NJ4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O39 | C40 | sing | 1.43Å | 1.39Å | |
| C40 | C38 | sing | 1.53Å | 1.53Å | |
| C40 | C01 | sing | 1.51Å | 1.56Å | |
| C02 | C01 | doub | 1.38Å | 1.55Å | Aromatic |
| C02 | C03 | sing | 1.38Å | 1.53Å | Aromatic |
| C14 | C12 | sing | 1.53Å | 1.53Å | |
| C01 | C06 | sing | 1.38Å | 1.53Å | Aromatic |
| C03 | C04 | doub | 1.38Å | 1.53Å | Aromatic |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C11 | N10 | sing | 1.47Å | 1.49Å | |
| C12 | C13 | sing | 1.53Å | 1.56Å | |
| O17 | C16 | sing | 1.43Å | 1.38Å | |
| C06 | C05 | doub | 1.38Å | 1.53Å | Aromatic |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | N10 | sing | 1.47Å | 1.50Å | |
| C16 | C18 | sing | 1.53Å | 1.53Å | |
| N10 | S07 | sing | 1.66Å | 1.73Å | |
| C04 | C05 | sing | 1.38Å | 1.54Å | Aromatic |
| C04 | S07 | sing | 1.76Å | 1.85Å | |
| S07 | O08 | doub | 1.42Å | 1.46Å | |
| S07 | O09 | doub | 1.42Å | 1.46Å | |
| C18 | C31 | sing | 1.53Å | 1.52Å | |
| C18 | N19 | sing | 1.47Å | 1.45Å | |
| C31 | C32 | sing | 1.51Å | 1.55Å | |
| N19 | C20 | sing | 1.35Å | 1.48Å | |
| C20 | O22 | sing | 1.35Å | 1.43Å | |
| C20 | O21 | doub | 1.22Å | 1.19Å | |
| C32 | C33 | doub | 1.38Å | 1.55Å | Aromatic |
| C32 | C37 | sing | 1.38Å | 1.54Å | Aromatic |
| O22 | C23 | sing | 1.45Å | 1.43Å | |
| C33 | C34 | sing | 1.38Å | 1.54Å | Aromatic |
| C37 | C36 | doub | 1.38Å | 1.54Å | Aromatic |
| O25 | C24 | sing | 1.44Å | 1.34Å | |
| O25 | C27 | sing | 1.43Å | 1.56Å | |
| C24 | C23 | sing | 1.55Å | 1.65Å | |
| C23 | C26 | sing | 1.55Å | 1.33Å | |
| C29 | O30 | sing | 1.48Å | 1.64Å | |
| C29 | C28 | sing | 1.54Å | 1.32Å | |
| O30 | C27 | sing | 1.44Å | 1.26Å | |
| C34 | C35 | doub | 1.38Å | 1.55Å | Aromatic |
| C27 | C26 | sing | 1.55Å | 1.59Å | |
| C28 | C26 | sing | 1.54Å | 1.51Å | |
| C36 | C35 | sing | 1.38Å | 1.55Å | Aromatic |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H133 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | 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 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | 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 | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C38 | H383 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| N19 | H191 | sing | 0.97Å | 1.00Å | |
| O17 | H171 | sing | 0.97Å | 0.95Å | |
| O39 | H391 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O39 | C40 | C38 | 111.3° | 109.5° |
| O39 | C40 | C01 | 106.5° | 109.5° |
| O39 | C40 | H401 | 111.6° | 109.5° |
| C40 | O39 | H391 | 109.5° | 114.0° |
| C38 | C40 | C01 | 108.6° | 109.5° |
| C40 | C38 | H382 | 109.5° | 109.5° |
| C40 | C38 | H381 | 109.5° | 109.5° |
| C40 | C38 | H383 | 109.5° | 109.5° |
| C38 | C40 | H401 | 109.5° | 109.5° |
| C40 | C01 | C02 | 119.1° | 120.0° |
| C40 | C01 | C06 | 119.4° | 120.1° |
