Obsolete: 191
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32A | sing | 1.09Å | 1.10Å | |
| C3 | H33A | sing | 1.09Å | 1.10Å | |
| C2 | C1 | sing | 1.51Å | 1.53Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22A | sing | 1.09Å | 1.10Å | |
| C1 | O1 | doub | 1.21Å | 1.23Å | |
| C1 | S4 | sing | 1.71Å | 1.75Å | |
| S4 | C5 | sing | 1.81Å | 1.83Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C6 | N7 | sing | 1.46Å | 1.47Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| N7 | C8 | sing | 1.35Å | 1.33Å | |
| N7 | H7 | sing | 0.97Å | 1.00Å | |
| C8 | O8 | doub | 1.21Å | 1.23Å | |
| C8 | C9 | sing | 1.51Å | 1.39Å | |
| C9 | C10 | sing | 1.53Å | 1.39Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C10 | N11 | sing | 1.47Å | 1.32Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| N11 | C12 | sing | 1.35Å | 1.33Å | |
| N11 | H11 | sing | 0.97Å | 1.00Å | |
| C12 | O13 | doub | 1.21Å | 1.23Å | |
| C12 | C14 | sing | 1.51Å | 1.53Å | |
| C14 | O15 | sing | 1.43Å | 1.43Å | |
| C14 | C16 | sing | 1.53Å | 1.53Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| O15 | H15 | sing | 0.97Å | 0.95Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C16 | C18 | sing | 1.53Å | 1.53Å | |
| C16 | C19 | sing | 1.53Å | 1.53Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H173 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| C19 | O20 | sing | 1.43Å | 1.43Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| O20 | P21 | sing | 1.61Å | 1.61Å | |
| P21 | O22 | sing | 1.61Å | 1.48Å | |
| P21 | O23 | doub | 1.48Å | 1.48Å | |
| P21 | O24 | sing | 1.61Å | 1.62Å | |
| O22 | H22 | sing | 0.97Å | 0.95Å | |
| O24 | P25 | sing | 1.61Å | 1.61Å | |
| O27 | P25 | sing | 1.61Å | 1.61Å | |
| O27 | H27 | sing | 0.97Å | 0.95Å | |
| P25 | O26 | doub | 1.48Å | 1.49Å | |
| P25 | O5' | sing | 1.61Å | 1.62Å | |
| O5' | C5' | sing | 1.43Å | 1.43Å | |
| C5' | C4' | sing | 1.53Å | 1.53Å | |
| C5' | H5'1 | sing | 1.09Å | 1.10Å | |
| C5' | H5'2 | sing | 1.09Å | 1.10Å | |
| C4' | O4' | sing | 1.44Å | 1.44Å | |
| C4' | C3' | sing | 1.54Å | 1.53Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| O4' | C1' | sing | 1.44Å | 1.44Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | C2' | sing | 1.55Å | 1.53Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | P28 | sing | 1.61Å | 1.61Å | |
| P28 | O32 | sing | 1.61Å | 1.61Å | |
| P28 | O31 | doub | 1.48Å | 1.61Å | |
| P28 | O33 | sing | 1.61Å | 1.48Å | |
| O32 | H32 | sing | 0.97Å | 0.95Å | |
| O33 | H33 | sing | 0.97Å | 0.95Å | |
| C2' | O2' | sing | 1.43Å | 1.43Å | |
| C2' | C1' | sing | 1.55Å | 1.53Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | HO'2 | sing | 0.97Å | 0.95Å | |
| C1' | N29 | sing | 1.47Å | 1.48Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| N29 | C30 | sing | 1.33Å | 1.33Å | Aromatic |
| N29 | C36 | doub | 1.33Å | 1.33Å | Aromatic |
| C30 | N34 | doub | 1.32Å | 1.33Å | Aromatic |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| N34 | C35 | sing | 1.34Å | 1.33Å | Aromatic |
