J1I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C17 | sing | 1.37Å | 1.43Å | |
| C | C21 | sing | 1.53Å | 1.53Å | |
| O | C23 | doub | 1.22Å | 1.23Å | |
| P01 | OP3 | sing | 1.61Å | 1.51Å | |
| P01 | OP2 | sing | 1.61Å | 1.62Å | |
| P01 | OP1 | doub | 1.48Å | 1.51Å | |
| P01 | C15 | sing | 1.82Å | 1.84Å | |
| C01 | N01 | doub | 1.32Å | 1.38Å | Aromatic |
| C01 | N02 | sing | 1.32Å | 1.35Å | Aromatic |
| N01 | C04 | sing | 1.33Å | 1.36Å | Aromatic |
| O01 | C08 | sing | 1.44Å | 1.39Å | |
| O01 | C09 | sing | 1.44Å | 1.42Å | |
| N02 | C02 | doub | 1.33Å | 1.37Å | Aromatic |
| O02 | C07 | sing | 1.43Å | 1.38Å | |
| C03 | C04 | doub | 1.41Å | 1.40Å | Aromatic |
| C03 | N04 | sing | 1.35Å | 1.40Å | Aromatic |
| C03 | C02 | sing | 1.40Å | 1.42Å | Aromatic |
| N03 | C05 | sing | 1.36Å | 1.41Å | Aromatic |
| N03 | C08 | sing | 1.47Å | 1.45Å | |
| N03 | C02 | sing | 1.37Å | 1.40Å | Aromatic |
| O03 | C06 | sing | 1.43Å | 1.39Å | |
| C04 | N05 | sing | 1.38Å | 1.38Å | |
| N04 | C05 | doub | 1.30Å | 1.33Å | Aromatic |
| C06 | C07 | sing | 1.55Å | 1.54Å | |
| C06 | C09 | sing | 1.54Å | 1.56Å | |
| N06 | C12 | sing | 1.47Å | 1.50Å | |
| N06 | C13 | sing | 1.47Å | 1.50Å | |
| N06 | C15 | sing | 1.47Å | 1.48Å | |
| C07 | C08 | sing | 1.55Å | 1.56Å | |
| N07 | C14 | sing | 1.46Å | 1.47Å | |
| N07 | C23 | sing | 1.35Å | 1.37Å | |
| O07 | C20 | doub | 1.22Å | 1.24Å | |
| N08 | C17 | sing | 1.36Å | 1.39Å | |
| N08 | C20 | sing | 1.35Å | 1.41Å | |
| C09 | C10 | sing | 1.53Å | 1.53Å | |
| N09 | C17 | doub | 1.32Å | 1.32Å | |
| N09 | C18 | sing | 1.33Å | 1.40Å | |
| C10 | S | sing | 1.81Å | 1.81Å | |
| N10 | C18 | sing | 1.38Å | 1.39Å | |
| N10 | C21 | sing | 1.47Å | 1.49Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | S | sing | 1.81Å | 1.82Å | |
| N11 | C19 | sing | 1.34Å | 1.39Å | |
| N11 | C22 | doub | 1.30Å | 1.47Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C18 | C19 | doub | 1.41Å | 1.38Å | |
| C19 | C20 | sing | 1.42Å | 1.45Å | |
| C21 | C22 | sing | 1.51Å | 1.55Å | |
| C21 | C24 | sing | 1.53Å | 1.55Å | |
| C22 | C23 | sing | 1.46Å | 1.55Å | |
| N | HN2 | sing | 0.97Å | 1.00Å | |
| N | HN3 | sing | 0.97Å | 1.00Å | |
| C | HC3 | sing | 1.09Å | 1.10Å | |
| C | HC1 | sing | 1.09Å | 1.10Å | |
| C | HC2 | sing | 1.09Å | 1.10Å | |
| C01 | H02 | sing | 1.08Å | 1.08Å | |
| OP3 | H1 | sing | 0.97Å | 0.95Å | |
| O02 | H021 | sing | 0.97Å | 0.95Å | |
| OP2 | HP2 | sing | 0.97Å | 0.95Å | |
| O03 | H031 | sing | 0.97Å | 0.95Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| N05 | H053 | sing | 0.97Å | 1.00Å | |
