N0J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL24 | C23 | sing | 1.74Å | 1.75Å | |
| C23 | C25 | doub | 1.38Å | 1.37Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | C21 | doub | 1.39Å | 1.38Å | Aromatic |
| C28 | O29 | sing | 1.43Å | 1.45Å | |
| C28 | C17 | sing | 1.54Å | 1.53Å | |
| C26 | C27 | doub | 1.39Å | 1.41Å | Aromatic |
| C21 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.51Å | 1.49Å | |
| C27 | C17 | sing | 1.50Å | 1.53Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| O29 | C30 | sing | 1.36Å | 1.38Å | |
| C18 | C17 | sing | 1.53Å | 1.55Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C17 | C16 | sing | 1.53Å | 1.54Å | |
| C31 | C30 | doub | 1.40Å | 1.41Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.38Å | Aromatic |
| C30 | C35 | sing | 1.38Å | 1.41Å | Aromatic |
| C32 | C33 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | N15 | sing | 1.53Å | 1.46Å | |
| C35 | N15 | sing | 1.46Å | 1.42Å | |
| C35 | C34 | doub | 1.37Å | 1.42Å | Aromatic |
| N15 | C14 | sing | 1.52Å | 1.50Å | |
| C33 | C34 | sing | 1.40Å | 1.37Å | Aromatic |
| C33 | C36 | sing | 1.48Å | 1.46Å | |
| C36 | N38 | sing | 1.37Å | 1.39Å | |
| C36 | O37 | doub | 1.22Å | 1.22Å | |
| C14 | C13 | sing | 1.52Å | 1.53Å | |
| N38 | S39 | sing | 1.67Å | 1.64Å | |
| O40 | S39 | doub | 1.42Å | 1.40Å | |
| C13 | C12 | sing | 1.53Å | 1.54Å | |
| C13 | C10 | sing | 1.54Å | 1.55Å | |
| S39 | O41 | doub | 1.42Å | 1.44Å | |
| S39 | C03 | sing | 1.82Å | 1.71Å | |
| C12 | C11 | sing | 1.54Å | 1.55Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C10 | C08 | sing | 1.52Å | 1.52Å | |
| C03 | C04 | sing | 1.53Å | 1.55Å | |
| C03 | C02 | sing | 1.53Å | 1.56Å | |
| C08 | C07 | sing | 1.51Å | 1.50Å | |
| C08 | O09 | sing | 1.43Å | 1.44Å | |
| C04 | C05 | sing | 1.53Å | 1.51Å | |
| C06 | C07 | doub | 1.31Å | 1.32Å | |
| C06 | C05 | sing | 1.51Å | 1.49Å | |
| C02 | C01 | sing | 1.53Å | 1.51Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C02 | H022 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| O09 | H091 | sing | 0.97Å | 0.95Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.08Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.10Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.08Å | 1.10Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| C34 | H341 | sing | 1.08Å | 1.08Å | |
| N38 | H381 | sing | 0.98Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL24 | C23 | C25 | 118.9° | 120.3° |
| CL24 | C23 | C22 | 118.8° | 120.1° |
| C25 | C23 | C22 | 122.3° | 119.6° |
| C23 | C25 | C26 | 118.0° | 120.1° |
| C23 | C25 | H251 | 121.0° | 119.8° |
| C23 | C22 | C21 | 119.5° | 120.3° |
| C23 | C22 | H221 | 120.2° | 119.8° |
| C25 | C26 | C27 | 121.3° | 120.5° |
| C26 | C25 | H251 | 121.0° | 120.1° |
| C25 | C26 | H261 | 119.4° | 119.5° |
| C22 | C21 | C27 | 120.6° | 120.4° |
| C22 | C21 | C20 | 117.1° | 117.5° |
| C21 | C22 | H221 | 120.3° | 119.9° |
| O29 | C28 | C17 | 110.2° | 107.1° |