| C35 | C36 | sing | 1.42Å | 1.39Å | Aromatic |
| C35 | C40 | doub | 1.40Å | 1.39Å | Aromatic |
| C36 | N37 | sing | 1.35Å | 1.34Å | Aromatic |
| N37 | C38 | doub | 1.30Å | 1.32Å | Aromatic |
| C38 | N39 | sing | 1.36Å | 1.32Å | Aromatic |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| N39 | C40 | sing | 1.36Å | 1.34Å | Aromatic |
| N39 | H39 | sing | 0.97Å | 1.00Å | |
| C40 | N41 | sing | 1.37Å | 1.33Å | |
| N41 | H411 | sing | 0.97Å | 1.00Å | |
| N41 | H412 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C3 | H31 | 109.5° | 109.5° |
| C2 | C3 | H32A | 109.5° | 109.5° |
| C2 | C3 | H33A | 109.5° | 109.5° |
| C3 | C2 | C1 | 110.4° | 109.5° |
| C3 | C2 | H21 | 109.3° | 109.4° |
| C3 | C2 | H22A | 109.3° | 109.5° |
| H31 | C3 | H32A | 109.4° | 109.4° |
| H31 | C3 | H33A | 109.5° | 109.5° |
| H32A | C3 | H33A | 109.5° | 109.5° |
| C1 | C2 | H21 | 109.2° | 109.5° |
| C1 | C2 | H22A | 109.2° | 109.5° |
| C2 | C1 | O1 | 120.6° | 120.0° |
| C2 | C1 | S4 | 120.0° | 119.9° |
| H21 | C2 | H22A | 109.5° | 109.5° |
| O1 | C1 | S4 | 119.4° | 120.1° |
| C1 | S4 | C5 | 101.2° | 100.0° |
| S4 | C5 | C6 | 113.5° | 109.5° |
| S4 | C5 | H51 | 108.5° | 109.5° |
| S4 | C5 | H52 | 108.4° | 109.5° |
| C6 | C5 | H51 | 108.5° | 109.4° |
| C6 | C5 | H52 | 108.5° | 109.5° |
| C5 | C6 | N7 | 108.5° | 109.5° |
| C5 | C6 | H61 | 109.7° | 109.5° |
| C5 | C6 | H62 | 109.7° | 109.5° |
| H51 | C5 | H52 | 109.5° | 109.5° |
| N7 | C6 | H61 | 109.7° | 109.5° |
| N7 | C6 | H62 | 109.7° | 109.4° |
| C6 | N7 | C8 | 122.5° | 120.0° |
| C6 | N7 | H7 | 118.7° | 120.0° |
| H61 | C6 | H62 | 109.5° | 109.5° |
| C8 | N7 | H7 | 118.8° | 120.0° |
| N7 | C8 | O8 | 122.6° | 120.0° |
| N7 | C8 | C9 | 118.8° | 120.0° |
| O8 | C8 | C9 | 118.6° | 120.0° |
| C8 | C9 | C10 | 122.2° | 109.5° |
| C8 | C9 | H91 | 106.2° | 109.4° |
| C8 | C9 | H92 | 106.2° | 109.5° |
| C10 | C9 | H91 | 106.2° | 109.5° |
| C10 | C9 | H92 | 106.2° | 109.5° |
| C9 | C10 | N11 | 124.4° | 109.5° |
| C9 | C10 | H101 | 105.6° | 109.5° |
| C9 | C10 | H102 | 105.6° | 109.5° |
| H91 | C9 | H92 | 109.5° | 109.5° |
| N11 | C10 | H101 | 105.6° | 109.4° |
| N11 | C10 | H102 | 105.6° | 109.5° |
| C10 | N11 | C12 | 127.8° | 120.0° |
| C10 | N11 | H11 | 116.1° | 119.9° |
| H101 | C10 | H102 | 109.5° | 109.4° |
| C12 | N11 | H11 | 116.1° | 120.0° |
| N11 | C12 | O13 | 122.6° | 120.0° |
| N11 | C12 | C14 | 117.8° | 120.0° |
| O13 | C12 | C14 | 119.6° | 120.0° |
| C12 | C14 | O15 | 109.9° | 109.5° |
| C12 | C14 | C16 | 112.6° | 109.5° |
| C12 | C14 | H14 | 107.7° | 109.5° |
| O15 | C14 | C16 | 109.8° | 109.4° |
| O15 | C14 | H14 | 109.0° | 109.5° |
| C14 | O15 | H15 | 109.5° | 114.0° |
| C16 | C14 | H14 | 107.7° | 109.5° |
| C14 | C16 | C17 | 110.0° | 109.5° |
| C14 | C16 | C18 | 109.1° | 109.5° |
| C14 | C16 | C19 | 110.6° | 109.5° |
| C17 | C16 | C18 | 108.8° | 109.5° |
| C17 | C16 | C19 | 109.2° | 109.5° |