| N05 | H052 | sing | 0.97Å | 1.00Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| N07 | H072 | sing | 0.97Å | 1.00Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| N08 | H01 | sing | 0.97Å | 1.00Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| N10 | H103 | sing | 0.97Å | 1.00Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C24 | H243 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | C17 | N08 | 114.8° | 119.0° |
| N | C17 | N09 | 119.1° | 119.0° |
| C17 | N | HN2 | 120.0° | 120.0° |
| C17 | N | HN3 | 120.0° | 120.0° |
| C | C21 | N10 | 110.1° | 109.5° |
| C | C21 | C22 | 110.5° | 109.5° |
| C | C21 | C24 | 113.6° | 109.6° |
| C21 | C | HC3 | 109.5° | 109.5° |
| C21 | C | HC1 | 109.4° | 109.5° |
| C21 | C | HC2 | 109.5° | 109.5° |
| O | C23 | N07 | 123.0° | 120.0° |
| O | C23 | C22 | 118.0° | 119.9° |
| OP3 | P01 | OP2 | 103.7° | 109.4° |
| OP3 | P01 | OP1 | 119.6° | 109.4° |
| OP3 | P01 | C15 | 111.4° | 109.5° |
| P01 | OP3 | H1 | 109.5° | 114.0° |
| OP2 | P01 | OP1 | 101.7° | 109.5° |
| OP2 | P01 | C15 | 99.5° | 109.5° |
| P01 | OP2 | HP2 | 109.5° | 114.0° |
| OP1 | P01 | C15 | 117.0° | 109.5° |
| P01 | C15 | N06 | 112.6° | 109.5° |
| P01 | C15 | H152 | 108.7° | 109.4° |
| P01 | C15 | H151 | 108.7° | 109.5° |
| N01 | C01 | N02 | 129.9° | 122.5° |
| C01 | N01 | C04 | 115.8° | 121.2° |
| N01 | C01 | H02 | 115.1° | 118.8° |
| C01 | N02 | C02 | 111.9° | 120.6° |
| N02 | C01 | H02 | 115.0° | 118.7° |
| N01 | C04 | C03 | 120.3° | 118.5° |
| N01 | C04 | N05 | 122.5° | 120.7° |
| C08 | O01 | C09 | 108.0° | 107.0° |
| O01 | C08 | N03 | 108.1° | 110.6° |
| O01 | C08 | C07 | 108.2° | 103.5° |
| O01 | C08 | H081 | 110.4° | 110.6° |
| O01 | C09 | C06 | 107.2° | 107.3° |
| O01 | C09 | C10 | 108.6° | 109.9° |
| O01 | C09 | H091 | 110.5° | 109.8° |
| N02 | C02 | C03 | 123.9° | 119.1° |
| N02 | C02 | N03 | 131.7° | 134.9° |
| O02 | C07 | C06 | 115.2° | 110.9° |
| O02 | C07 | C08 | 110.2° | 110.9° |
| C07 | O02 | H021 | 109.5° | 114.0° |
| O02 | C07 | H071 | 111.1° | 110.8° |
| C04 | C03 | N04 | 130.2° | 134.7° |
| C04 | C03 | C02 | 118.1° | 118.2° |
| C03 | C04 | N05 | 117.2° | 120.8° |
| N04 | C03 | C02 | 111.7° | 107.1° |
| C03 | N04 | C05 | 104.3° | 109.4° |
| C03 | C02 | N03 | 104.4° | 106.0° |
| C05 | N03 | C08 | 124.1° | 126.3° |
| C05 | N03 | C02 | 106.6° | 107.4° |
| N03 | C05 | N04 | 113.0° | 110.0° |
| N03 | C05 | H051 | 123.5° | 125.0° |
| C08 | N03 | C02 | 129.3° | 126.3° |
| N03 | C08 | C07 | 112.6° | 110.6° |
| N03 | C08 | H081 | 109.5° | 110.5° |
| O03 | C06 | C07 | 105.8° | 110.5° |
| O03 | C06 | C09 | 112.0° | 110.5° |
| C06 | O03 | H031 | 109.5° | 114.0° |
| O03 | C06 | H061 | 113.0° | 110.4° |
| C04 | N05 | H053 | 109.5° | 120.0° |
| C04 | N05 | H052 | 109.5° | 120.0° |
| N04 | C05 | H051 | 123.5° | 125.0° |
