 0.1° |
| C38 | C39 | C40 | N9 | 178.2° | 180.0° |
| C38 | C39 | C40 | C41 | 1.6° | 0.0° |
| C38 | C39 | C40 | H40 | 176.5° | 180.0° |
| C39 | C38 | C43 | C42 | 6.1° | 0.0° |
| C39 | C38 | C43 | C44 | 159.9° | 180.0° |
| C38 | C39 | N9 | HN9 | 179.3° | 180.0° |
| C43 | C38 | C39 | C40 | 3.8° | 0.0° |
| C43 | C38 | C39 | N9 | 177.9° | 180.0° |
| C38 | C43 | C42 | C41 | 6.4° | 0.0° |
| C38 | C43 | C42 | C44 | 166.1° | 180.0° |
| C38 | C43 | C42 | N10 | 178.3° | 180.0° |
| C38 | C43 | C44 | C45 | 177.8° | 180.0° |
| C38 | C43 | C44 | H441 | 59.4° | 61.2° |
| C38 | C43 | C44 | H442 | 66.0° | 61.2° |
| C39 | C40 | C41 | H40 | 178.2° | 180.0° |
| C39 | C40 | C41 | C42 | 1.6° | 0.0° |
| C39 | C40 | C41 | H41 | 177.1° | 180.0° |
| C40 | C39 | N9 | HN9 | 0.8° | 0.1° |
| N9 | C39 | C40 | C41 | 179.8° | 180.0° |
| N9 | C39 | C40 | H40 | 1.7° | 0.0° |
| C5 | C4 | N3 | O4 | 179.9° | 179.5° |
| C4 | C5 | C5M | C6 | 178.6° | 179.7° |
| C4 | C5 | C5M | H5M1 | 26.3° | 0.3° |
| C4 | C5 | C5M | H5M2 | 93.8° | 119.7° |
| C4 | C5 | C5M | H5M3 | 146.3° | 120.2° |
| C4 | C5 | C6 | N1 | 0.0° | 0.3° |
| C4 | C5 | C6 | H6 | 176.6° | 179.8° |
| C5 | C4 | N3 | H3 | 179.2° | 179.8° |
| N3 | C4 | C5 | C5M | 179.1° | 179.8° |
| N3 | C4 | C5 | C6 | 0.5° | 0.5° |
| O4 | C4 | C5 | C5M | 0.8° | 0.2° |
| O4 | C4 | C5 | C6 | 179.4° | 180.0° |
| O4 | C4 | N3 | H3 | 0.9° | 0.2° |
| C5' | C4' | O4' | H4' | 121.6° | 122.9° |
| C4' | C5' | O5' | H5'1 | 121.2° | 120.0° |
| C4' | C5' | O5' | H5'2 | 121.3° | 120.0° |
| C4' | C5' | H5'1 | H5'2 | 121.2° | 120.0° |
| C4' | C5' | O5' | P | 139.0° | 180.0° |
| O4' | C4' | C5' | O5' | 77.5° | 65.8° |
| O4' | C4' | C5' | H5'1 | 42.6° | 174.2° |
| O4' | C4' | C5' | H5'2 | 162.2° | 54.2° |
| H4' | C4' | C5' | O5' | 160.9° | 57.1° |
| H4' | C4' | C5' | H5'1 | 78.9° | 62.9° |
| H4' | C4' | C5' | H5'2 | 40.7° | 177.1° |
| C40 | C41 | C42 | H41 | 178.6° | 180.0° |
| C40 | C41 | C42 | C43 | 4.1° | 0.0° |
| C40 | C41 | C42 | N10 | 177.5° | 180.0° |
| H40 | C40 | C41 | C42 | 176.6° | 180.0° |
| H40 | C40 | C41 | H41 | 4.7° | 0.0° |
| C41 | C42 | C43 | N10 | 175.3° | 180.0° |
| C41 | C42 | C43 | C44 | 159.7° | 180.0° |
| C41 | C42 | N10 | C45 | 166.1° | 180.0° |
| C41 | C42 | N10 | C46 | 4.5° | 0.1° |
| H41 | C41 | C42 | C43 | 174.5° | 180.0° |
| H41 | C41 | C42 | N10 | 1.1° | 0.0° |
| C42 | C43 | C44 | C45 | 15.9° | 0.0° |
| C42 | C43 | C44 | H441 | 134.3° | 118.8° |
| C42 | C43 | C44 | H442 | 100.3° | 118.8° |
| C43 | C42 | N10 | C45 | 8.2° | 0.0° |
| C43 | C42 | N10 | C46 | 178.8° | 179.9° |
| N10 | C42 | C43 | C44 | 15.6° | 0.0° |
| C42 | N10 | C45 | C44 | 0.5° | 0.0° |
| C42 | N10 | C45 | C46 | 171.1° | 179.9° |
| C42 | N10 | C45 | H451 | 116.7° | 118.9° |
| C42 | N10 | C45 | H452 | 117.7° | 118.9° |
| C42 | N10 | C46 | N15 | 177.9° | 180.0° |
| C42 | N10 | C46 | O9 | 2.2° | 0.0° |
| C43 | C44 | C45 | H441 | 117.6° | 118.9° |
| C43 | C44 | C45 | H442 | 117.4° | 118.8° |
| C43 | C44 | H441 | H442 | 124.8° | 122.4° |
| C43 | C44 | C45 | N10 | 8.6° | 0.0° |
| C43 | C44 | C45 | H451 | 108.0° | 118.9° |
| C43 | C44 | C45 | H452 | 124.7° | 118.8° |
| C45 | C44 | H441 | H442 | 123.6° | 122.3° |