| C16 | C17 | H171 | 109.5° | 109.5° |
| C16 | C17 | H172 | 109.4° | 109.5° |
| C16 | C17 | H173 | 109.5° | 109.5° |
| C18 | C16 | C19 | 109.2° | 109.4° |
| C16 | C18 | H181 | 109.5° | 109.5° |
| C16 | C18 | H182 | 109.5° | 109.5° |
| C16 | C18 | H183 | 109.5° | 109.5° |
| C16 | C19 | O20 | 111.1° | 109.5° |
| C16 | C19 | H191 | 109.1° | 109.4° |
| C16 | C19 | H192 | 109.1° | 109.4° |
| H171 | C17 | H172 | 109.5° | 109.4° |
| H171 | C17 | H173 | 109.5° | 109.5° |
| H172 | C17 | H173 | 109.5° | 109.5° |
| H181 | C18 | H182 | 109.4° | 109.5° |
| H181 | C18 | H183 | 109.5° | 109.4° |
| H182 | C18 | H183 | 109.5° | 109.4° |
| O20 | C19 | H191 | 109.1° | 109.4° |
| O20 | C19 | H192 | 109.1° | 109.5° |
| C19 | O20 | P21 | 120.3° | 123.0° |
| H191 | C19 | H192 | 109.5° | 109.5° |
| O20 | P21 | O22 | 106.9° | 109.4° |
| O20 | P21 | O23 | 109.5° | 109.5° |
| O20 | P21 | O24 | 103.4° | 109.5° |
| O22 | P21 | O23 | 117.8° | 109.5° |
| O22 | P21 | O24 | 108.6° | 109.5° |
| P21 | O22 | H22 | 109.5° | 114.0° |
| O23 | P21 | O24 | 109.6° | 109.5° |
| P21 | O24 | P25 | 116.7° | 134.0° |
| O24 | P25 | O27 | 53.0° | 109.5° |
| O24 | P25 | O26 | 117.9° | 109.5° |
| O24 | P25 | O5' | 117.8° | 109.4° |
| P25 | O27 | H27 | 109.5° | 114.0° |
| O27 | P25 | O26 | 119.4° | 109.5° |
| O27 | P25 | O5' | 117.2° | 109.4° |
| O26 | P25 | O5' | 116.6° | 109.5° |
| P25 | O5' | C5' | 119.0° | 123.0° |
| O5' | C5' | C4' | 112.2° | 109.5° |
| O5' | C5' | H5'1 | 108.8° | 109.5° |
| O5' | C5' | H5'2 | 108.8° | 109.5° |
| C4' | C5' | H5'1 | 108.8° | 109.5° |
| C4' | C5' | H5'2 | 108.8° | 109.4° |
| C5' | C4' | O4' | 108.7° | 109.9° |
| C5' | C4' | C3' | 110.7° | 109.9° |
| C5' | C4' | H4' | 109.9° | 109.9° |
| H5'1 | C5' | H5'2 | 109.5° | 109.4° |
| O4' | C4' | C3' | 106.3° | 107.3° |
| O4' | C4' | H4' | 111.2° | 109.9° |
| C4' | O4' | C1' | 105.8° | 107.0° |
| C3' | C4' | H4' | 109.9° | 110.0° |
| C4' | C3' | O3' | 109.9° | 110.4° |
| C4' | C3' | C2' | 102.1° | 104.2° |
| C4' | C3' | H3' | 110.9° | 110.5° |
| O4' | C1' | C2' | 101.3° | 103.5° |
| O4' | C1' | N29 | 111.7° | 110.6° |
| O4' | C1' | H1' | 110.9° | 110.6° |
| O3' | C3' | C2' | 109.9° | 110.5° |
| O3' | C3' | H3' | 112.5° | 110.4° |
| C3' | O3' | P28 | 120.7° | 123.0° |
| C2' | C3' | H3' | 111.0° | 110.6° |
| C3' | C2' | O2' | 109.6° | 110.9° |
| C3' | C2' | C1' | 97.9° | 102.1° |
| C3' | C2' | H2' | 112.5° | 110.9° |
| O3' | P28 | O32 | 106.0° | 109.4° |
| O3' | P28 | O31 | 106.3° | 109.5° |
| O3' | P28 | O33 | 112.6° | 109.5° |
| O32 | P28 | O31 | 106.9° | 109.5° |
| O32 | P28 | O33 | 112.1° | 109.5° |
| P28 | O32 | H32 | 109.5° | 114.0° |
| O31 | P28 | O33 | 112.4° | 109.5° |
| P28 | O33 | H33 | 109.5° | 114.0° |
| O2' | C2' | C1' | 109.0° | 110.9° |
| O2' | C2' | H2' | 114.1° | 110.8° |
| C2' | O2' | HO'2 | 109.5° | 114.0° |
| C1' | C2' | H2' | 112.5° | 111.0° |
| C2' | C1' | N29 | 113.0° | 110.6° |
| C2' | C1' | H1' | 109.6° | 110.7° |
| N29 | C1' | H1' | 110.2° | 110.7° |