| C28 | O29 | C30 | 114.0° | 116.6° |
| O29 | C28 | H281 | 109.3° | 109.8° |
| O29 | C28 | H282 | 109.3° | 110.3° |
| C28 | C17 | C27 | 110.5° | 108.9° |
| C28 | C17 | C18 | 106.6° | 107.7° |
| C28 | C17 | C16 | 108.3° | 107.7° |
| C17 | C28 | H281 | 109.3° | 109.3° |
| C17 | C28 | H282 | 109.3° | 109.8° |
| C26 | C27 | C21 | 118.3° | 119.0° |
| C26 | C27 | C17 | 120.1° | 117.8° |
| C27 | C26 | H261 | 119.4° | 120.0° |
| C27 | C21 | C20 | 122.3° | 122.1° |
| C21 | C27 | C17 | 121.5° | 123.2° |
| C21 | C20 | C19 | 112.0° | 109.0° |
| C21 | C20 | H201 | 108.9° | 109.4° |
| C21 | C20 | H202 | 108.8° | 109.5° |
| C27 | C17 | C18 | 111.7° | 111.9° |
| C27 | C17 | C16 | 109.1° | 110.0° |
| C20 | C19 | C18 | 107.2° | 108.4° |
| C20 | C19 | H191 | 110.0° | 109.0° |
| C20 | C19 | H192 | 110.0° | 109.6° |
| C19 | C20 | H201 | 108.8° | 109.5° |
| C19 | C20 | H202 | 108.9° | 109.3° |
| O29 | C30 | C31 | 115.2° | 117.7° |
| O29 | C30 | C35 | 123.3° | 122.7° |
| C17 | C18 | C19 | 110.5° | 110.2° |
| C18 | C17 | C16 | 110.5° | 110.6° |
| C17 | C18 | H182 | 109.2° | 110.3° |
| C17 | C18 | H181 | 109.2° | 109.0° |
| C19 | C18 | H182 | 109.2° | 110.0° |
| C19 | C18 | H181 | 109.2° | 108.9° |
| C18 | C19 | H191 | 110.0° | 109.8° |
| C18 | C19 | H192 | 110.0° | 109.7° |
| C17 | C16 | N15 | 109.6° | 107.0° |
| C17 | C16 | H162 | 109.4° | 109.9° |
| C17 | C16 | H161 | 109.4° | 109.9° |
| C30 | C31 | C32 | 120.0° | 120.1° |
| C31 | C30 | C35 | 121.6° | 119.6° |
| C30 | C31 | H311 | 120.0° | 119.7° |
| C31 | C32 | C33 | 118.4° | 119.7° |
| C32 | C31 | H311 | 120.0° | 120.2° |
| C31 | C32 | H321 | 120.8° | 120.2° |
| C30 | C35 | N15 | 121.3° | 120.7° |
| C30 | C35 | C34 | 116.8° | 120.9° |
| C32 | C33 | C34 | 122.9° | 120.2° |
| C32 | C33 | C36 | 121.8° | 120.4° |
| C33 | C32 | H321 | 120.8° | 120.1° |
| C16 | N15 | C35 | 117.2° | 103.5° |
| C16 | N15 | C14 | 115.6° | 100.9° |
| N15 | C16 | H162 | 109.4° | 109.5° |
| N15 | C16 | H161 | 109.5° | 110.4° |
| N15 | C35 | C34 | 121.9° | 118.5° |
| C35 | N15 | C14 | 118.6° | 99.8° |
| C35 | C34 | C33 | 120.4° | 119.4° |
| C35 | C34 | H341 | 119.8° | 122.9° |
| N15 | C14 | C13 | 114.1° | 111.4° |
| N15 | C14 | H141 | 108.3° | 108.4° |
| N15 | C14 | H142 | 108.3° | 109.3° |
| C34 | C33 | C36 | 115.4° | 119.4° |
| C33 | C34 | H341 | 119.8° | 117.7° |
| C33 | C36 | N38 | 112.3° | 117.0° |
| C33 | C36 | O37 | 126.3° | 120.7° |
| N38 | C36 | O37 | 121.4° | 122.3° |
| C36 | N38 | S39 | 124.9° | 116.9° |
| C36 | N38 | H381 | 117.5° | 121.8° |
| C14 | C13 | C12 | 118.9° | 115.3° |
| C14 | C13 | C10 | 111.2° | 111.5° |
| C14 | C13 | H131 | 112.2° | 113.5° |
| C13 | C14 | H141 | 108.3° | 108.8° |
| C13 | C14 | H142 | 108.3° | 108.6° |
| N38 | S39 | O40 | 107.4° | 104.6° |
| N38 | S39 | O41 | 103.6° | 105.1° |
| N38 | S39 | C03 | 105.0° | 103.1° |
| S39 | N38 | H381 | 117.5° | 121.2° |
| O40 | S39 | O41 | 120.1° | 121.4° |
| O40 | S39 | C03 | 111.5° | 110.5° |
| C12 | C13 | C10 | 88.6° | 88.7° |