| C07 | C06 | C09 | 104.5° | 104.2° |
| C06 | C07 | C08 | 102.6° | 102.1° |
| C07 | C06 | H061 | 110.7° | 110.5° |
| C06 | C07 | H071 | 108.7° | 110.9° |
| C06 | C09 | C10 | 113.1° | 109.9° |
| C09 | C06 | H061 | 110.4° | 110.6° |
| C06 | C09 | H091 | 108.5° | 109.9° |
| C12 | N06 | C13 | 112.1° | 111.0° |
| C12 | N06 | C15 | 109.3° | 111.0° |
| N06 | C12 | C11 | 105.9° | 109.5° |
| N06 | C12 | H122 | 110.4° | 109.5° |
| N06 | C12 | H121 | 110.3° | 109.5° |
| C13 | N06 | C15 | 115.2° | 111.0° |
| N06 | C13 | C14 | 107.8° | 109.5° |
| N06 | C13 | H132 | 109.9° | 109.5° |
| N06 | C13 | H131 | 109.9° | 109.5° |
| N06 | C15 | H152 | 108.7° | 109.5° |
| N06 | C15 | H151 | 108.7° | 109.5° |
| C08 | C07 | H071 | 108.5° | 111.0° |
| C07 | C08 | H081 | 108.1° | 110.8° |
| C14 | N07 | C23 | 123.0° | 120.0° |
| N07 | C14 | C13 | 108.9° | 109.5° |
| C14 | N07 | H072 | 118.5° | 120.0° |
| N07 | C14 | H142 | 109.6° | 109.5° |
| N07 | C14 | H141 | 109.6° | 109.5° |
| N07 | C23 | C22 | 119.0° | 120.1° |
| C23 | N07 | H072 | 118.5° | 120.0° |
| O07 | C20 | N08 | 116.6° | 120.9° |
| O07 | C20 | C19 | 128.2° | 120.9° |
| C17 | N08 | C20 | 119.1° | 120.5° |
| N08 | C17 | N09 | 126.1° | 122.0° |
| C17 | N08 | H01 | 120.5° | 119.7° |
| N08 | C20 | C19 | 115.3° | 118.3° |
| C20 | N08 | H01 | 120.5° | 119.8° |
| C09 | C10 | S | 104.8° | 109.5° |
| C10 | C09 | H091 | 108.9° | 110.0° |
| C09 | C10 | H102 | 110.6° | 109.5° |
| C09 | C10 | H101 | 110.6° | 109.4° |
| C17 | N09 | C18 | 116.8° | 121.1° |
| N09 | C18 | N10 | 116.1° | 121.7° |
| N09 | C18 | C19 | 121.2° | 119.9° |
| C10 | S | C11 | 108.2° | 103.0° |
| S | C10 | H102 | 110.6° | 109.5° |
| S | C10 | H101 | 110.6° | 109.5° |
| C18 | N10 | C21 | 118.9° | 117.3° |
| N10 | C18 | C19 | 122.7° | 118.4° |
| C18 | N10 | H103 | 107.0° | 121.3° |
| N10 | C21 | C22 | 105.2° | 109.0° |
| N10 | C21 | C24 | 104.1° | 109.6° |
| C21 | N10 | H103 | 107.1° | 121.4° |
| C12 | C11 | S | 115.3° | 109.5° |
| C12 | C11 | H112 | 108.0° | 109.5° |
| C12 | C11 | H111 | 108.0° | 109.5° |
| C11 | C12 | H122 | 110.4° | 109.5° |
| C11 | C12 | H121 | 110.4° | 109.4° |
| S | C11 | H112 | 108.0° | 109.5° |
| S | C11 | H111 | 108.0° | 109.5° |
| C19 | N11 | C22 | 113.6° | 121.9° |
| N11 | C19 | C18 | 118.8° | 120.3° |
| N11 | C19 | C20 | 119.7° | 121.5° |
| N11 | C22 | C21 | 108.0° | 121.3° |
| N11 | C22 | C23 | 111.2° | 119.3° |
| C14 | C13 | H132 | 109.9° | 109.4° |
| C14 | C13 | H131 | 109.9° | 109.4° |
| C13 | C14 | H142 | 109.6° | 109.5° |
| C13 | C14 | H141 | 109.6° | 109.5° |
| C18 | C19 | C20 | 121.5° | 118.3° |
| C22 | C21 | C24 | 112.9° | 109.6° |
| C21 | C22 | C23 | 116.1° | 119.4° |