| C1' | N29 | C30 | 125.0° | 125.6° |
| C1' | N29 | C36 | 127.0° | 125.6° |
| C30 | N29 | C36 | 107.9° | 108.8° |
| N29 | C30 | N34 | 109.9° | 110.3° |
| N29 | C30 | H30 | 125.0° | 124.8° |
| N29 | C36 | C35 | 106.9° | 106.2° |
| N29 | C36 | N37 | 133.5° | 134.6° |
| N34 | C30 | H30 | 125.0° | 124.9° |
| C30 | N34 | C35 | 107.5° | 108.3° |
| N34 | C35 | C36 | 107.7° | 106.4° |
| N34 | C35 | C40 | 134.4° | 135.0° |
| C36 | C35 | C40 | 117.9° | 118.5° |
| C35 | C36 | N37 | 119.5° | 119.2° |
| C35 | C40 | N39 | 119.3° | 118.3° |
| C35 | C40 | N41 | 120.2° | 120.9° |
| C36 | N37 | C38 | 121.0° | 121.0° |
| N37 | C38 | N39 | 121.0° | 122.3° |
| N37 | C38 | H38 | 119.5° | 118.8° |
| N39 | C38 | H38 | 119.5° | 118.9° |
| C38 | N39 | C40 | 121.2° | 120.6° |
| C38 | N39 | H39 | 119.4° | 119.7° |
| C40 | N39 | H39 | 119.4° | 119.7° |
| N39 | C40 | N41 | 120.4° | 120.8° |
| C40 | N41 | H411 | 109.5° | 120.0° |
| C40 | N41 | H412 | 109.5° | 120.0° |
| H411 | N41 | H412 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C3 | H31 | H32A | 120.0° | 120.0° |
| C2 | C3 | H31 | H33A | 120.0° | 120.0° |
| C2 | C3 | H32A | H33A | 120.0° | 120.0° |
| C3 | C2 | C1 | H21 | 120.2° | 119.9° |
| C3 | C2 | C1 | H22A | 120.1° | 120.0° |
| C3 | C2 | H21 | H22A | 119.6° | 120.0° |
| C3 | C2 | C1 | O1 | 53.0° | 0.0° |
| C3 | C2 | C1 | S4 | 126.1° | 180.0° |
| H31 | C3 | H32A | H33A | 120.0° | 120.0° |
| H31 | C3 | C2 | C1 | 180.0° | 60.0° |
| H31 | C3 | C2 | H21 | 59.8° | 180.0° |
| H31 | C3 | C2 | H22A | 59.9° | 60.0° |
| H32A | C3 | C2 | C1 | 60.0° | 180.0° |
| H32A | C3 | C2 | H21 | 60.1° | 60.1° |
| H32A | C3 | C2 | H22A | 179.9° | 59.9° |
| H33A | C3 | C2 | C1 | 60.0° | 60.0° |
| H33A | C3 | C2 | H21 | 179.9° | 60.0° |
| H33A | C3 | C2 | H22A | 60.1° | 180.0° |
| C1 | C2 | H21 | H22A | 119.6° | 120.0° |
| C2 | C1 | O1 | S4 | 179.1° | 180.0° |
| C2 | C1 | S4 | C5 | 69.6° | 180.0° |
| H21 | C2 | C1 | O1 | 67.2° | 119.9° |
| H21 | C2 | C1 | S4 | 113.8° | 60.0° |
| H22A | C2 | C1 | O1 | 173.1° | 120.0° |
| H22A | C2 | C1 | S4 | 6.0° | 60.0° |
| O1 | C1 | S4 | C5 | 111.3° | 0.0° |
| C1 | S4 | C5 | C6 | 81.8° | 180.0° |
| C1 | S4 | C5 | H51 | 38.8° | 60.0° |
| C1 | S4 | C5 | H52 | 157.6° | 60.0° |
| S4 | C5 | C6 | H51 | 120.6° | 120.0° |
| S4 | C5 | C6 | H52 | 120.6° | 120.0° |
| S4 | C5 | H51 | H52 | 118.2° | 120.0° |
| S4 | C5 | C6 | N7 | 175.5° | 180.0° |
| S4 | C5 | C6 | H61 | 55.6° | 60.0° |
| S4 | C5 | C6 | H62 | 64.7° | 60.0° |
| C6 | C5 | H51 | H52 | 118.2° | 120.0° |
| C5 | C6 | N7 | H61 | 119.8° | 120.0° |
| C5 | C6 | N7 | H62 | 119.8° | 120.0° |
| C5 | C6 | H61 | H62 | 120.4° | 120.0° |
| C5 | C6 | N7 | C8 | 117.1° | 179.9° |
| C5 | C6 | N7 | H7 | 62.9° | 0.0° |
| H51 | C5 | C6 | N7 | 63.9° | 60.0° |
| H51 | C5 | C6 | H61 | 176.2° | 180.0° |
| H51 | C5 | C6 | H62 | 55.9° | 60.0° |
| H52 | C5 | C6 | N7 | 54.9° | 60.0° |
| H52 | C5 | C6 | H61 | 65.0° | 60.0° |
| H52 | C5 | C6 | H62 | 174.7° | 180.0° |
