NG4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O38 | C39 | sing | 1.43Å | 1.40Å | |
| O41 | C40 | sing | 1.43Å | 1.41Å | |
| C39 | C40 | sing | 1.53Å | 1.51Å | |
| C39 | C01 | sing | 1.51Å | 1.52Å | |
| C02 | C01 | doub | 1.38Å | 1.52Å | Aromatic |
| C02 | C03 | sing | 1.38Å | 1.51Å | Aromatic |
| C01 | C06 | sing | 1.38Å | 1.51Å | Aromatic |
| C14 | C12 | sing | 1.53Å | 1.53Å | |
| C03 | C04 | doub | 1.38Å | 1.52Å | Aromatic |
| O17 | C16 | sing | 1.43Å | 1.40Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | N10 | sing | 1.46Å | 1.46Å | |
| C06 | C05 | doub | 1.38Å | 1.51Å | Aromatic |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | N10 | sing | 1.46Å | 1.46Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C16 | C18 | sing | 1.53Å | 1.52Å | |
| N10 | S07 | sing | 1.66Å | 1.71Å | |
| C04 | C05 | sing | 1.38Å | 1.51Å | Aromatic |
| C04 | S07 | sing | 1.76Å | 1.79Å | |
| S07 | O09 | doub | 1.42Å | 1.46Å | |
| S07 | O08 | doub | 1.42Å | 1.46Å | |
| C18 | C31 | sing | 1.53Å | 1.53Å | |
| C18 | N19 | sing | 1.47Å | 1.45Å | |
| C31 | C32 | sing | 1.51Å | 1.52Å | |
| N19 | C20 | sing | 1.35Å | 1.44Å | |
| C32 | C37 | doub | 1.38Å | 1.52Å | Aromatic |
| C32 | C33 | sing | 1.38Å | 1.52Å | Aromatic |
| C20 | O22 | sing | 1.35Å | 1.40Å | |
| C20 | O21 | doub | 1.22Å | 1.20Å | |
| O22 | C23 | sing | 1.45Å | 1.49Å | |
| C37 | C36 | sing | 1.38Å | 1.52Å | Aromatic |
| C24 | O25 | sing | 1.44Å | 1.53Å | |
| C24 | C23 | sing | 1.54Å | 1.23Å | |
| C33 | C34 | doub | 1.38Å | 1.52Å | Aromatic |
| O25 | C27 | sing | 1.44Å | 1.51Å | |
| C23 | C26 | sing | 1.54Å | 1.62Å | |
| C29 | O30 | sing | 1.44Å | 1.29Å | |
| C29 | C28 | sing | 1.54Å | 1.51Å | |
| O30 | C27 | sing | 1.44Å | 1.65Å | |
| C36 | C35 | doub | 1.38Å | 1.52Å | Aromatic |
| C27 | C26 | sing | 1.56Å | 1.25Å | |
| C34 | C35 | sing | 1.38Å | 1.52Å | Aromatic |
| C26 | C28 | sing | 1.54Å | 1.58Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H133 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.08Å | 1.08Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| C34 | H341 | sing | 1.08Å | 1.08Å | |
| C35 | H351 | sing | 1.08Å | 1.08Å | |
| C36 | H361 | sing | 1.08Å | 1.08Å | |
| C37 | H371 | sing | 1.08Å | 1.08Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| N19 | H191 | sing | 0.97Å | 1.00Å | |
| O17 | H171 | sing | 0.97Å | 0.95Å | |
| O38 | H381 | sing | 0.97Å | 0.95Å | |
| O41 | H411 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O38 | C39 | C40 | 109.5° | 109.4° |
| O38 | C39 | C01 | 106.3° | 109.5° |
| O38 | C39 | H391 | 111.1° | 109.5° |
| C39 | O38 | H381 | 109.5° | 113.9° |
| O41 | C40 | C39 | 107.9° | 109.5° |
| O41 | C40 | H401 | 109.9° | 109.5° |
| O41 | C40 | H402 | 109.9° | 109.5° |
| C40 | O41 | H411 | 109.5° | 114.0° |