| C21 | C24 | H243 | 109.5° | 109.5° |
| C21 | C24 | H241 | 109.5° | 109.5° |
| C21 | C24 | H242 | 109.5° | 109.5° |
| HN2 | N | HN3 | 120.0° | 120.0° |
| HC3 | C | HC1 | 109.4° | 109.5° |
| HC3 | C | HC2 | 109.5° | 109.5° |
| HC1 | C | HC2 | 109.5° | 109.5° |
| H053 | N05 | H052 | 109.5° | 120.0° |
| H102 | C10 | H101 | 109.5° | 109.4° |
| H112 | C11 | H111 | 109.5° | 109.4° |
| H122 | C12 | H121 | 109.5° | 109.4° |
| H132 | C13 | H131 | 109.5° | 109.5° |
| H142 | C14 | H141 | 109.5° | 109.4° |
| H152 | C15 | H151 | 109.4° | 109.4° |
| H243 | C24 | H241 | 109.5° | 109.5° |
| H243 | C24 | H242 | 109.4° | 109.4° |
| H241 | C24 | H242 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C17 | N08 | N09 | 179.8° | 180.0° |
| N | C17 | N08 | C20 | 180.0° | 179.5° |
| N | C17 | N09 | C18 | 179.9° | 179.8° |
| C17 | N | HN2 | HN3 | 180.0° | 179.7° |
| N | C17 | N08 | H01 | 0.0° | 0.2° |
| C | C21 | N10 | C18 | 82.1° | 80.3° |
| C | C21 | N10 | C22 | 119.0° | 119.8° |
| C | C21 | N10 | C24 | 122.1° | 120.2° |
| C | C21 | C22 | N11 | 57.4° | 92.3° |
| C | C21 | C22 | C24 | 128.4° | 120.3° |
| C | C21 | C22 | C23 | 68.2° | 87.7° |
| C21 | C | HC3 | HC1 | 120.0° | 120.0° |
| C21 | C | HC3 | HC2 | 120.0° | 120.0° |
| C21 | C | HC1 | HC2 | 120.0° | 120.0° |
| C | C21 | N10 | H103 | 156.6° | 99.7° |
| C | C21 | C24 | H243 | 180.0° | 49.6° |
| C | C21 | C24 | H241 | 60.0° | 169.6° |
| C | C21 | C24 | H242 | 60.0° | 70.4° |
| O | C23 | N07 | C14 | 1.1° | 0.0° |
| O | C23 | N07 | C22 | 177.5° | 180.0° |
| O | C23 | C22 | N11 | 174.7° | 173.4° |
| O | C23 | C22 | C21 | 61.4° | 6.6° |
| O | C23 | N07 | H072 | 178.8° | 180.0° |
| OP3 | P01 | OP2 | OP1 | 124.8° | 120.0° |
| OP3 | P01 | OP2 | C15 | 114.9° | 120.0° |
| OP3 | P01 | OP1 | C15 | 139.6° | 120.0° |
| OP3 | P01 | C15 | N06 | 162.7° | 179.1° |
| OP3 | P01 | OP2 | HP2 | 124.7° | 64.9° |
| OP3 | P01 | C15 | H152 | 76.8° | 59.2° |
| OP3 | P01 | C15 | H151 | 42.3° | 60.8° |
| OP2 | P01 | OP1 | C15 | 107.1° | 120.0° |
| OP2 | P01 | C15 | N06 | 88.4° | 60.9° |
| OP2 | P01 | OP3 | H1 | 112.2° | 60.0° |
| OP2 | P01 | C15 | H152 | 32.1° | 179.1° |
| OP2 | P01 | C15 | H151 | 151.1° | 59.2° |
| OP1 | P01 | C15 | N06 | 20.0° | 59.1° |
| OP1 | P01 | OP3 | H1 | 0.0° | 60.0° |
| OP1 | P01 | OP2 | HP2 | 0.0° | 175.2° |
| OP1 | P01 | C15 | H152 | 140.5° | 60.8° |
| OP1 | P01 | C15 | H151 | 100.5° | 179.2° |
| P01 | C15 | N06 | C12 | 62.0° | 108.2° |
| P01 | C15 | N06 | C13 | 65.3° | 127.9° |
| P01 | C15 | N06 | H152 | 120.5° | 119.9° |
| P01 | C15 | N06 | H151 | 120.5° | 120.1° |
| C15 | P01 | OP3 | H1 | 141.7° | 180.0° |
| C15 | P01 | OP2 | HP2 | 120.3° | 55.1° |
| P01 | C15 | H152 | H151 | 118.6° | 120.0° |