| N7 | C6 | H61 | H62 | 120.5° | 120.0° |
| C6 | N7 | C8 | H7 | 180.0° | 179.9° |
| C6 | N7 | C8 | O8 | 0.2° | 0.1° |
| C6 | N7 | C8 | C9 | 179.2° | 180.0° |
| H61 | C6 | N7 | C8 | 2.7° | 59.9° |
| H61 | C6 | N7 | H7 | 177.3° | 120.0° |
| H62 | C6 | N7 | C8 | 123.0° | 60.0° |
| H62 | C6 | N7 | H7 | 57.0° | 120.1° |
| N7 | C8 | O8 | C9 | 179.1° | 179.9° |
| N7 | C8 | C9 | C10 | 26.2° | 179.9° |
| N7 | C8 | C9 | H91 | 148.0° | 60.0° |
| N7 | C8 | C9 | H92 | 95.6° | 60.1° |
| H7 | N7 | C8 | O8 | 179.9° | 180.0° |
| H7 | N7 | C8 | C9 | 0.8° | 0.1° |
| O8 | C8 | C9 | C10 | 154.7° | 0.0° |
| O8 | C8 | C9 | H91 | 32.9° | 120.0° |
| O8 | C8 | C9 | H92 | 83.5° | 120.0° |
| C8 | C9 | C10 | H91 | 121.8° | 120.0° |
| C8 | C9 | C10 | H92 | 121.8° | 120.0° |
| C8 | C9 | H91 | H92 | 114.2° | 120.0° |
| C8 | C9 | C10 | N11 | 179.8° | 180.0° |
| C8 | C9 | C10 | H101 | 57.8° | 60.0° |
| C8 | C9 | C10 | H102 | 58.1° | 60.0° |
| C10 | C9 | H91 | H92 | 114.3° | 120.0° |
| C9 | C10 | N11 | H101 | 122.0° | 120.0° |
| C9 | C10 | N11 | H102 | 122.0° | 120.1° |
| C9 | C10 | H101 | H102 | 113.3° | 120.0° |
| C9 | C10 | N11 | C12 | 0.4° | 180.0° |
| C9 | C10 | N11 | H11 | 179.6° | 0.1° |
| H91 | C9 | C10 | N11 | 58.4° | 60.1° |
| H91 | C9 | C10 | H101 | 179.6° | 180.0° |
| H91 | C9 | C10 | H102 | 63.6° | 60.0° |
| H92 | C9 | C10 | N11 | 58.0° | 60.0° |
| H92 | C9 | C10 | H101 | 64.0° | 60.0° |
| H92 | C9 | C10 | H102 | 179.9° | 180.0° |
| N11 | C10 | H101 | H102 | 113.3° | 120.0° |
| C10 | N11 | C12 | H11 | 180.0° | 179.9° |
| C10 | N11 | C12 | O13 | 180.0° | 5.0° |
| C10 | N11 | C12 | C14 | 0.1° | 175.0° |
| H101 | C10 | N11 | C12 | 121.6° | 60.0° |
| H101 | C10 | N11 | H11 | 58.4° | 120.1° |
| H102 | C10 | N11 | C12 | 122.4° | 59.9° |
| H102 | C10 | N11 | H11 | 57.6° | 120.0° |
| N11 | C12 | O13 | C14 | 179.9° | 180.0° |
| N11 | C12 | C14 | O15 | 131.3° | 7.1° |
| N11 | C12 | C14 | C16 | 105.9° | 112.9° |
| N11 | C12 | C14 | H14 | 12.7° | 127.1° |
| H11 | N11 | C12 | O13 | 0.0° | 175.0° |
| H11 | N11 | C12 | C14 | 179.9° | 5.0° |
| O13 | C12 | C14 | O15 | 48.5° | 172.9° |
| O13 | C12 | C14 | C16 | 74.2° | 67.1° |
| O13 | C12 | C14 | H14 | 167.2° | 52.9° |
| C12 | C14 | O15 | C16 | 124.3° | 120.0° |
| C12 | C14 | O15 | H14 | 117.8° | 120.0° |
| C12 | C14 | C16 | H14 | 118.6° | 120.0° |
| C12 | C14 | O15 | H15 | 19.6° | 60.0° |
| C12 | C14 | C16 | C17 | 53.5° | 54.5° |
| C12 | C14 | C16 | C18 | 172.7° | 65.5° |
| C12 | C14 | C16 | C19 | 67.1° | 174.5° |
| O15 | C14 | C16 | H14 | 118.6° | 120.0° |
| O15 | C14 | C16 | C17 | 176.3° | 65.5° |
| O15 | C14 | C16 | C18 | 64.5° | 174.5° |
| O15 | C14 | C16 | C19 | 55.6° | 54.5° |
| C16 | C14 | O15 | H15 | 104.7° | 60.0° |
| C14 | C16 | C17 | C18 | 119.4° | 120.0° |
| C14 | C16 | C17 | C19 | 121.5° | 120.1° |
| C14 | C16 | C18 | C19 | 120.9° | 120.0° |
| C14 | C16 | C17 | H171 | 180.0° | 60.0° |
| C14 | C16 | C17 | H172 | 60.0° | 180.0° |
| C14 | C16 | C17 | H173 | 60.0° | 60.0° |