| C40 | C39 | C01 | 111.2° | 109.5° |
| C40 | C39 | H391 | 109.4° | 109.4° |
| C39 | C40 | H401 | 109.9° | 109.5° |
| C39 | C40 | H402 | 109.8° | 109.5° |
| C39 | C01 | C02 | 119.1° | 120.0° |
| C39 | C01 | C06 | 118.8° | 120.0° |
| C01 | C39 | H391 | 109.4° | 109.5° |
| C01 | C02 | C03 | 119.6° | 120.0° |
| C02 | C01 | C06 | 122.0° | 120.0° |
| C01 | C02 | H021 | 120.2° | 120.0° |
| C02 | C03 | C04 | 117.9° | 120.0° |
| C03 | C02 | H021 | 120.2° | 120.0° |
| C02 | C03 | H031 | 121.1° | 120.0° |
| C01 | C06 | C05 | 118.6° | 120.0° |
| C01 | C06 | H061 | 120.7° | 120.0° |
| C14 | C12 | C11 | 108.8° | 109.5° |
| C14 | C12 | C13 | 109.5° | 109.4° |
| C14 | C12 | H121 | 109.1° | 109.5° |
| C12 | C14 | H143 | 109.5° | 109.5° |
| C12 | C14 | H141 | 109.4° | 109.5° |
| C12 | C14 | H142 | 109.5° | 109.5° |
| C03 | C04 | C05 | 122.7° | 120.0° |
| C03 | C04 | S07 | 119.7° | 120.0° |
| C04 | C03 | H031 | 121.1° | 120.0° |
| O17 | C16 | C15 | 109.7° | 109.4° |
| O17 | C16 | C18 | 108.5° | 109.4° |
| O17 | C16 | H161 | 110.3° | 109.4° |
| C16 | O17 | H171 | 109.5° | 114.0° |
| C12 | C11 | N10 | 111.7° | 109.5° |
| C11 | C12 | C13 | 111.3° | 109.5° |
| C12 | C11 | H111 | 108.9° | 109.4° |
| C12 | C11 | H112 | 108.9° | 109.5° |
| C11 | C12 | H121 | 109.1° | 109.5° |
| C11 | N10 | C15 | 118.8° | 120.0° |
| C11 | N10 | S07 | 114.9° | 120.0° |
| N10 | C11 | H111 | 108.9° | 109.5° |
| N10 | C11 | H112 | 108.9° | 109.5° |
| C06 | C05 | C04 | 119.2° | 120.0° |
| C06 | C05 | H051 | 120.4° | 120.0° |
| C05 | C06 | H061 | 120.7° | 120.0° |
| C16 | C15 | N10 | 109.8° | 109.5° |
| C15 | C16 | C18 | 111.4° | 109.5° |
| C16 | C15 | H151 | 109.4° | 109.4° |
| C16 | C15 | H152 | 109.4° | 109.5° |
| C15 | C16 | H161 | 108.4° | 109.5° |
| C15 | N10 | S07 | 117.0° | 120.0° |
| N10 | C15 | H151 | 109.4° | 109.5° |
| N10 | C15 | H152 | 109.4° | 109.5° |
| C12 | C13 | H131 | 109.5° | 109.5° |
| C12 | C13 | H132 | 109.5° | 109.5° |
| C12 | C13 | H133 | 109.5° | 109.5° |
| C13 | C12 | H121 | 109.1° | 109.5° |
| C16 | C18 | C31 | 111.2° | 109.5° |
| C16 | C18 | N19 | 108.0° | 109.5° |
| C18 | C16 | H161 | 108.5° | 109.5° |
| C16 | C18 | H181 | 109.9° | 109.4° |
| N10 | S07 | C04 | 104.5° | 107.2° |
| N10 | S07 | O09 | 112.7° | 106.4° |
| N10 | S07 | O08 | 110.0° | 106.4° |
| C05 | C04 | S07 | 117.6° | 120.0° |
| C04 | C05 | H051 | 120.4° | 120.0° |
| C04 | S07 | O09 | 112.2° | 106.4° |
| C04 | S07 | O08 | 109.3° | 106.4° |
| O09 | S07 | O08 | 108.1° | 123.1° |
| C31 | C18 | N19 | 106.8° | 109.5° |
| C18 | C31 | C32 | 107.7° | 109.5° |
| C31 | C18 | H181 | 109.9° | 109.5° |
| C18 | C31 | H312 | 109.9° | 109.5° |
| C18 | C31 | H311 | 109.9° | 109.4° |
| C18 | N19 | C20 | 123.0° | 120.0° |
| N19 | C18 | H181 | 111.0° | 109.4° |