| N01 | C01 | N02 | H02 | 180.0° | 179.7° |
| N01 | C01 | N02 | C02 | 0.1° | 0.0° |
| C01 | N01 | C04 | C03 | 0.2° | 0.1° |
| C01 | N01 | C04 | N05 | 179.5° | 180.0° |
| N02 | C01 | N01 | C04 | 0.0° | 0.1° |
| C01 | N02 | C02 | C03 | 0.1° | 0.0° |
| C01 | N02 | C02 | N03 | 179.7° | 180.0° |
| N01 | C04 | C03 | N05 | 179.8° | 179.9° |
| N01 | C04 | C03 | N04 | 179.8° | 180.0° |
| N01 | C04 | C03 | C02 | 0.3° | 0.0° |
| C04 | N01 | C01 | H02 | 180.0° | 179.7° |
| N01 | C04 | N05 | H053 | 0.0° | 0.0° |
| N01 | C04 | N05 | H052 | 120.0° | 180.0° |
| O01 | C08 | C07 | O02 | 144.7° | 155.2° |
| O01 | C08 | N03 | C05 | 116.5° | 23.6° |
| O01 | C08 | N03 | C07 | 119.5° | 114.1° |
| O01 | C08 | N03 | H081 | 120.2° | 122.8° |
| O01 | C08 | N03 | C02 | 62.7° | 156.5° |
| O01 | C08 | C07 | C06 | 21.6° | 37.0° |
| C08 | O01 | C09 | C06 | 28.9° | 26.5° |
| O01 | C08 | C07 | H081 | 119.6° | 118.6° |
| C08 | O01 | C09 | C10 | 151.5° | 146.0° |
| O01 | C08 | C07 | H071 | 93.4° | 81.2° |
| C08 | O01 | C09 | H091 | 89.1° | 92.9° |
| C09 | O01 | C08 | N03 | 154.2° | 158.6° |
| O01 | C09 | C06 | O03 | 128.3° | 120.7° |
| O01 | C09 | C06 | C07 | 14.2° | 2.0° |
| O01 | C09 | C06 | C10 | 119.7° | 119.5° |
| O01 | C09 | C06 | H091 | 119.3° | 119.4° |
| C09 | O01 | C08 | C07 | 32.1° | 40.1° |
| O01 | C09 | C10 | H091 | 120.4° | 121.0° |
| O01 | C09 | C10 | S | 45.0° | 66.4° |
| O01 | C09 | C06 | H061 | 104.9° | 116.7° |
| C09 | O01 | C08 | H081 | 86.1° | 78.7° |
| O01 | C09 | C10 | H102 | 74.2° | 173.5° |
| O01 | C09 | C10 | H101 | 164.3° | 53.6° |
| N02 | C02 | C03 | C04 | 0.1° | 0.0° |
| N02 | C02 | C03 | N04 | 179.9° | 179.9° |
| N02 | C02 | C03 | N03 | 179.8° | 180.0° |
| N02 | C02 | N03 | C05 | 179.9° | 179.9° |
| N02 | C02 | N03 | C08 | 0.6° | 0.0° |
| C02 | N02 | C01 | H02 | 179.9° | 179.7° |
| O02 | C07 | C08 | N03 | 95.9° | 86.3° |
| O02 | C07 | C06 | O03 | 5.4° | 20.4° |
| O02 | C07 | C06 | C08 | 119.8° | 118.2° |
| O02 | C07 | C06 | H071 | 125.4° | 123.6° |
| O02 | C07 | C06 | C09 | 123.8° | 139.1° |
| O02 | C07 | C08 | H071 | 121.8° | 123.6° |
| O02 | C07 | C06 | H061 | 117.3° | 102.1° |
| O02 | C07 | C08 | H081 | 25.2° | 36.6° |
| C04 | C03 | N04 | C02 | 180.0° | 179.9° |
| C04 | C03 | C02 | N03 | 179.9° | 180.0° |
| C04 | C03 | N04 | C05 | 180.0° | 179.9° |
| C03 | C04 | N05 | H053 | 179.8° | 180.0° |
| C03 | C04 | N05 | H052 | 59.7° | 0.0° |
| C03 | N04 | C05 | N03 | 0.0° | 0.0° |
| N04 | C03 | C02 | N03 | 0.1° | 0.0° |
| N04 | C03 | C04 | N05 | 0.4° | 0.1° |
| C03 | N04 | C05 | H051 | 180.0° | 180.0° |
| C03 | C02 | N03 | C05 | 0.1° | 0.0° |
| C03 | C02 | N03 | C08 | 179.2° | 180.0° |
| C02 | C03 | C04 | N05 | 179.5° | 180.0° |