| C14 | C16 | C18 | H181 | 180.0° | 53.6° |
| C14 | C16 | C18 | H182 | 60.0° | 173.6° |
| C14 | C16 | C18 | H183 | 60.0° | 66.4° |
| C14 | C16 | C19 | O20 | 172.8° | 180.0° |
| C14 | C16 | C19 | H191 | 52.5° | 60.0° |
| C14 | C16 | C19 | H192 | 67.0° | 60.0° |
| H14 | C14 | O15 | H15 | 137.4° | 180.0° |
| H14 | C14 | C16 | C17 | 65.1° | 174.6° |
| H14 | C14 | C16 | C18 | 54.2° | 54.6° |
| H14 | C14 | C16 | C19 | 174.3° | 65.4° |
| C17 | C16 | C18 | C19 | 119.1° | 120.0° |
| C16 | C17 | H171 | H172 | 120.0° | 120.0° |
| C16 | C17 | H171 | H173 | 120.0° | 120.0° |
| C16 | C17 | H172 | H173 | 120.0° | 120.0° |
| C17 | C16 | C18 | H181 | 60.0° | 173.6° |
| C17 | C16 | C18 | H182 | 60.0° | 66.4° |
| C17 | C16 | C18 | H183 | 180.0° | 53.6° |
| C17 | C16 | C19 | O20 | 66.1° | 60.0° |
| C17 | C16 | C19 | H191 | 173.7° | 180.0° |
| C17 | C16 | C19 | H192 | 54.1° | 60.0° |
| C18 | C16 | C17 | H171 | 60.5° | 60.0° |
| C18 | C16 | C17 | H172 | 179.5° | 60.0° |
| C18 | C16 | C17 | H173 | 59.5° | 180.0° |
| C16 | C18 | H181 | H182 | 120.0° | 120.1° |
| C16 | C18 | H181 | H183 | 120.0° | 120.0° |
| C16 | C18 | H182 | H183 | 120.0° | 120.0° |
| C18 | C16 | C19 | O20 | 52.7° | 60.0° |
| C18 | C16 | C19 | H191 | 67.5° | 60.0° |
| C18 | C16 | C19 | H192 | 172.9° | 180.0° |
| C19 | C16 | C17 | H171 | 58.5° | 179.9° |
| C19 | C16 | C17 | H172 | 61.5° | 60.0° |
| C19 | C16 | C17 | H173 | 178.5° | 60.0° |
| C19 | C16 | C18 | H181 | 59.1° | 66.5° |
| C19 | C16 | C18 | H182 | 179.1° | 53.6° |
| C19 | C16 | C18 | H183 | 60.9° | 173.6° |
| C16 | C19 | O20 | H191 | 120.3° | 120.0° |
| C16 | C19 | O20 | H192 | 120.2° | 120.0° |
| C16 | C19 | H191 | H192 | 119.3° | 119.9° |
| C16 | C19 | O20 | P21 | 167.3° | 180.0° |
| H171 | C17 | H172 | H173 | 120.0° | 120.0° |
| H181 | C18 | H182 | H183 | 120.0° | 119.9° |
| O20 | C19 | H191 | H192 | 119.3° | 120.1° |
| C19 | O20 | P21 | O22 | 110.4° | 65.0° |
| C19 | O20 | P21 | O23 | 18.2° | 54.9° |
| C19 | O20 | P21 | O24 | 135.0° | 175.0° |
| H191 | C19 | O20 | P21 | 47.1° | 60.1° |
| H192 | C19 | O20 | P21 | 72.5° | 60.0° |
| O20 | P21 | O22 | O23 | 123.7° | 120.0° |
| O20 | P21 | O22 | O24 | 111.0° | 120.0° |
| O20 | P21 | O23 | O24 | 112.8° | 120.0° |
| O20 | P21 | O22 | H22 | 123.7° | 60.0° |
| O20 | P21 | O24 | P25 | 60.3° | 160.0° |
| O22 | P21 | O23 | O24 | 124.8° | 120.0° |
| O22 | P21 | O24 | P25 | 173.6° | 80.0° |
| O23 | P21 | O22 | H22 | 0.0° | 180.0° |
| O23 | P21 | O24 | P25 | 56.4° | 40.0° |
| O24 | P21 | O22 | H22 | 125.3° | 60.0° |
| P21 | O24 | P25 | O27 | 106.8° | 80.0° |
| P21 | O24 | P25 | O26 | 0.5° | 40.0° |
| P21 | O24 | P25 | O5' | 148.7° | 160.0° |
| O24 | P25 | O27 | O26 | 104.3° | 120.0° |
| O24 | P25 | O27 | O5' | 105.5° | 120.0° |
| O24 | P25 | O27 | H27 | 104.3° | 60.0° |
| O24 | P25 | O26 | O5' | 148.6° | 120.0° |
| O24 | P25 | O5' | C5' | 75.7° | 175.0° |
| O27 | P25 | O26 | O5' | 150.4° | 120.0° |
| O27 | P25 | O5' | C5' | 136.1° | 65.1° |