| C18 | N19 | H191 | 118.5° | 120.0° |
| C31 | C32 | C37 | 119.2° | 119.9° |
| C31 | C32 | C33 | 120.5° | 120.0° |
| C32 | C31 | H312 | 109.9° | 109.5° |
| C32 | C31 | H311 | 109.9° | 109.5° |
| N19 | C20 | O22 | 113.7° | 120.0° |
| N19 | C20 | O21 | 123.1° | 120.0° |
| C20 | N19 | H191 | 118.5° | 120.0° |
| C37 | C32 | C33 | 120.4° | 120.0° |
| C32 | C37 | C36 | 120.1° | 120.0° |
| C32 | C37 | H371 | 120.0° | 120.0° |
| C32 | C33 | C34 | 119.4° | 120.0° |
| C32 | C33 | H331 | 120.3° | 120.0° |
| O22 | C20 | O21 | 123.2° | 120.0° |
| C20 | O22 | C23 | 119.7° | 117.0° |
| O22 | C23 | C24 | 108.2° | 110.5° |
| O22 | C23 | C26 | 109.0° | 110.5° |
| O22 | C23 | H231 | 110.4° | 110.5° |
| C37 | C36 | C35 | 119.8° | 120.0° |
| C37 | C36 | H361 | 120.1° | 120.0° |
| C36 | C37 | H371 | 120.0° | 120.0° |
| O25 | C24 | C23 | 103.9° | 104.8° |
| C24 | O25 | C27 | 104.6° | 105.5° |
| O25 | C24 | H241 | 110.9° | 110.4° |
| O25 | C24 | H242 | 110.9° | 110.4° |
| C24 | C23 | C26 | 105.1° | 104.2° |
| C23 | C24 | H241 | 110.9° | 110.4° |
| C23 | C24 | H242 | 110.8° | 110.3° |
| C24 | C23 | H231 | 115.2° | 110.5° |
| C33 | C34 | C35 | 120.2° | 120.0° |
| C34 | C33 | H331 | 120.3° | 120.0° |
| C33 | C34 | H341 | 119.9° | 120.0° |
| O25 | C27 | O30 | 109.6° | 109.2° |
| O25 | C27 | C26 | 106.7° | 104.7° |
| O25 | C27 | H271 | 110.0° | 112.5° |
| C23 | C26 | C27 | 106.4° | 103.9° |
| C23 | C26 | C28 | 110.1° | 108.8° |
| C23 | C26 | H261 | 109.0° | 112.8° |
| C26 | C23 | H231 | 108.7° | 110.5° |
| O30 | C29 | C28 | 105.8° | 104.6° |
| C29 | O30 | C27 | 108.1° | 105.7° |
| O30 | C29 | H291 | 110.4° | 110.4° |
| O30 | C29 | H292 | 110.4° | 110.4° |
| C29 | C28 | C26 | 103.8° | 104.2° |
| C29 | C28 | H281 | 110.9° | 110.5° |
| C29 | C28 | H282 | 110.9° | 110.6° |
| C28 | C29 | H291 | 110.4° | 110.2° |
| C28 | C29 | H292 | 110.4° | 110.7° |
| O30 | C27 | C26 | 108.0° | 104.8° |
| O30 | C27 | H271 | 108.2° | 112.5° |
| C36 | C35 | C34 | 120.2° | 120.0° |
| C36 | C35 | H351 | 119.9° | 120.0° |
| C35 | C36 | H361 | 120.1° | 120.0° |
| C27 | C26 | C28 | 106.5° | 104.0° |
| C27 | C26 | H261 | 115.0° | 113.7° |
| C26 | C27 | H271 | 114.3° | 112.6° |
| C35 | C34 | H341 | 119.9° | 120.0° |
| C34 | C35 | H351 | 119.9° | 120.0° |
| C28 | C26 | H261 | 109.6° | 112.8° |
| C26 | C28 | H281 | 110.9° | 110.5° |
| C26 | C28 | H282 | 110.9° | 110.5° |
| H131 | C13 | H132 | 109.5° | 109.4° |
| H131 | C13 | H133 | 109.5° | 109.4° |
| H132 | C13 | H133 | 109.5° | 109.4° |
| H151 | C15 | H152 | 109.5° | 109.4° |
| H241 | C24 | H242 | 109.4° | 110.5° |
| H281 | C28 | H282 | 109.5° | 110.5° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H143 | C14 | H141 | 109.5° | 109.5° |
| H143 | C14 | H142 | 109.5° | 109.4° |
| H141 | C14 | H142 | 109.5° | 109.4° |