| C44 | C45 | N10 | H451 | 117.2° | 118.9° |
| C44 | C45 | N10 | H452 | 117.2° | 118.8° |
| C44 | C45 | H451 | H452 | 125.9° | 122.2° |
| C44 | C45 | N10 | C46 | 170.6° | 179.9° |
| H441 | C44 | C45 | N10 | 126.1° | 118.9° |
| H441 | C44 | C45 | H451 | 9.6° | 0.0° |
| H441 | C44 | C45 | H452 | 117.7° | 122.3° |
| H442 | C44 | C45 | N10 | 108.8° | 118.8° |
| H442 | C44 | C45 | H451 | 134.6° | 122.3° |
| H442 | C44 | C45 | H452 | 7.3° | 0.0° |
| N10 | C45 | H451 | H452 | 123.3° | 122.1° |
| C45 | N10 | C46 | N15 | 11.7° | 0.1° |
| C45 | N10 | C46 | O9 | 168.1° | 179.9° |
| H451 | C45 | N10 | C46 | 72.2° | 61.0° |
| H452 | C45 | N10 | C46 | 53.4° | 61.2° |
| N10 | C46 | N15 | O9 | 179.9° | 180.0° |
| N10 | C46 | N15 | H151 | 85.2° | 180.0° |
| N10 | C46 | N15 | H152 | 68.8° | 0.0° |
| C46 | N15 | H151 | H152 | 153.2° | 180.0° |
| O9 | C46 | N15 | H151 | 95.0° | 0.0° |
| O9 | C46 | N15 | H152 | 111.1° | 180.0° |
| C5 | C5M | H5M1 | H5M2 | 120.1° | 120.0° |
| C5 | C5M | H5M1 | H5M3 | 119.9° | 120.0° |
| C5 | C5M | H5M2 | H5M3 | 119.7° | 120.1° |
| C5M | C5 | C6 | N1 | 178.5° | 180.0° |
| C5M | C5 | C6 | H6 | 4.9° | 0.1° |
| C6 | C5 | C5M | H5M1 | 155.1° | 180.0° |
| C6 | C5 | C5M | H5M2 | 84.7° | 60.0° |
| C6 | C5 | C5M | H5M3 | 35.1° | 60.0° |
| C5 | C6 | N1 | H6 | 176.3° | 179.9° |
| O5' | C5' | H5'1 | H5'2 | 118.1° | 120.0° |
| C5' | O5' | P | O1P | 156.0° | 60.0° |
| C5' | O5' | P | O2P | 75.1° | 60.0° |
| C5' | O5' | P | O3P | 40.5° | 180.0° |
| H5'1 | C5' | O5' | P | 99.8° | 60.0° |
| H5'2 | C5' | O5' | P | 17.8° | 60.0° |
| H5M1 | C5M | H5M2 | H5M3 | 120.0° | 120.0° |
| C8 | C7 | O3P | H71 | 120.6° | 120.0° |
| C8 | C7 | O3P | H72 | 120.7° | 120.0° |
| C8 | C7 | H71 | H72 | 120.1° | 119.9° |
| C7 | C8 | C9 | H81 | 120.6° | 120.0° |
| C7 | C8 | C9 | H82 | 120.8° | 120.0° |
| C7 | C8 | H81 | H82 | 119.6° | 120.0° |
| C7 | C8 | C9 | H91 | 176.9° | 60.1° |
| C7 | C8 | C9 | H92 | 64.5° | 60.1° |
| C8 | C7 | O3P | P | 85.6° | 180.0° |
| O3P | C7 | H71 | H72 | 119.4° | 120.0° |
| O3P | C7 | C8 | C9 | 95.2° | 180.0° |
| O3P | C7 | C8 | H81 | 144.2° | 60.0° |
| O3P | C7 | C8 | H82 | 25.5° | 60.0° |
| C7 | O3P | P | O1P | 107.4° | 60.0° |
| C7 | O3P | P | O2P | 21.8° | 60.0° |
| C7 | O3P | P | O5' | 137.2° | 180.0° |
| H71 | C7 | C8 | C9 | 25.0° | 60.0° |
| H71 | C7 | C8 | H81 | 95.5° | 180.0° |
| H71 | C7 | C8 | H82 | 145.8° | 60.0° |
| H71 | C7 | O3P | P | 153.9° | 60.0° |
| H72 | C7 | C8 | C9 | 144.3° | 60.0° |
| H72 | C7 | C8 | H81 | 23.8° | 60.0° |
| H72 | C7 | C8 | H82 | 95.0° | 179.9° |
| H72 | C7 | O3P | P | 35.1° | 60.0° |
| C9 | C8 | H81 | H82 | 119.4° | 120.0° |
| C8 | C9 | H91 | H92 | 119.4° | 120.1° |
| H81 | C8 | C9 | H91 | 62.5° | 179.9° |
| H81 | C8 | C9 | H92 | 56.1° | 59.9° |
| H82 | C8 | C9 | H91 | 56.1° | 59.9° |
| H82 | C8 | C9 | H92 | 174.7° | 179.9° |
| O1P | P | O2P | O3P | 125.8° | 120.0° |
| O1P | P | O2P | O5' | 125.6° | 120.0° |
| O1P | P | O2P | HOP2 | 180.0° | 180.0° |
| O1P | P | O3P | O5' | 115.4° | 120.0° |
| O2P | P | O3P | O5' | 115.4° | 120.0° |
| HOP2 | O2P | P | O3P | 54.2° | 60.0° |
| HOP2 | O2P | P | O5' | 54.4° | 60.0° |