| H27 | O27 | P25 | O26 | 0.0° | 180.0° |
| H27 | O27 | P25 | O5' | 150.2° | 60.0° |
| O26 | P25 | O5' | C5' | 72.9° | 55.0° |
| P25 | O5' | C5' | C4' | 81.0° | 180.0° |
| P25 | O5' | C5' | H5'1 | 158.7° | 59.9° |
| P25 | O5' | C5' | H5'2 | 39.5° | 60.0° |
| O5' | C5' | C4' | H5'1 | 120.4° | 120.1° |
| O5' | C5' | C4' | H5'2 | 120.4° | 120.0° |
| O5' | C5' | H5'1 | H5'2 | 118.8° | 120.0° |
| O5' | C5' | C4' | O4' | 45.5° | 66.5° |
| O5' | C5' | C4' | C3' | 70.9° | 175.7° |
| O5' | C5' | C4' | H4' | 167.5° | 54.5° |
| C4' | C5' | H5'1 | H5'2 | 118.7° | 120.0° |
| C5' | C4' | O4' | C3' | 119.2° | 119.4° |
| C5' | C4' | O4' | H4' | 121.2° | 121.0° |
| C5' | C4' | C3' | H4' | 121.6° | 121.1° |
| C5' | C4' | O4' | C1' | 136.6° | 145.9° |
| C5' | C4' | C3' | O3' | 140.7° | 119.9° |
| C5' | C4' | C3' | C2' | 102.6° | 121.4° |
| C5' | C4' | C3' | H3' | 15.7° | 2.6° |
| H5'1 | C5' | C4' | O4' | 165.9° | 53.6° |
| H5'1 | C5' | C4' | C3' | 49.5° | 64.2° |
| H5'1 | C5' | C4' | H4' | 72.1° | 174.6° |
| H5'2 | C5' | C4' | O4' | 74.9° | 173.5° |
| H5'2 | C5' | C4' | C3' | 168.7° | 55.7° |
| H5'2 | C5' | C4' | H4' | 47.1° | 65.4° |
| O4' | C4' | C3' | H4' | 120.5° | 119.5° |
| O4' | C4' | C3' | O3' | 101.4° | 120.7° |
| O4' | C4' | C3' | C2' | 15.3° | 2.0° |
| O4' | C4' | C3' | H3' | 133.6° | 116.8° |
| C4' | O4' | C1' | C2' | 43.3° | 40.1° |
| C4' | O4' | C1' | N29 | 163.8° | 158.6° |
| C4' | O4' | C1' | H1' | 72.9° | 78.5° |
| C3' | C4' | O4' | C1' | 17.4° | 26.5° |
| C4' | C3' | O3' | C2' | 111.6° | 114.8° |
| C4' | C3' | O3' | H3' | 124.1° | 122.5° |
| C4' | C3' | C2' | H3' | 118.3° | 118.7° |
| C4' | C3' | O3' | P28 | 146.7° | 120.0° |
| C4' | C3' | C2' | O2' | 152.8° | 139.0° |
| C4' | C3' | C2' | C1' | 39.3° | 20.9° |
| C4' | C3' | C2' | H2' | 79.1° | 97.3° |
| H4' | C4' | O4' | C1' | 102.2° | 93.1° |
| H4' | C4' | C3' | O3' | 19.1° | 1.2° |
| H4' | C4' | C3' | C2' | 135.8° | 117.5° |
| H4' | C4' | C3' | H3' | 105.9° | 123.7° |
| O4' | C1' | C2' | C3' | 51.1° | 37.0° |
| O4' | C1' | C2' | O2' | 165.0° | 155.2° |
| O4' | C1' | C2' | N29 | 119.6° | 118.5° |
| O4' | C1' | C2' | H1' | 117.1° | 118.5° |
| O4' | C1' | C2' | H2' | 67.3° | 81.2° |
| O4' | C1' | N29 | H1' | 123.7° | 122.9° |
| O4' | C1' | N29 | C30 | 90.6° | 58.6° |
| O4' | C1' | N29 | C36 | 89.6° | 121.7° |
| O3' | C3' | C2' | H3' | 125.1° | 122.6° |
| C3' | O3' | P28 | O32 | 178.0° | 175.0° |
| C3' | O3' | P28 | O31 | 68.5° | 55.0° |
| C3' | O3' | P28 | O33 | 55.0° | 65.1° |
| O3' | C3' | C2' | O2' | 36.2° | 20.4° |
| O3' | C3' | C2' | C1' | 77.3° | 97.8° |
| O3' | C3' | C2' | H2' | 164.3° | 144.0° |
| C2' | C3' | O3' | P28 | 101.7° | 125.2° |
| C3' | C2' | O2' | C1' | 106.0° | 112.6° |
| C3' | C2' | O2' | H2' | 127.2° | 123.7° |
| C3' | C2' | C1' | H2' | 118.4° | 118.2° |
| C3' | C2' | O2' | HO'2 | 13.9° | 180.0° |
| C3' | C2' | C1' | N29 | 170.6° | 155.6° |
| C3' | C2' | C1' | H1' | 66.1° | 81.5° |
| H3' | C3' | O3' | P28 | 22.6° | 2.4° |