| H291 | C29 | H292 | 109.5° | 110.5° |
| H312 | C31 | H311 | 109.5° | 109.5° |
| H401 | C40 | H402 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O38 | C39 | C40 | O41 | 68.6° | 65.0° |
| O38 | C39 | C40 | C01 | 117.1° | 120.0° |
| O38 | C39 | C40 | H391 | 121.9° | 120.0° |
| O38 | C39 | C01 | H391 | 120.0° | 120.1° |
| O38 | C39 | C01 | C02 | 47.0° | 40.3° |
| O38 | C39 | C01 | C06 | 131.4° | 140.0° |
| O38 | C39 | C40 | H401 | 51.2° | 175.0° |
| O38 | C39 | C40 | H402 | 171.6° | 55.0° |
| O41 | C40 | C39 | H401 | 119.8° | 120.0° |
| O41 | C40 | C39 | H402 | 119.8° | 120.0° |
| O41 | C40 | C39 | C01 | 174.3° | 175.0° |
| O41 | C40 | C39 | H391 | 53.3° | 55.0° |
| O41 | C40 | H401 | H402 | 120.7° | 120.0° |
| C40 | C39 | C01 | H391 | 120.9° | 120.0° |
| C40 | C39 | C01 | C02 | 72.0° | 79.7° |
| C40 | C39 | C01 | C06 | 109.6° | 100.0° |
| C39 | C40 | H401 | H402 | 120.7° | 120.0° |
| C40 | C39 | O38 | H381 | 180.0° | 60.0° |
| C39 | C40 | O41 | H411 | 180.0° | 179.9° |
| C39 | C01 | C02 | C06 | 178.3° | 179.7° |
| C39 | C01 | C02 | C03 | 178.9° | 179.7° |
| C39 | C01 | C06 | C05 | 179.1° | 179.7° |
| C39 | C01 | C02 | H021 | 1.1° | 0.3° |
| C39 | C01 | C06 | H061 | 0.9° | 0.2° |
| C01 | C39 | C40 | H401 | 65.9° | 55.0° |
| C01 | C39 | C40 | H402 | 54.5° | 65.0° |
| C01 | C39 | O38 | H381 | 59.9° | 60.0° |
| C01 | C02 | C03 | H021 | 180.0° | 180.0° |
| C01 | C02 | C03 | C04 | 0.2° | 0.0° |
| C02 | C01 | C06 | C05 | 0.8° | 0.0° |
| C01 | C02 | C03 | H031 | 179.8° | 179.9° |
| C02 | C01 | C06 | H061 | 179.2° | 179.9° |
| C02 | C01 | C39 | H391 | 167.0° | 160.3° |
| C03 | C02 | C01 | C06 | 0.6° | 0.0° |
| C02 | C03 | C04 | H031 | 180.0° | 179.9° |
| C02 | C03 | C04 | C05 | 0.9° | 0.0° |
| C02 | C03 | C04 | S07 | 178.5° | 180.0° |
| C01 | C06 | C05 | H061 | 180.0° | 179.9° |
| C01 | C06 | C05 | C04 | 0.0° | 0.0° |
| C06 | C01 | C02 | H021 | 179.4° | 180.0° |
| C01 | C06 | C05 | H051 | 180.0° | 180.0° |
| C06 | C01 | C39 | H391 | 11.3° | 19.9° |
| C14 | C12 | C11 | C13 | 120.7° | 120.0° |
| C14 | C12 | C11 | H121 | 118.9° | 120.0° |
| C14 | C12 | C11 | N10 | 174.2° | 174.2° |
| C14 | C12 | C13 | H121 | 119.3° | 120.0° |
| C14 | C12 | C13 | H131 | 180.0° | 68.3° |
| C14 | C12 | C13 | H132 | 60.0° | 171.7° |
| C14 | C12 | C13 | H133 | 60.0° | 51.7° |
| C14 | C12 | C11 | H111 | 53.9° | 65.8° |
| C14 | C12 | C11 | H112 | 65.5° | 54.2° |
| C12 | C14 | H143 | H141 | 120.0° | 120.1° |
| C12 | C14 | H143 | H142 | 120.0° | 120.0° |
| C12 | C14 | H141 | H142 | 120.0° | 120.0° |
| C03 | C04 | C05 | C06 | 0.8° | 0.0° |
| C03 | C04 | S07 | N10 | 76.6° | 84.8° |
| C03 | C04 | C05 | S07 | 177.6° | 180.0° |
| C03 | C04 | S07 | O09 | 45.8° | 28.7° |
| C03 | C04 | S07 | O08 | 165.8° | 161.7° |
| C04 | C03 | C02 | H021 | 179.8° | 180.0° |