| C13 | C12 | C11 | 87.5° | 89.2° |
| C13 | C12 | H122 | 114.7° | 113.2° |
| C13 | C12 | H121 | 114.6° | 113.9° |
| C12 | C13 | H131 | 111.9° | 112.8° |
| C13 | C10 | C11 | 87.7° | 89.3° |
| C13 | C10 | C08 | 117.7° | 114.0° |
| C13 | C10 | H101 | 110.0° | 112.0° |
| C10 | C13 | H131 | 111.8° | 112.8° |
| O41 | S39 | C03 | 108.0° | 110.3° |
| S39 | C03 | C04 | 117.2° | 109.2° |
| S39 | C03 | C02 | 108.2° | 108.8° |
| S39 | C03 | H031 | 107.3° | 109.3° |
| C12 | C11 | C10 | 88.7° | 88.7° |
| C12 | C11 | H112 | 114.4° | 113.2° |
| C12 | C11 | H111 | 114.4° | 113.1° |
| C11 | C12 | H122 | 114.6° | 111.5° |
| C11 | C12 | H121 | 114.6° | 113.6° |
| C11 | C10 | C08 | 119.1° | 114.6° |
| C11 | C10 | H101 | 110.1° | 113.0° |
| C10 | C11 | H112 | 114.4° | 113.7° |
| C10 | C11 | H111 | 114.4° | 113.0° |
| C10 | C08 | C07 | 114.3° | 108.8° |
| C10 | C08 | O09 | 110.2° | 110.6° |
| C10 | C08 | H081 | 108.9° | 109.2° |
| C08 | C10 | H101 | 110.3° | 112.1° |
| C04 | C03 | C02 | 105.8° | 110.2° |
| C03 | C04 | C05 | 112.6° | 111.6° |
| C04 | C03 | H031 | 109.1° | 110.0° |
| C03 | C04 | H041 | 108.7° | 109.0° |
| C03 | C04 | H042 | 108.7° | 109.3° |
| C03 | C02 | C01 | 111.1° | 109.5° |
| C03 | C02 | H022 | 109.1° | 109.4° |
| C03 | C02 | H021 | 109.1° | 109.5° |
| C02 | C03 | H031 | 109.0° | 109.4° |
| C07 | C08 | O09 | 104.0° | 109.9° |
| C08 | C07 | C06 | 121.2° | 119.8° |
| C08 | C07 | H071 | 119.4° | 119.8° |
| C07 | C08 | H081 | 109.3° | 108.9° |
| O09 | C08 | H081 | 110.0° | 109.4° |
| C08 | O09 | H091 | 109.5° | 113.9° |
| C04 | C05 | C06 | 111.9° | 108.2° |
| C05 | C04 | H041 | 108.7° | 109.1° |
| C05 | C04 | H042 | 108.7° | 109.1° |
| C04 | C05 | H052 | 108.9° | 110.7° |
| C04 | C05 | H051 | 108.9° | 109.9° |
| C07 | C06 | C05 | 121.1° | 119.7° |
| C07 | C06 | H061 | 119.5° | 120.4° |
| C06 | C07 | H071 | 119.4° | 120.2° |
| C06 | C05 | H052 | 108.9° | 108.6° |
| C06 | C05 | H051 | 108.9° | 109.2° |
| C05 | C06 | H061 | 119.5° | 119.9° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.4° |
| C01 | C02 | H022 | 109.1° | 109.4° |
| C01 | C02 | H021 | 109.1° | 109.5° |
| H013 | C01 | H012 | 109.5° | 109.5° |
| H013 | C01 | H011 | 109.5° | 109.4° |
| H012 | C01 | H011 | 109.4° | 109.5° |
| H022 | C02 | H021 | 109.5° | 109.5° |
| H041 | C04 | H042 | 109.5° | 108.6° |
| H052 | C05 | H051 | 109.5° | 110.1° |
| H112 | C11 | H111 | 109.5° | 113.0° |
| H122 | C12 | H121 | 109.5° | 113.2° |
| H141 | C14 | H142 | 109.4° | 110.3° |
| H162 | C16 | H161 | 109.5° | 110.0° |
| H182 | C18 | H181 | 109.5° | 108.3° |
| H191 | C19 | H192 | 109.5° | 110.3° |
| H201 | C20 | H202 | 109.5° | 110.2° |
| H281 | C28 | H282 | 109.5° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL24 | C23 | C25 | C22 | 179.7° | 180.0° |
| CL24 | C23 | C25 | C26 | 178.6° | 179.9° |
| CL24 | C23 | C22 | C21 | 179.2° | 180.0° |
| CL24 | C23 | C22 | H221 | 0.8° | 0.2° |
| CL24 | C23 | C25 | H251 | 1.4° | 0.3° |
| C23 | C25 | C26 | H251 | 180.0° | 179.8° |