| H3' | C3' | C2' | O2' | 88.9° | 102.2° |
| H3' | C3' | C2' | C1' | 157.6° | 139.6° |
| H3' | C3' | C2' | H2' | 39.2° | 21.4° |
| O3' | P28 | O32 | O31 | 113.1° | 120.0° |
| O3' | P28 | O32 | O33 | 123.2° | 120.0° |
| O3' | P28 | O31 | O33 | 123.6° | 120.0° |
| O3' | P28 | O32 | H32 | 113.1° | 180.0° |
| O3' | P28 | O33 | H33 | 120.1° | 60.0° |
| O32 | P28 | O31 | O33 | 123.4° | 120.0° |
| O32 | P28 | O33 | H33 | 120.4° | 60.0° |
| O31 | P28 | O32 | H32 | 0.0° | 60.0° |
| O31 | P28 | O33 | H33 | 0.0° | 180.0° |
| O33 | P28 | O32 | H32 | 123.6° | 60.0° |
| O2' | C2' | C1' | H2' | 127.7° | 123.6° |
| O2' | C2' | C1' | N29 | 75.5° | 86.3° |
| O2' | C2' | C1' | H1' | 47.8° | 36.7° |
| C1' | C2' | O2' | HO'2 | 119.9° | 67.3° |
| C2' | C1' | N29 | H1' | 122.9° | 123.0° |
| C2' | C1' | N29 | C30 | 156.0° | 55.5° |
| C2' | C1' | N29 | C36 | 23.8° | 124.2° |
| H2' | C2' | O2' | HO'2 | 113.3° | 56.4° |
| H2' | C2' | C1' | N29 | 52.2° | 37.3° |
| H2' | C2' | C1' | H1' | 175.5° | 160.3° |
| C1' | N29 | C30 | C36 | 179.8° | 179.8° |
| C1' | N29 | C30 | N34 | 179.7° | 179.9° |
| C1' | N29 | C30 | H30 | 0.3° | 0.0° |
| C1' | N29 | C36 | C35 | 179.5° | 179.9° |
| C1' | N29 | C36 | N37 | 0.7° | 0.0° |
| H1' | C1' | N29 | C30 | 33.1° | 178.5° |
| H1' | C1' | N29 | C36 | 146.7° | 1.2° |
| N29 | C30 | N34 | H30 | 180.0° | 179.9° |
| N29 | C30 | N34 | C35 | 0.1° | 0.0° |
| C30 | N29 | C36 | C35 | 0.3° | 0.3° |
| C30 | N29 | C36 | N37 | 179.2° | 179.8° |
| C36 | N29 | C30 | N34 | 0.2° | 0.2° |
| C36 | N29 | C30 | H30 | 179.8° | 179.7° |
| N29 | C36 | C35 | N34 | 0.4° | 0.4° |
| N29 | C36 | C35 | N37 | 179.0° | 179.9° |
| N29 | C36 | C35 | C40 | 179.0° | 179.8° |
| N29 | C36 | N37 | C38 | 178.7° | 180.0° |
| C30 | N34 | C35 | C36 | 0.3° | 0.2° |
| C30 | N34 | C35 | C40 | 178.9° | 180.0° |
| H30 | C30 | N34 | C35 | 179.9° | 179.9° |
| N34 | C35 | C36 | C40 | 179.4° | 179.8° |
| N34 | C35 | C36 | N37 | 179.4° | 179.8° |
| N34 | C35 | C40 | N39 | 179.3° | 179.3° |
| N34 | C35 | C40 | N41 | 0.2° | 0.0° |
| C35 | C36 | N37 | C38 | 0.0° | 0.1° |
| C36 | C35 | C40 | N39 | 0.1° | 0.5° |
| C36 | C35 | C40 | N41 | 179.4° | 179.8° |
| C40 | C35 | C36 | N37 | 0.1° | 0.1° |
| C35 | C40 | N39 | C38 | 0.2° | 0.6° |
| C35 | C40 | N39 | N41 | 179.5° | 179.3° |
| C35 | C40 | N39 | H39 | 179.8° | 179.8° |
| C35 | C40 | N41 | H411 | 180.0° | 0.0° |
| C35 | C40 | N41 | H412 | 60.0° | 180.0° |
| C36 | N37 | C38 | N39 | 0.0° | 0.0° |
| C36 | N37 | C38 | H38 | 180.0° | 179.9° |
| N37 | C38 | N39 | H38 | 180.0° | 179.9° |
| N37 | C38 | N39 | C40 | 0.1° | 0.4° |
| N37 | C38 | N39 | H39 | 179.9° | 180.0° |
| C38 | N39 | C40 | H39 | 180.0° | 179.6° |
| C38 | N39 | C40 | N41 | 179.3° | 180.0° |
| H38 | C38 | N39 | C40 | 179.9° | 179.7° |
| H38 | C38 | N39 | H39 | 0.1° | 0.1° |
| N39 | C40 | N41 | H411 | 0.5° | 179.3° |
| N39 | C40 | N41 | H412 | 119.5° | 0.7° |
| H39 | N39 | C40 | N41 | 0.7° | 0.5° |
| C40 | N41 | H411 | H412 | 120.0° | 179.9° |