| C03 | C04 | C05 | H051 | 179.2° | 180.0° |
| O17 | C16 | C15 | C18 | 120.2° | 119.9° |
| O17 | C16 | C15 | H161 | 120.5° | 120.0° |
| O17 | C16 | C15 | N10 | 170.3° | 67.1° |
| O17 | C16 | C18 | H161 | 119.9° | 120.0° |
| O17 | C16 | C18 | C31 | 50.9° | 55.0° |
| O17 | C16 | C18 | N19 | 66.0° | 65.1° |
| O17 | C16 | C15 | H151 | 69.6° | 172.9° |
| O17 | C16 | C15 | H152 | 50.2° | 52.9° |
| O17 | C16 | C18 | H181 | 172.7° | 175.0° |
| C12 | C11 | N10 | H111 | 120.3° | 120.0° |
| C12 | C11 | N10 | H112 | 120.3° | 120.0° |
| C12 | C11 | N10 | C15 | 79.4° | 87.2° |
| C11 | C12 | C13 | H121 | 120.5° | 120.0° |
| C12 | C11 | N10 | S07 | 134.8° | 92.9° |
| C11 | C12 | C13 | H131 | 59.8° | 51.7° |
| C11 | C12 | C13 | H132 | 60.3° | 68.3° |
| C11 | C12 | C13 | H133 | 179.8° | 171.7° |
| C12 | C11 | H111 | H112 | 119.0° | 120.0° |
| C11 | C12 | C14 | H143 | 180.0° | 59.9° |
| C11 | C12 | C14 | H141 | 60.0° | 180.0° |
| C11 | C12 | C14 | H142 | 60.0° | 60.0° |
| C11 | N10 | C15 | C16 | 102.9° | 82.1° |
| C11 | N10 | C15 | S07 | 145.1° | 180.0° |
| N10 | C11 | C12 | C13 | 65.1° | 65.9° |
| C11 | N10 | S07 | C04 | 51.3° | 83.5° |
| C11 | N10 | S07 | O09 | 173.4° | 30.1° |
| C11 | N10 | S07 | O08 | 65.9° | 162.9° |
| C11 | N10 | C15 | H151 | 137.0° | 37.9° |
| C11 | N10 | C15 | H152 | 17.1° | 157.9° |
| N10 | C11 | H111 | H112 | 119.0° | 120.0° |
| N10 | C11 | C12 | H121 | 55.3° | 54.1° |
| C06 | C05 | C04 | H051 | 180.0° | 180.0° |
| C06 | C05 | C04 | S07 | 178.4° | 180.0° |
| C16 | C15 | N10 | H151 | 120.0° | 120.0° |
| C16 | C15 | N10 | H152 | 120.1° | 120.0° |
| C15 | C16 | C18 | H161 | 119.2° | 120.1° |
| C16 | C15 | N10 | S07 | 111.9° | 97.9° |
| C15 | C16 | C18 | C31 | 70.0° | 65.0° |
| C15 | C16 | C18 | N19 | 173.1° | 175.0° |
| C16 | C15 | H151 | H152 | 119.8° | 120.0° |
| C15 | C16 | C18 | H181 | 51.8° | 55.1° |
| C15 | C16 | O17 | H171 | 180.0° | 63.7° |
| N10 | C15 | C16 | C18 | 69.5° | 172.9° |
| C15 | N10 | S07 | C04 | 95.2° | 96.4° |
| C15 | N10 | S07 | O09 | 26.9° | 150.0° |
| C15 | N10 | S07 | O08 | 147.6° | 17.1° |
| N10 | C15 | H151 | H152 | 119.9° | 120.0° |
| C15 | N10 | C11 | H111 | 41.0° | 32.8° |
| C15 | N10 | C11 | H112 | 160.3° | 152.9° |
| N10 | C15 | C16 | H161 | 49.8° | 52.8° |
| C12 | C13 | H131 | H132 | 120.0° | 120.0° |
| C12 | C13 | H131 | H133 | 120.0° | 120.1° |
| C12 | C13 | H132 | H133 | 120.0° | 120.1° |
| C13 | C12 | C11 | H111 | 174.6° | 54.2° |
| C13 | C12 | C11 | H112 | 55.2° | 174.2° |
| C13 | C12 | C14 | H143 | 58.2° | 60.1° |
| C13 | C12 | C14 | H141 | 61.8° | 60.0° |
| C13 | C12 | C14 | H142 | 178.2° | 180.0° |
| C16 | C18 | C31 | N19 | 117.6° | 120.0° |
| C16 | C18 | C31 | H181 | 121.8° | 120.0° |
| C16 | C18 | N19 | H181 | 120.5° | 119.9° |
| C16 | C18 | C31 | C32 | 175.8° | 175.0° |