| C25 | C23 | C22 | C21 | 1.1° | 0.0° |
| C23 | C25 | C26 | C27 | 2.2° | 0.1° |
| C25 | C23 | C22 | H221 | 178.8° | 179.8° |
| C23 | C25 | C26 | H261 | 177.8° | 179.6° |
| C22 | C23 | C25 | C26 | 1.8° | 0.0° |
| C23 | C22 | C21 | H221 | 180.0° | 179.8° |
| C23 | C22 | C21 | C27 | 0.9° | 0.0° |
| C23 | C22 | C21 | C20 | 180.0° | 179.8° |
| C22 | C23 | C25 | H251 | 178.3° | 179.7° |
| C25 | C26 | C27 | H261 | 180.0° | 179.5° |
| C25 | C26 | C27 | C21 | 1.9° | 0.0° |
| C25 | C26 | C27 | C17 | 178.2° | 180.0° |
| C22 | C21 | C27 | C26 | 1.3° | 0.0° |
| C22 | C21 | C27 | C20 | 179.1° | 179.8° |
| C22 | C21 | C27 | C17 | 178.9° | 180.0° |
| C22 | C21 | C20 | C19 | 158.4° | 155.8° |
| C22 | C21 | C20 | H201 | 81.2° | 36.1° |
| C22 | C21 | C20 | H202 | 38.0° | 84.7° |
| O29 | C28 | C17 | H281 | 120.1° | 118.8° |
| O29 | C28 | C17 | H282 | 120.1° | 119.8° |
| O29 | C28 | C17 | C27 | 81.1° | 168.6° |
| O29 | C28 | C17 | C18 | 157.3° | 47.1° |
| O29 | C28 | C17 | C16 | 38.4° | 72.2° |
| C28 | O29 | C30 | C31 | 134.2° | 110.1° |
| C28 | O29 | C30 | C35 | 45.2° | 70.0° |
| O29 | C28 | H281 | H282 | 119.7° | 121.9° |
| C28 | C17 | C27 | C26 | 50.8° | 52.4° |
| C28 | C17 | C27 | C21 | 129.4° | 127.6° |
| C28 | C17 | C27 | C18 | 118.5° | 118.9° |
| C28 | C17 | C27 | C16 | 119.0° | 117.8° |
| C17 | C28 | O29 | C30 | 93.5° | 82.9° |
| C28 | C17 | C18 | C16 | 117.5° | 117.4° |
| C28 | C17 | C18 | C19 | 165.3° | 161.5° |
| C28 | C17 | C16 | N15 | 51.6° | 84.7° |
| C28 | C17 | C16 | H162 | 171.6° | 34.2° |
| C28 | C17 | C16 | H161 | 68.5° | 155.4° |
| C28 | C17 | C18 | H182 | 74.6° | 76.9° |
| C28 | C17 | C18 | H181 | 45.1° | 42.0° |
| C17 | C28 | H281 | H282 | 119.7° | 121.0° |
| C26 | C27 | C21 | C17 | 179.8° | 180.0° |
| C26 | C27 | C21 | C20 | 179.7° | 179.8° |
| C26 | C27 | C17 | C18 | 169.3° | 171.2° |
| C26 | C27 | C17 | C16 | 68.2° | 65.4° |
| C27 | C26 | C25 | H251 | 177.8° | 179.7° |
| C27 | C21 | C20 | C19 | 22.5° | 24.0° |
| C21 | C27 | C17 | C18 | 10.9° | 8.7° |
| C21 | C27 | C17 | C16 | 111.6° | 114.6° |
| C27 | C21 | C20 | H201 | 97.9° | 143.7° |
| C27 | C21 | C20 | H202 | 142.9° | 95.5° |
| C27 | C21 | C22 | H221 | 179.1° | 179.8° |
| C21 | C27 | C26 | H261 | 178.1° | 179.5° |
| C20 | C21 | C27 | C17 | 0.1° | 0.2° |
| C21 | C20 | C19 | H201 | 120.4° | 119.6° |
| C21 | C20 | C19 | H202 | 120.4° | 119.6° |
| C21 | C20 | C19 | C18 | 54.7° | 56.5° |
| C21 | C20 | C19 | H191 | 174.4° | 63.1° |
| C21 | C20 | C19 | H192 | 64.9° | 176.2° |
| C21 | C20 | H201 | H202 | 118.8° | 120.4° |
| C20 | C21 | C22 | H221 | 0.0° | 0.0° |
| C27 | C17 | C18 | C16 | 121.7° | 123.0° |
| C27 | C17 | C18 | C19 | 44.5° | 41.9° |
| C27 | C17 | C16 | N15 | 171.9° | 156.8° |
| C27 | C17 | C16 | H162 | 68.1° | 84.3° |
| C27 | C17 | C16 | H161 | 51.8° | 36.9° |
| C27 | C17 | C18 | H182 | 164.6° | 163.5° |
| C27 | C17 | C18 | H181 | 75.7° | 77.6° |
| C17 | C27 | C26 | H261 | 1.7° | 0.5° |
| C27 | C17 | C28 | H281 | 158.8° | 72.5° |
| C27 | C17 | C28 | H282 | 39.0° | 48.9° |