| C02 | C03 | N04 | C05 | 0.0° | 0.0° |
| C05 | N03 | C08 | C02 | 179.2° | 179.9° |
| N03 | C05 | N04 | H051 | 180.0° | 180.0° |
| C05 | N03 | C08 | C07 | 124.1° | 90.5° |
| C05 | N03 | C08 | H081 | 3.8° | 146.4° |
| C08 | N03 | C05 | N04 | 179.3° | 180.0° |
| N03 | C08 | C07 | C06 | 140.9° | 155.5° |
| N03 | C08 | C07 | H081 | 121.1° | 122.9° |
| C08 | N03 | C05 | H051 | 0.7° | 0.0° |
| N03 | C08 | C07 | H071 | 25.9° | 37.3° |
| C02 | N03 | C05 | N04 | 0.1° | 0.0° |
| C02 | N03 | C08 | C07 | 56.7° | 89.4° |
| C02 | N03 | C05 | H051 | 179.9° | 180.0° |
| C02 | N03 | C08 | H081 | 177.0° | 33.6° |
| O03 | C06 | C07 | C09 | 118.4° | 118.7° |
| O03 | C06 | C07 | H061 | 122.7° | 122.5° |
| O03 | C06 | C09 | H061 | 126.9° | 122.6° |
| O03 | C06 | C07 | C08 | 114.4° | 97.8° |
| O03 | C06 | C09 | C10 | 112.0° | 119.9° |
| O03 | C06 | C07 | H071 | 130.7° | 144.0° |
| O03 | C06 | C09 | H091 | 8.9° | 1.3° |
| C04 | N05 | H053 | H052 | 120.0° | 180.0° |
| C07 | C06 | C09 | H061 | 119.0° | 118.7° |
| C06 | C07 | C08 | H071 | 115.0° | 118.2° |
| C07 | C06 | C09 | C10 | 133.9° | 121.5° |
| C06 | C07 | O02 | H021 | 180.0° | 61.4° |
| C07 | C06 | O03 | H031 | 180.0° | 61.4° |
| C06 | C07 | C08 | H081 | 98.0° | 81.6° |
| C07 | C06 | C09 | H091 | 105.2° | 117.4° |
| C09 | C06 | C07 | C08 | 4.0° | 20.9° |
| C06 | C09 | C10 | H091 | 120.7° | 121.1° |
| C06 | C09 | C10 | S | 73.9° | 175.7° |
| C09 | C06 | O03 | H031 | 66.7° | 176.2° |
| C09 | C06 | C07 | H071 | 110.9° | 97.4° |
| C06 | C09 | C10 | H102 | 166.9° | 55.6° |
| C06 | C09 | C10 | H101 | 45.4° | 64.3° |
| C12 | N06 | C13 | C15 | 125.9° | 123.9° |
| N06 | C12 | C11 | H122 | 119.4° | 120.1° |
| N06 | C12 | C11 | H121 | 119.4° | 120.0° |
| N06 | C12 | C11 | S | 140.4° | 180.0° |
| C12 | N06 | C13 | C14 | 158.4° | 164.4° |
| N06 | C12 | C11 | H112 | 98.8° | 60.0° |
| N06 | C12 | C11 | H111 | 19.5° | 60.0° |
| N06 | C12 | H122 | H121 | 121.6° | 120.0° |
| C12 | N06 | C13 | H132 | 38.7° | 44.4° |
| C12 | N06 | C13 | H131 | 81.8° | 75.6° |
| C12 | N06 | C15 | H152 | 177.5° | 11.8° |
| C12 | N06 | C15 | H151 | 58.5° | 131.8° |
| N06 | C13 | C14 | N07 | 145.6° | 175.5° |
| C13 | N06 | C12 | C11 | 99.0° | 170.0° |
| N06 | C13 | C14 | H132 | 119.8° | 120.0° |
| N06 | C13 | C14 | H131 | 119.8° | 120.0° |
| C13 | N06 | C12 | H122 | 141.5° | 70.0° |
| C13 | N06 | C12 | H121 | 20.4° | 50.0° |
| N06 | C13 | H132 | H131 | 120.8° | 120.1° |
| N06 | C13 | C14 | H142 | 94.5° | 64.5° |
| N06 | C13 | C14 | H141 | 25.6° | 55.4° |
| C13 | N06 | C15 | H152 | 55.2° | 112.1° |
| C13 | N06 | C15 | H151 | 174.2° | 7.9° |
| C15 | N06 | C12 | C11 | 131.9° | 66.1° |
| C15 | N06 | C13 | C14 | 75.7° | 71.7° |