| C16 | C18 | N19 | C20 | 110.5° | 155.0° |
| C18 | C16 | C15 | H151 | 50.6° | 52.9° |
| C18 | C16 | C15 | H152 | 170.4° | 67.0° |
| C16 | C18 | C31 | H312 | 56.1° | 65.0° |
| C16 | C18 | C31 | H311 | 64.5° | 55.0° |
| C16 | C18 | N19 | H191 | 69.5° | 25.1° |
| C18 | C16 | O17 | H171 | 58.1° | 56.2° |
| N10 | S07 | C04 | C05 | 101.1° | 95.1° |
| N10 | S07 | C04 | O09 | 122.4° | 113.6° |
| N10 | S07 | C04 | O08 | 117.7° | 113.5° |
| N10 | S07 | O09 | O08 | 121.7° | 122.9° |
| S07 | N10 | C15 | H151 | 8.1° | 142.1° |
| S07 | N10 | C15 | H152 | 128.0° | 22.1° |
| S07 | N10 | C11 | H111 | 104.9° | 147.1° |
| S07 | N10 | C11 | H112 | 14.5° | 27.1° |
| C05 | C04 | S07 | O09 | 136.5° | 151.3° |
| C05 | C04 | S07 | O08 | 16.6° | 18.4° |
| C05 | C04 | C03 | H031 | 179.1° | 179.9° |
| C04 | C05 | C06 | H061 | 180.0° | 179.9° |
| C04 | S07 | O09 | O08 | 120.7° | 123.0° |
| S07 | C04 | C03 | H031 | 1.6° | 0.1° |
| S07 | C04 | C05 | H051 | 1.6° | 0.0° |
| C31 | C18 | N19 | H181 | 119.8° | 120.0° |
| C18 | C31 | C32 | H312 | 119.7° | 120.0° |
| C18 | C31 | C32 | H311 | 119.7° | 119.9° |
| C31 | C18 | N19 | C20 | 129.8° | 85.0° |
| C18 | C31 | C32 | C37 | 103.1° | 90.0° |
| C18 | C31 | C32 | C33 | 75.9° | 89.7° |
| C31 | C18 | C16 | H161 | 170.7° | 174.9° |
| C18 | C31 | H312 | H311 | 120.8° | 119.9° |
| C31 | C18 | N19 | H191 | 50.2° | 94.9° |
| N19 | C18 | C31 | C32 | 58.2° | 65.0° |
| C18 | N19 | C20 | H191 | 180.0° | 179.9° |
| C18 | N19 | C20 | O22 | 174.3° | 180.0° |
| C18 | N19 | C20 | O21 | 4.8° | 0.0° |
| N19 | C18 | C16 | H161 | 53.9° | 54.9° |
| N19 | C18 | C31 | H312 | 61.6° | 55.0° |
| N19 | C18 | C31 | H311 | 177.9° | 175.0° |
| C31 | C32 | C37 | C33 | 178.9° | 179.7° |
| C31 | C32 | C37 | C36 | 179.4° | 179.7° |
| C31 | C32 | C33 | C34 | 179.2° | 180.0° |
| C32 | C31 | C18 | H181 | 62.4° | 55.0° |
| C32 | C31 | H312 | H311 | 120.9° | 120.0° |
| C31 | C32 | C33 | H331 | 0.8° | 0.0° |
| C31 | C32 | C37 | H371 | 0.6° | 0.1° |
| N19 | C20 | O22 | O21 | 179.1° | 180.0° |
| N19 | C20 | O22 | C23 | 172.3° | 180.0° |
| C20 | N19 | C18 | H181 | 10.1° | 35.1° |
| C32 | C37 | C36 | H371 | 180.0° | 179.7° |
| C37 | C32 | C33 | C34 | 0.3° | 0.3° |
| C32 | C37 | C36 | C35 | 0.2° | 0.5° |
| C37 | C32 | C31 | H312 | 16.6° | 30.0° |
| C37 | C32 | C31 | H311 | 137.2° | 150.1° |
| C37 | C32 | C33 | H331 | 179.8° | 179.7° |
| C32 | C37 | C36 | H361 | 179.8° | 179.7° |
| C33 | C32 | C37 | C36 | 0.5° | 0.5° |
| C32 | C33 | C34 | H331 | 180.0° | 180.0° |
| C32 | C33 | C34 | C35 | 0.3° | 0.0° |
| C33 | C32 | C31 | H312 | 164.4° | 150.3° |
| C33 | C32 | C31 | H311 | 43.8° | 30.2° |
| C32 | C33 | C34 | H341 | 179.7° | 180.0° |
| C33 | C32 | C37 | H371 | 179.5° | 179.8° |
| C20 | O22 | C23 | C24 | 136.9° | 91.4° |