| C20 | C19 | C18 | C17 | 67.1° | 67.7° |
| C20 | C19 | C18 | H191 | 119.6° | 119.0° |
| C20 | C19 | C18 | H192 | 119.6° | 119.6° |
| C20 | C19 | C18 | H182 | 172.7° | 170.5° |
| C20 | C19 | C18 | H181 | 53.0° | 51.8° |
| C20 | C19 | H191 | H192 | 121.0° | 120.4° |
| C19 | C20 | H201 | H202 | 118.9° | 120.2° |
| O29 | C30 | C31 | C35 | 179.4° | 179.9° |
| O29 | C30 | C31 | C32 | 179.8° | 179.2° |
| O29 | C30 | C35 | N15 | 2.0° | 1.5° |
| O29 | C30 | C35 | C34 | 179.0° | 178.0° |
| C30 | O29 | C28 | H281 | 26.6° | 35.7° |
| C30 | O29 | C28 | H282 | 146.4° | 157.7° |
| O29 | C30 | C31 | H311 | 0.3° | 0.8° |
| C17 | C18 | C19 | H182 | 120.2° | 121.8° |
| C17 | C18 | C19 | H181 | 120.2° | 119.5° |
| C18 | C17 | C16 | N15 | 64.9° | 32.7° |
| C18 | C17 | C16 | H162 | 55.1° | 151.6° |
| C18 | C17 | C16 | H161 | 175.0° | 87.2° |
| C17 | C18 | H182 | H181 | 119.5° | 119.2° |
| C17 | C18 | C19 | H191 | 173.2° | 51.3° |
| C17 | C18 | C19 | H192 | 52.5° | 172.6° |
| C18 | C17 | C28 | H281 | 37.3° | 165.9° |
| C18 | C17 | C28 | H282 | 82.6° | 72.7° |
| C19 | C18 | C17 | C16 | 77.2° | 81.1° |
| C19 | C18 | H182 | H181 | 119.5° | 119.0° |
| C18 | C19 | H191 | H192 | 121.0° | 121.0° |
| C18 | C19 | C20 | H201 | 65.7° | 176.1° |
| C18 | C19 | C20 | H202 | 175.1° | 63.1° |
| C17 | C16 | N15 | H162 | 120.0° | 119.1° |
| C17 | C16 | N15 | H161 | 120.0° | 119.6° |
| C17 | C16 | N15 | C35 | 88.0° | 93.0° |
| C17 | C16 | N15 | C14 | 124.6° | 164.1° |
| C17 | C16 | H162 | H161 | 119.9° | 121.1° |
| C16 | C17 | C18 | H182 | 43.0° | 40.5° |
| C16 | C17 | C18 | H181 | 162.6° | 159.4° |
| C16 | C17 | C28 | H281 | 81.7° | 46.7° |
| C16 | C17 | C28 | H282 | 158.5° | 168.1° |
| C30 | C31 | C32 | H311 | 180.0° | 180.0° |
| C30 | C31 | C32 | C33 | 1.7° | 0.4° |
| C31 | C30 | C35 | N15 | 178.6° | 178.6° |
| C31 | C30 | C35 | C34 | 0.3° | 1.9° |
| C30 | C31 | C32 | H321 | 178.3° | 179.5° |
| C32 | C31 | C30 | C35 | 0.9° | 0.7° |
| C31 | C32 | C33 | H321 | 180.0° | 179.9° |
| C31 | C32 | C33 | C34 | 1.4° | 0.4° |
| C31 | C32 | C33 | C36 | 179.7° | 179.9° |
| C30 | C35 | N15 | C16 | 30.3° | 64.4° |
| C30 | C35 | N15 | C34 | 178.9° | 179.5° |
| C30 | C35 | N15 | C14 | 176.7° | 168.2° |
| C30 | C35 | C34 | C33 | 0.7° | 1.9° |
| C35 | C30 | C31 | H311 | 179.1° | 179.3° |
| C30 | C35 | C34 | H341 | 179.3° | 177.3° |
| C32 | C33 | C34 | C35 | 0.2° | 0.8° |
| C32 | C33 | C34 | C36 | 178.9° | 179.5° |
| C32 | C33 | C36 | N38 | 48.3° | 177.0° |
| C32 | C33 | C36 | O37 | 134.1° | 2.6° |
| C33 | C32 | C31 | H311 | 178.3° | 179.6° |
| C32 | C33 | C34 | H341 | 179.8° | 178.5° |
| C16 | N15 | C35 | C14 | 146.4° | 103.8° |
| C16 | N15 | C35 | C34 | 148.6° | 116.1° |
| C16 | N15 | C14 | C13 | 76.3° | 61.4° |
| C16 | N15 | C14 | H141 | 163.0° | 178.9° |
| C16 | N15 | C14 | H142 | 44.4° | 58.7° |
| N15 | C16 | H162 | H161 | 119.9° | 121.6° |
| N15 | C35 | C34 | C33 | 178.3° | 178.5° |
| C35 | N15 | C14 | C13 | 70.6° | 167.3° |