| C01 | C40 | H401 | 109.2° | 109.4° |
| C01 | C02 | C03 | 119.4° | 120.0° |
| C02 | C01 | C06 | 121.6° | 119.9° |
| C01 | C02 | H021 | 120.3° | 120.0° |
| C02 | C03 | C04 | 118.5° | 120.0° |
| C03 | C02 | H021 | 120.3° | 119.9° |
| C02 | C03 | H031 | 120.8° | 120.0° |
| C14 | C12 | C11 | 108.5° | 109.5° |
| C14 | C12 | C13 | 109.4° | 109.5° |
| C14 | C12 | H121 | 109.6° | 109.5° |
| C12 | C14 | H142 | 109.5° | 109.4° |
| C12 | C14 | H143 | 109.5° | 109.4° |
| C12 | C14 | H141 | 109.5° | 109.5° |
| C01 | C06 | C05 | 119.1° | 120.1° |
| C01 | C06 | H061 | 120.5° | 120.0° |
| C03 | C04 | C05 | 122.2° | 120.0° |
| C03 | C04 | S07 | 119.9° | 120.0° |
| C04 | C03 | H031 | 120.7° | 120.0° |
| C12 | C11 | N10 | 110.8° | 109.5° |
| C11 | C12 | C13 | 110.5° | 109.5° |
| C12 | C11 | H111 | 109.2° | 109.4° |
| C12 | C11 | H112 | 109.1° | 109.5° |
| C11 | C12 | H121 | 109.5° | 109.5° |
| C11 | N10 | C15 | 117.6° | 120.0° |
| C11 | N10 | S07 | 116.0° | 120.0° |
| N10 | C11 | H111 | 109.1° | 109.5° |
| N10 | C11 | H112 | 109.2° | 109.5° |
| C12 | C13 | H132 | 109.5° | 109.4° |
| C12 | C13 | H133 | 109.5° | 109.5° |
| C12 | C13 | H131 | 109.5° | 109.5° |
| C13 | C12 | H121 | 109.3° | 109.5° |
| O17 | C16 | C15 | 110.2° | 109.4° |
| O17 | C16 | C18 | 110.5° | 109.5° |
| O17 | C16 | H161 | 110.0° | 109.5° |
| C16 | O17 | H171 | 109.5° | 114.0° |
| C06 | C05 | C04 | 119.2° | 120.0° |
| C06 | C05 | H051 | 120.4° | 120.1° |
| C05 | C06 | H061 | 120.4° | 120.0° |
| C16 | C15 | N10 | 108.6° | 109.5° |
| C15 | C16 | C18 | 110.3° | 109.4° |
| C16 | C15 | H152 | 109.7° | 109.5° |
| C16 | C15 | H151 | 109.7° | 109.5° |
| C15 | C16 | H161 | 107.9° | 109.5° |
| C15 | N10 | S07 | 115.5° | 120.0° |
| N10 | C15 | H152 | 109.7° | 109.5° |
| N10 | C15 | H151 | 109.7° | 109.4° |
| C16 | C18 | C31 | 112.1° | 109.5° |
| C16 | C18 | N19 | 107.7° | 109.5° |
| C18 | C16 | H161 | 107.9° | 109.5° |
| C16 | C18 | H181 | 109.8° | 109.5° |
| N10 | S07 | C04 | 106.6° | 107.2° |
| N10 | S07 | O08 | 111.4° | 106.4° |
| N10 | S07 | O09 | 112.0° | 106.4° |
| C05 | C04 | S07 | 117.9° | 120.0° |
| C04 | C05 | H051 | 120.4° | 120.0° |
| C04 | S07 | O08 | 111.2° | 106.4° |
| C04 | S07 | O09 | 109.9° | 106.4° |
| O08 | S07 | O09 | 105.9° | 123.1° |
| C31 | C18 | N19 | 106.2° | 109.4° |
| C18 | C31 | C32 | 108.6° | 109.5° |
| C31 | C18 | H181 | 109.9° | 109.5° |
| C18 | C31 | H312 | 109.7° | 109.4° |
| C18 | C31 | H311 | 109.7° | 109.5° |
| C18 | N19 | C20 | 122.4° | 120.0° |
| N19 | C18 | H181 | 111.0° | 109.5° |
| C18 | N19 | H191 | 118.8° | 120.0° |
| C31 | C32 | C33 | 119.2° | 120.0° |
| C31 | C32 | C37 | 120.3° | 120.0° |
| C32 | C31 | H312 | 109.7° | 109.5° |
| C32 | C31 | H311 | 109.7° | 109.5° |
| N19 | C20 | O22 | 114.7° | 120.0° |
| N19 | C20 | O21 | 122.6° | 120.0° |
| C20 | N19 | H191 | 118.8° | 120.0° |