| C15 | N06 | C12 | H122 | 12.5° | 53.9° |
| C15 | N06 | C12 | H121 | 108.6° | 173.9° |
| C15 | N06 | C13 | H132 | 164.6° | 168.4° |
| C15 | N06 | C13 | H131 | 44.1° | 48.3° |
| N06 | C15 | H152 | H151 | 118.6° | 120.0° |
| C08 | C07 | O02 | H021 | 64.5° | 174.1° |
| C08 | C07 | C06 | H061 | 122.9° | 139.7° |
| C14 | N07 | C23 | H072 | 180.0° | 180.0° |
| N07 | C14 | C13 | H142 | 119.9° | 120.0° |
| N07 | C14 | C13 | H141 | 119.9° | 120.0° |
| C14 | N07 | C23 | C22 | 178.6° | 180.0° |
| N07 | C14 | C13 | H132 | 94.7° | 64.5° |
| N07 | C14 | C13 | H131 | 25.8° | 55.5° |
| N07 | C14 | H142 | H141 | 120.3° | 120.0° |
| N07 | C23 | C22 | N11 | 3.0° | 6.5° |
| C23 | N07 | C14 | C13 | 146.5° | 180.0° |
| N07 | C23 | C22 | C21 | 121.0° | 173.4° |
| C23 | N07 | C14 | H142 | 93.6° | 60.0° |
| C23 | N07 | C14 | H141 | 26.5° | 60.0° |
| O07 | C20 | N08 | C17 | 179.7° | 179.8° |
| O07 | C20 | N08 | C19 | 179.6° | 180.0° |
| O07 | C20 | C19 | N11 | 0.6° | 1.1° |
| O07 | C20 | C19 | C18 | 179.7° | 179.1° |
| O07 | C20 | N08 | H01 | 0.3° | 0.5° |
| C17 | N08 | C20 | H01 | 180.0° | 179.7° |
| N08 | C17 | N09 | C18 | 0.2° | 0.2° |
| C17 | N08 | C20 | C19 | 0.0° | 0.1° |
| N08 | C17 | N | HN2 | 179.8° | 0.0° |
| N08 | C17 | N | HN3 | 0.1° | 179.7° |
| C20 | N08 | C17 | N09 | 0.2° | 0.4° |
| N08 | C20 | C19 | N11 | 179.8° | 178.9° |
| N08 | C20 | C19 | C18 | 0.2° | 0.9° |
| C09 | C10 | S | H102 | 119.3° | 120.0° |
| C09 | C10 | S | H101 | 119.2° | 120.0° |
| C09 | C10 | S | C11 | 151.1° | 180.0° |
| C10 | C09 | C06 | H061 | 14.9° | 2.8° |
| C09 | C10 | H102 | H101 | 122.2° | 119.9° |
| C17 | N09 | C18 | N10 | 179.7° | 179.3° |
| C17 | N09 | C18 | C19 | 0.1° | 0.5° |
| N09 | C17 | N | HN2 | 0.0° | 180.0° |
| N09 | C17 | N | HN3 | 180.0° | 0.3° |
| N09 | C17 | N08 | H01 | 179.8° | 179.8° |
| N09 | C18 | N10 | C19 | 179.8° | 179.8° |
| N09 | C18 | N10 | C21 | 173.1° | 151.4° |
| N09 | C18 | C19 | N11 | 179.8° | 178.7° |
| N09 | C18 | C19 | C20 | 0.1° | 1.1° |
| N09 | C18 | N10 | H103 | 65.5° | 28.6° |
| C10 | S | C11 | C12 | 87.0° | 180.0° |
| S | C10 | C09 | H091 | 165.4° | 54.6° |
| S | C10 | H102 | H101 | 122.2° | 120.0° |
| C10 | S | C11 | H112 | 152.1° | 60.0° |
| C10 | S | C11 | H111 | 33.9° | 59.9° |
| C18 | N10 | C21 | H103 | 121.3° | 180.0° |
| N10 | C18 | C19 | N11 | 0.5° | 1.5° |
| N10 | C18 | C19 | C20 | 179.9° | 178.7° |
| C18 | N10 | C21 | C22 | 36.9° | 39.5° |
| C18 | N10 | C21 | C24 | 155.8° | 159.5° |
| N10 | C21 | C22 | N11 | 61.3° | 27.5° |
| C21 | N10 | C18 | C19 | 6.7° | 28.8° |
| N10 | C21 | C22 | C24 | 112.8° | 119.9° |
| N10 | C21 | C22 | C23 | 173.1° | 152.4° |
| N10 | C21 | C | HC3 | 180.0° | 60.0° |