| C35 | N15 | C14 | H141 | 50.1° | 73.0° |
| C35 | N15 | C14 | H142 | 168.6° | 47.3° |
| C35 | N15 | C16 | H162 | 152.0° | 26.1° |
| C35 | N15 | C16 | H161 | 32.1° | 147.4° |
| N15 | C35 | C34 | H341 | 1.7° | 2.2° |
| C34 | C35 | N15 | C14 | 2.1° | 12.3° |
| C35 | C34 | C33 | H341 | 180.0° | 179.3° |
| C35 | C34 | C33 | C36 | 179.1° | 178.7° |
| N15 | C14 | C13 | H141 | 120.7° | 119.4° |
| N15 | C14 | C13 | H142 | 120.7° | 120.5° |
| N15 | C14 | C13 | C12 | 81.9° | 51.3° |
| N15 | C14 | C13 | C10 | 177.5° | 150.3° |
| N15 | C14 | C13 | H131 | 51.4° | 80.9° |
| N15 | C14 | H141 | H142 | 117.8° | 119.6° |
| C14 | N15 | C16 | H162 | 4.6° | 76.8° |
| C14 | N15 | C16 | H161 | 115.4° | 44.5° |
| C34 | C33 | C36 | N38 | 130.6° | 3.5° |
| C34 | C33 | C36 | O37 | 46.9° | 177.0° |
| C34 | C33 | C32 | H321 | 178.6° | 179.5° |
| C33 | C36 | N38 | O37 | 177.7° | 179.6° |
| C33 | C36 | N38 | S39 | 179.8° | 171.6° |
| C36 | C33 | C32 | H321 | 0.2° | 0.0° |
| C36 | C33 | C34 | H341 | 0.9° | 1.9° |
| C33 | C36 | N38 | H381 | 0.3° | 9.5° |
| C36 | N38 | S39 | H381 | 180.0° | 178.9° |
| C36 | N38 | S39 | O40 | 52.3° | 108.5° |
| C36 | N38 | S39 | O41 | 179.7° | 20.4° |
| C36 | N38 | S39 | C03 | 66.5° | 136.0° |
| O37 | C36 | N38 | S39 | 2.5° | 8.8° |
| O37 | C36 | N38 | H381 | 177.4° | 170.1° |
| C14 | C13 | C12 | C10 | 113.6° | 113.2° |
| C14 | C13 | C12 | H131 | 133.4° | 132.5° |
| C14 | C13 | C10 | H131 | 126.3° | 129.0° |
| C14 | C13 | C12 | C11 | 133.9° | 128.5° |
| C14 | C13 | C10 | C11 | 141.1° | 132.1° |
| C14 | C13 | C10 | C08 | 97.0° | 111.2° |
| C14 | C13 | C10 | H101 | 30.4° | 17.5° |
| C14 | C13 | C12 | H122 | 17.8° | 118.3° |
| C14 | C13 | C12 | H121 | 110.1° | 12.9° |
| C13 | C14 | H141 | H142 | 117.9° | 119.1° |
| N38 | S39 | O40 | O41 | 117.8° | 118.3° |
| N38 | S39 | O40 | C03 | 114.5° | 110.3° |
| N38 | S39 | O41 | C03 | 111.0° | 110.5° |
| N38 | S39 | C03 | C04 | 51.5° | 32.5° |
| N38 | S39 | C03 | C02 | 170.9° | 87.8° |
| N38 | S39 | C03 | H031 | 71.6° | 152.8° |
| O40 | S39 | O41 | C03 | 129.3° | 131.5° |
| O40 | S39 | C03 | C04 | 167.5° | 78.8° |
| O40 | S39 | C03 | C02 | 73.1° | 160.9° |
| O40 | S39 | C03 | H031 | 44.4° | 41.6° |
| O40 | S39 | N38 | H381 | 127.7° | 70.4° |
| C12 | C13 | C10 | H131 | 113.1° | 114.3° |
| C13 | C12 | C11 | H122 | 116.1° | 114.7° |
| C13 | C12 | C11 | H121 | 116.1° | 115.9° |
| C12 | C13 | C10 | C11 | 20.5° | 15.4° |
| C12 | C13 | C10 | C08 | 142.4° | 132.1° |
| C12 | C13 | C10 | H101 | 90.1° | 99.2° |
| C13 | C12 | C11 | H112 | 136.8° | 99.9° |
| C13 | C12 | C11 | H111 | 95.8° | 129.8° |
| C13 | C12 | H122 | H121 | 130.5° | 131.6° |
| C12 | C13 | C14 | H141 | 157.4° | 68.1° |
| C12 | C13 | C14 | H142 | 38.8° | 171.7° |
| C13 | C10 | C11 | C08 | 120.7° | 116.3° |
| C13 | C10 | C11 | H101 | 110.5° | 113.6° |
| C13 | C10 | C08 | H101 | 127.3° | 128.6° |
| C13 | C10 | C08 | C07 | 67.2° | 83.8° |
| C13 | C10 | C08 | O09 | 176.1° | 37.0° |
| C13 | C10 | C08 | H081 | 55.3° | 157.5° |