| C20 | O22 | C23 | C26 | 109.3° | 153.8° |
| C20 | O22 | C23 | H231 | 10.0° | 31.1° |
| O22 | C20 | N19 | H191 | 5.6° | 0.0° |
| O21 | C20 | O22 | C23 | 8.5° | 0.0° |
| O21 | C20 | N19 | H191 | 175.2° | 179.9° |
| O22 | C23 | C24 | O25 | 80.8° | 143.1° |
| O22 | C23 | C24 | C26 | 116.3° | 118.7° |
| O22 | C23 | C24 | H231 | 124.1° | 122.6° |
| O22 | C23 | C26 | H231 | 120.4° | 122.6° |
| O22 | C23 | C26 | C27 | 81.2° | 119.4° |
| O22 | C23 | C26 | C28 | 33.9° | 9.1° |
| O22 | C23 | C24 | H241 | 38.3° | 98.0° |
| O22 | C23 | C24 | H242 | 160.0° | 24.4° |
| O22 | C23 | C26 | H261 | 154.1° | 117.0° |
| C37 | C36 | C35 | H361 | 180.0° | 179.8° |
| C37 | C36 | C35 | C34 | 0.3° | 0.3° |
| C37 | C36 | C35 | H351 | 179.7° | 179.8° |
| O25 | C24 | C23 | H241 | 119.1° | 118.8° |
| O25 | C24 | C23 | H242 | 119.1° | 118.8° |
| O25 | C24 | C23 | C26 | 35.5° | 24.4° |
| C24 | O25 | C27 | O30 | 122.5° | 71.7° |
| C24 | O25 | C27 | C26 | 5.8° | 40.1° |
| O25 | C24 | H241 | H242 | 122.6° | 122.3° |
| O25 | C24 | C23 | H231 | 155.1° | 94.3° |
| C24 | O25 | C27 | H271 | 118.7° | 162.7° |
| C23 | C24 | O25 | C27 | 28.8° | 40.6° |
| C24 | C23 | C26 | H231 | 123.9° | 118.7° |
| C24 | C23 | C26 | C27 | 34.5° | 0.7° |
| C24 | C23 | C26 | C28 | 149.6° | 109.6° |
| C23 | C24 | H241 | H242 | 122.6° | 122.3° |
| C24 | C23 | C26 | H261 | 90.1° | 124.4° |
| C33 | C34 | C35 | C36 | 0.6° | 0.0° |
| C33 | C34 | C35 | H341 | 180.0° | 180.0° |
| C33 | C34 | C35 | H351 | 179.4° | 180.0° |
| O25 | C27 | C26 | C23 | 13.6° | 23.2° |
| O25 | C27 | O30 | C29 | 111.6° | 151.2° |
| O25 | C27 | O30 | C26 | 115.9° | 111.7° |
| O25 | C27 | O30 | H271 | 119.9° | 125.7° |
| O25 | C27 | C26 | H271 | 121.8° | 122.6° |
| O25 | C27 | C26 | C28 | 131.1° | 137.0° |
| C27 | O25 | C24 | H241 | 147.9° | 159.5° |
| C27 | O25 | C24 | H242 | 90.3° | 78.1° |
| O25 | C27 | C26 | H261 | 107.3° | 99.9° |
| C23 | C26 | C28 | C29 | 89.7° | 112.1° |
| C23 | C26 | C27 | O30 | 104.1° | 91.7° |
| C23 | C26 | C27 | C28 | 117.5° | 113.8° |
| C23 | C26 | C27 | H261 | 120.9° | 123.1° |
| C23 | C26 | C28 | H261 | 119.9° | 126.0° |
| C26 | C23 | C24 | H241 | 154.6° | 143.3° |
| C26 | C23 | C24 | H242 | 83.7° | 94.3° |
| C23 | C26 | C28 | H281 | 151.2° | 6.5° |
| C23 | C26 | C28 | H282 | 29.4° | 129.1° |
| C23 | C26 | C27 | H271 | 135.4° | 145.7° |
| O30 | C29 | C28 | H291 | 119.4° | 118.6° |
| O30 | C29 | C28 | H292 | 119.4° | 118.9° |
| C29 | O30 | C27 | C26 | 4.3° | 39.6° |
| O30 | C29 | C28 | C26 | 27.8° | 25.2° |
| O30 | C29 | C28 | H281 | 91.4° | 93.4° |
| O30 | C29 | C28 | H282 | 146.8° | 144.0° |
| C29 | O30 | C27 | H271 | 128.5° | 83.1° |
| O30 | C29 | H291 | H292 | 121.7° | 122.4° |
| C28 | C29 | O30 | C27 | 20.3° | 40.9° |
| C29 | C28 | C26 | C27 | 25.3° | 1.8° |