| N10 | C21 | C | HC1 | 60.0° | 180.0° |
| N10 | C21 | C | HC2 | 60.0° | 60.0° |
| N10 | C21 | C24 | H243 | 60.3° | 169.8° |
| N10 | C21 | C24 | H241 | 59.7° | 70.2° |
| N10 | C21 | C24 | H242 | 179.7° | 49.8° |
| C12 | C11 | S | H112 | 120.9° | 120.0° |
| C12 | C11 | S | H111 | 120.9° | 120.1° |
| C12 | C11 | H112 | H111 | 117.4° | 120.0° |
| C11 | C12 | H122 | H121 | 121.7° | 120.0° |
| C11 | S | C10 | H102 | 31.8° | 60.0° |
| C11 | S | C10 | H101 | 89.7° | 60.0° |
| S | C11 | H112 | H111 | 117.3° | 119.9° |
| S | C11 | C12 | H122 | 20.9° | 60.0° |
| S | C11 | C12 | H121 | 100.2° | 60.0° |
| N11 | C19 | C18 | C20 | 179.7° | 179.8° |
| C19 | N11 | C22 | C21 | 59.0° | 2.9° |
| C19 | N11 | C22 | C23 | 172.6° | 177.1° |
| C22 | N11 | C19 | C18 | 27.2° | 11.9° |
| C22 | N11 | C19 | C20 | 152.5° | 167.9° |
| N11 | C22 | C21 | C23 | 125.6° | 179.9° |
| N11 | C22 | C21 | C24 | 174.1° | 147.4° |
| C13 | C14 | N07 | H072 | 33.6° | 0.0° |
| C14 | C13 | H132 | H131 | 120.7° | 120.0° |
| C13 | C14 | H142 | H141 | 120.2° | 120.0° |
| C19 | C18 | N10 | H103 | 114.7° | 151.2° |
| C19 | C20 | N08 | H01 | 180.0° | 179.6° |
| C22 | C21 | C | HC3 | 64.3° | 59.5° |
| C22 | C21 | C | HC1 | 175.7° | 60.5° |
| C22 | C21 | C | HC2 | 55.7° | 179.5° |
| C22 | C21 | N10 | H103 | 84.4° | 140.5° |
| C22 | C21 | C24 | H243 | 53.2° | 70.7° |
| C22 | C21 | C24 | H241 | 173.2° | 49.3° |
| C22 | C21 | C24 | H242 | 66.8° | 169.4° |
| C24 | C21 | C22 | C23 | 60.3° | 32.5° |
| C24 | C21 | C | HC3 | 63.7° | 179.8° |
| C24 | C21 | C | HC1 | 56.2° | 59.8° |
| C24 | C21 | C | HC2 | 176.2° | 60.2° |
| C24 | C21 | N10 | H103 | 34.5° | 20.5° |
| C21 | C24 | H243 | H241 | 120.0° | 120.0° |
| C21 | C24 | H243 | H242 | 120.0° | 120.0° |
| C21 | C24 | H241 | H242 | 120.0° | 120.0° |
| C22 | C23 | N07 | H072 | 1.3° | 0.0° |
| HC3 | C | HC1 | HC2 | 120.0° | 120.0° |
| H021 | O02 | C07 | H071 | 55.9° | 62.2° |
| H031 | O03 | C06 | H061 | 58.8° | 61.1° |
| H061 | C06 | C07 | H071 | 8.0° | 21.4° |
| H061 | C06 | C09 | H091 | 135.8° | 123.9° |
| H071 | C07 | C08 | H081 | 147.0° | 160.2° |
| H072 | N07 | C14 | H142 | 86.3° | 120.0° |
| H072 | N07 | C14 | H141 | 153.5° | 120.0° |
| H091 | C09 | C10 | H102 | 46.1° | 65.5° |
| H091 | C09 | C10 | H101 | 75.4° | 174.6° |
| H112 | C11 | C12 | H122 | 141.8° | 180.0° |
| H112 | C11 | C12 | H121 | 20.6° | 60.0° |
| H111 | C11 | C12 | H122 | 99.9° | 60.1° |
| H111 | C11 | C12 | H121 | 138.9° | 180.0° |
| H132 | C13 | C14 | H142 | 25.3° | 55.5° |
| H132 | C13 | C14 | H141 | 145.4° | 175.4° |
| H131 | C13 | C14 | H142 | 145.7° | 175.5° |
| H131 | C13 | C14 | H141 | 94.1° | 64.6° |
| H243 | C24 | H241 | H242 | 119.9° | 119.9° |