| C13 | C10 | C11 | H112 | 136.7° | 99.6° |
| C13 | C10 | C11 | H111 | 95.9° | 129.9° |
| C10 | C13 | C12 | H122 | 95.8° | 128.5° |
| C10 | C13 | C12 | H121 | 136.4° | 100.3° |
| C10 | C13 | C14 | H141 | 56.8° | 30.9° |
| C10 | C13 | C14 | H142 | 61.8° | 89.2° |
| O41 | S39 | C03 | C04 | 58.5° | 144.2° |
| O41 | S39 | C03 | C02 | 60.9° | 24.0° |
| O41 | S39 | C03 | H031 | 178.4° | 95.4° |
| O41 | S39 | N38 | H381 | 0.3° | 160.7° |
| S39 | C03 | C04 | C02 | 120.7° | 119.4° |
| S39 | C03 | C04 | H031 | 122.1° | 119.9° |
| S39 | C03 | C02 | H031 | 116.4° | 119.3° |
| S39 | C03 | C04 | C05 | 152.4° | 179.6° |
| S39 | C03 | C02 | C01 | 79.9° | 68.6° |
| S39 | C03 | C02 | H022 | 159.8° | 51.3° |
| S39 | C03 | C02 | H021 | 40.3° | 171.4° |
| S39 | C03 | C04 | H041 | 32.0° | 58.9° |
| S39 | C03 | C04 | H042 | 87.1° | 59.7° |
| C03 | S39 | N38 | H381 | 113.5° | 45.1° |
| C12 | C11 | C10 | H112 | 116.3° | 114.9° |
| C12 | C11 | C10 | H111 | 116.3° | 114.6° |
| C12 | C11 | C10 | C08 | 141.1° | 131.6° |
| C12 | C11 | C10 | H101 | 90.1° | 98.3° |
| C12 | C11 | H112 | H111 | 129.9° | 130.3° |
| C11 | C12 | H122 | H121 | 130.4° | 129.6° |
| C11 | C12 | C13 | H131 | 92.7° | 99.0° |
| C11 | C10 | C08 | H101 | 128.7° | 130.5° |
| C11 | C10 | C08 | C07 | 36.7° | 175.3° |
| C11 | C10 | C08 | O09 | 80.0° | 63.9° |
| C11 | C10 | C08 | H081 | 159.3° | 56.6° |
| C10 | C11 | H112 | H111 | 129.9° | 130.5° |
| C10 | C11 | C12 | H122 | 95.6° | 130.0° |
| C10 | C11 | C12 | H121 | 136.5° | 100.5° |
| C11 | C10 | C13 | H131 | 92.6° | 98.9° |
| C10 | C08 | C07 | O09 | 120.2° | 121.2° |
| C10 | C08 | C07 | H081 | 122.3° | 119.0° |
| C10 | C08 | O09 | H081 | 120.1° | 120.4° |
| C10 | C08 | C07 | C06 | 117.3° | 93.7° |
| C10 | C08 | C07 | H071 | 62.7° | 82.7° |
| C10 | C08 | O09 | H091 | 180.0° | 179.9° |
| C08 | C10 | C11 | H112 | 102.6° | 16.7° |
| C08 | C10 | C11 | H111 | 24.8° | 113.8° |
| C08 | C10 | C13 | H131 | 29.3° | 17.9° |
| C04 | C03 | C02 | H031 | 117.2° | 121.1° |
| C03 | C04 | C05 | H041 | 120.4° | 120.6° |
| C03 | C04 | C05 | H042 | 120.4° | 120.9° |
| C03 | C04 | C05 | C06 | 78.1° | 176.6° |
| C04 | C03 | C02 | C01 | 153.7° | 171.8° |
| C04 | C03 | C02 | H022 | 33.4° | 68.3° |
| C04 | C03 | C02 | H021 | 86.1° | 51.7° |
| C03 | C04 | H041 | H042 | 118.5° | 119.0° |
| C03 | C04 | C05 | H052 | 161.5° | 57.6° |
| C03 | C04 | C05 | H051 | 42.2° | 64.2° |
| C02 | C03 | C04 | C05 | 86.9° | 61.0° |
| C03 | C02 | C01 | H022 | 120.3° | 119.9° |
| C03 | C02 | C01 | H021 | 120.2° | 120.1° |
| C03 | C02 | C01 | H013 | 180.0° | 172.4° |
| C03 | C02 | C01 | H012 | 60.0° | 67.5° |
| C03 | C02 | C01 | H011 | 60.0° | 52.5° |
| C03 | C02 | H022 | H021 | 119.3° | 120.0° |
| C02 | C03 | C04 | H041 | 152.7° | 178.3° |
| C02 | C03 | C04 | H042 | 33.6° | 59.7° |
| C07 | C08 | O09 | H081 | 116.9° | 119.5° |
| C08 | C07 | C06 | H071 | 180.0° | 176.4° |
| C08 | C07 | C06 | C05 | 170.4° | 172.9° |
| C08 | C07 | C06 | H061 | 9.6° | 7.6° |
| C07 | C08 | O09 | H091 | 57.1° | 60.1° |