| C29 | C28 | C26 | H281 | 119.1° | 118.6° |
| C29 | C28 | C26 | H282 | 119.1° | 118.8° |
| C29 | C28 | C26 | H261 | 150.3° | 121.8° |
| C29 | C28 | H281 | H282 | 122.6° | 122.7° |
| C28 | C29 | H291 | H292 | 121.7° | 122.6° |
| O30 | C27 | C26 | H271 | 120.5° | 122.6° |
| O30 | C27 | C26 | C28 | 13.4° | 22.2° |
| O30 | C27 | C26 | H261 | 135.0° | 145.3° |
| C27 | O30 | C29 | H291 | 139.7° | 159.3° |
| C27 | O30 | C29 | H292 | 99.1° | 78.3° |
| C36 | C35 | C34 | H351 | 180.0° | 179.9° |
| C36 | C35 | C34 | H341 | 179.4° | 180.0° |
| C35 | C36 | C37 | H371 | 179.8° | 179.8° |
| C27 | C26 | C28 | H261 | 125.0° | 123.6° |
| C27 | C26 | C28 | H281 | 93.8° | 116.8° |
| C27 | C26 | C28 | H282 | 144.4° | 120.6° |
| C27 | C26 | C23 | H231 | 158.4° | 117.9° |
| C35 | C34 | C33 | H331 | 179.7° | 180.0° |
| C34 | C35 | C36 | H361 | 179.7° | 179.9° |
| C26 | C28 | H281 | H282 | 122.6° | 122.5° |
| C28 | C26 | C23 | H231 | 86.5° | 131.7° |
| C28 | C26 | C27 | H271 | 107.1° | 100.4° |
| C26 | C28 | C29 | H291 | 147.2° | 143.9° |
| C26 | C28 | C29 | H292 | 91.7° | 93.7° |
| H131 | C13 | H132 | H133 | 120.0° | 119.9° |
| H131 | C13 | C12 | H121 | 60.7° | 171.7° |
| H132 | C13 | C12 | H121 | 179.3° | 51.8° |
| H133 | C13 | C12 | H121 | 59.3° | 68.3° |
| H151 | C15 | C16 | H161 | 169.9° | 67.2° |
| H152 | C15 | C16 | H161 | 70.3° | 172.9° |
| H241 | C24 | C23 | H231 | 85.8° | 24.6° |
| H242 | C24 | C23 | H231 | 36.0° | 147.0° |
| H261 | C26 | C28 | H281 | 31.2° | 119.5° |
| H261 | C26 | C28 | H282 | 90.6° | 3.0° |
| H261 | C26 | C23 | H231 | 33.8° | 5.7° |
| H261 | C26 | C27 | H271 | 14.5° | 22.7° |
| H281 | C28 | C29 | H291 | 28.0° | 25.2° |
| H281 | C28 | C29 | H292 | 149.2° | 147.7° |
| H282 | C28 | C29 | H291 | 93.8° | 97.4° |
| H282 | C28 | C29 | H292 | 27.4° | 25.0° |
| H021 | C02 | C03 | H031 | 0.2° | 0.1° |
| H051 | C05 | C06 | H061 | 0.0° | 0.1° |
| H111 | C11 | C12 | H121 | 65.0° | 174.2° |
| H112 | C11 | C12 | H121 | 175.6° | 65.8° |
| H121 | C12 | C14 | H143 | 61.0° | 179.9° |
| H121 | C12 | C14 | H141 | 179.0° | 60.0° |
| H121 | C12 | C14 | H142 | 59.0° | 60.0° |
| H143 | C14 | H141 | H142 | 120.0° | 119.9° |
| H161 | C16 | C18 | H181 | 67.4° | 65.0° |
| H161 | C16 | O17 | H171 | 60.6° | 176.3° |
| H181 | C18 | C31 | H312 | 177.9° | 175.0° |
| H181 | C18 | C31 | H311 | 57.4° | 65.0° |
| H181 | C18 | N19 | H191 | 170.0° | 145.0° |
| H331 | C33 | C34 | H341 | 0.3° | 0.0° |
| H341 | C34 | C35 | H351 | 0.6° | 0.0° |
| H351 | C35 | C36 | H361 | 0.3° | 0.0° |
| H361 | C36 | C37 | H371 | 0.2° | 0.0° |
| H391 | C39 | C40 | H401 | 173.1° | 65.0° |
| H391 | C39 | C40 | H402 | 66.4° | 175.0° |
| H391 | C39 | O38 | H381 | 59.1° | 179.9° |
| H401 | C40 | O41 | H411 | 60.2° | 60.1° |
| H402 | C40 | O41 | H411 | 60.2° | 59.9° |