| C07 | C08 | C10 | H101 | 165.5° | 44.8° |
| O09 | C08 | C07 | C06 | 122.5° | 145.1° |
| O09 | C08 | C07 | H071 | 57.5° | 38.5° |
| O09 | C08 | C10 | H101 | 48.8° | 165.5° |
| C04 | C05 | C06 | C07 | 145.6° | 76.3° |
| C04 | C05 | C06 | H052 | 120.4° | 120.3° |
| C04 | C05 | C06 | H051 | 120.4° | 119.7° |
| C05 | C04 | C03 | H031 | 30.3° | 59.7° |
| C05 | C04 | H041 | H042 | 118.6° | 118.8° |
| C04 | C05 | H052 | H051 | 118.9° | 121.8° |
| C04 | C05 | C06 | H061 | 34.4° | 104.2° |
| C07 | C06 | C05 | H061 | 180.0° | 179.5° |
| C07 | C06 | C05 | H052 | 25.3° | 44.0° |
| C07 | C06 | C05 | H051 | 94.0° | 164.0° |
| C06 | C07 | C08 | H081 | 5.0° | 25.2° |
| C06 | C05 | C04 | H041 | 42.3° | 62.8° |
| C06 | C05 | C04 | H042 | 161.4° | 55.7° |
| C06 | C05 | H052 | H051 | 118.9° | 119.5° |
| C05 | C06 | C07 | H071 | 9.7° | 3.5° |
| C02 | C01 | H013 | H012 | 120.0° | 120.1° |
| C02 | C01 | H013 | H011 | 120.0° | 119.9° |
| C02 | C01 | H012 | H011 | 120.0° | 120.0° |
| C01 | C02 | H022 | H021 | 119.3° | 120.0° |
| C01 | C02 | C03 | H031 | 36.4° | 50.7° |
| H013 | C01 | H012 | H011 | 120.0° | 119.9° |
| H013 | C01 | C02 | H022 | 59.8° | 67.6° |
| H013 | C01 | C02 | H021 | 59.8° | 52.4° |
| H012 | C01 | C02 | H022 | 179.8° | 52.4° |
| H012 | C01 | C02 | H021 | 60.2° | 172.4° |
| H011 | C01 | C02 | H022 | 60.3° | 172.4° |
| H011 | C01 | C02 | H021 | 179.8° | 67.6° |
| H022 | C02 | C03 | H031 | 83.8° | 170.6° |
| H021 | C02 | C03 | H031 | 156.7° | 69.3° |
| H031 | C03 | C04 | H041 | 90.1° | 61.0° |
| H031 | C03 | C04 | H042 | 150.8° | 179.6° |
| H041 | C04 | C05 | H052 | 78.0° | 178.2° |
| H041 | C04 | C05 | H051 | 162.7° | 56.4° |
| H042 | C04 | C05 | H052 | 41.1° | 63.3° |
| H042 | C04 | C05 | H051 | 78.2° | 174.9° |
| H052 | C05 | C06 | H061 | 154.7° | 135.5° |
| H051 | C05 | C06 | H061 | 86.0° | 15.4° |
| H061 | C06 | C07 | H071 | 170.3° | 176.0° |
| H071 | C07 | C08 | H081 | 175.0° | 158.3° |
| H081 | C08 | O09 | H091 | 59.9° | 59.5° |
| H081 | C08 | C10 | H101 | 72.0° | 74.0° |
| H101 | C10 | C11 | H112 | 26.2° | 146.8° |
| H101 | C10 | C11 | H111 | 153.6° | 16.3° |
| H101 | C10 | C13 | H131 | 156.8° | 146.5° |
| H112 | C11 | C12 | H122 | 20.7° | 14.8° |
| H112 | C11 | C12 | H121 | 107.1° | 144.2° |
| H111 | C11 | C12 | H122 | 148.1° | 115.5° |
| H111 | C11 | C12 | H121 | 20.2° | 13.9° |
| H122 | C12 | C13 | H131 | 151.3° | 14.2° |
| H121 | C12 | C13 | H131 | 23.4° | 145.4° |
| H131 | C13 | C14 | H141 | 69.3° | 159.6° |
| H131 | C13 | C14 | H142 | 172.1° | 39.5° |
| H182 | C18 | C19 | H191 | 53.1° | 70.5° |
| H182 | C18 | C19 | H192 | 67.7° | 50.8° |
| H181 | C18 | C19 | H191 | 66.6° | 170.8° |
| H181 | C18 | C19 | H192 | 172.7° | 67.8° |
| H191 | C19 | C20 | H201 | 54.0° | 56.6° |
| H191 | C19 | C20 | H202 | 65.3° | 177.3° |
| H192 | C19 | C20 | H201 | 174.7° | 64.2° |
| H192 | C19 | C20 | H202 | 55.4° | 56.6° |
| H251 | C25 | C26 | H261 | 2.2° | 0.2° |
| H311 | C31 | C32 | H321 | 1.7° | 0.5° |