| O22 | C20 | O21 | 122.7° | 120.0° |
| C20 | O22 | C23 | 118.9° | 117.0° |
| C33 | C32 | C37 | 120.5° | 120.0° |
| C32 | C33 | C34 | 119.9° | 120.0° |
| C32 | C33 | H331 | 120.1° | 120.0° |
| C32 | C37 | C36 | 119.6° | 120.0° |
| C32 | C37 | H371 | 120.2° | 120.0° |
| O22 | C23 | C24 | 106.2° | 111.1° |
| O22 | C23 | C26 | 112.5° | 111.2° |
| O22 | C23 | H231 | 111.6° | 111.0° |
| C33 | C34 | C35 | 119.8° | 120.0° |
| C34 | C33 | H331 | 120.1° | 120.0° |
| C33 | C34 | H341 | 120.1° | 120.0° |
| C37 | C36 | C35 | 120.0° | 120.0° |
| C37 | C36 | H361 | 120.0° | 120.0° |
| C36 | C37 | H371 | 120.2° | 120.0° |
| C24 | O25 | C27 | 104.5° | 110.2° |
| O25 | C24 | C23 | 103.9° | 105.2° |
| O25 | C24 | H242 | 110.8° | 110.3° |
| O25 | C24 | H241 | 110.9° | 110.4° |
| O25 | C27 | O30 | 111.2° | 108.4° |
| O25 | C27 | C26 | 105.0° | 107.1° |
| O25 | C27 | H271 | 109.4° | 112.5° |
| C24 | C23 | C26 | 104.1° | 101.0° |
| C23 | C24 | H242 | 110.9° | 110.3° |
| C23 | C24 | H241 | 110.9° | 110.3° |
| C24 | C23 | H231 | 108.5° | 111.1° |
| C23 | C26 | C27 | 104.9° | 102.2° |
| C23 | C26 | C28 | 115.2° | 109.1° |
| C23 | C26 | H261 | 112.8° | 113.2° |
| C26 | C23 | H231 | 113.3° | 111.1° |
| O30 | C29 | C28 | 107.1° | 104.3° |
| C29 | O30 | C27 | 108.8° | 105.4° |
| O30 | C29 | H291 | 110.1° | 110.4° |
| O30 | C29 | H292 | 110.1° | 110.3° |
| C29 | C28 | C26 | 106.2° | 104.1° |
| C29 | C28 | H281 | 110.3° | 110.5° |
| C29 | C28 | H282 | 110.3° | 110.6° |
| C28 | C29 | H291 | 110.1° | 110.3° |
| C28 | C29 | H292 | 110.1° | 111.0° |
| O30 | C27 | C26 | 107.5° | 104.9° |
| O30 | C27 | H271 | 114.4° | 111.8° |
| C34 | C35 | C36 | 120.2° | 120.0° |
| C35 | C34 | H341 | 120.1° | 120.0° |
| C34 | C35 | H351 | 119.9° | 120.0° |
| C27 | C26 | C28 | 104.5° | 105.1° |
| C27 | C26 | H261 | 108.9° | 113.4° |
| C26 | C27 | H271 | 109.0° | 111.8° |
| C28 | C26 | H261 | 110.0° | 113.1° |
| C26 | C28 | H281 | 110.3° | 110.5° |
| C26 | C28 | H282 | 110.3° | 110.6° |
| C36 | C35 | H351 | 119.9° | 120.0° |
| C35 | C36 | H361 | 120.0° | 120.0° |
| H132 | C13 | H133 | 109.4° | 109.5° |
| H132 | C13 | H131 | 109.5° | 109.5° |
| H133 | C13 | H131 | 109.5° | 109.5° |
| H152 | C15 | H151 | 109.5° | 109.5° |
| H242 | C24 | H241 | 109.5° | 110.2° |
| H281 | C28 | H282 | 109.5° | 110.4° |
| H111 | C11 | H112 | 109.4° | 109.5° |
| H142 | C14 | H143 | 109.5° | 109.4° |
| H142 | C14 | H141 | 109.5° | 109.5° |
| H143 | C14 | H141 | 109.4° | 109.5° |
| H291 | C29 | H292 | 109.5° | 110.4° |
| H312 | C31 | H311 | 109.5° | 109.4° |
| H382 | C38 | H381 | 109.4° | 109.5° |
| H382 | C38 | H383 | 109.5° | 109.4° |
| H381 | C38 | H383 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O39 | C40 | C38 | C01 | 117.0° | 120.0° |
| O39 | C40 | C38 | H401 | 123.9° | 120.0° |
| O39 | C40 | C01 | H401 | 120.7° | 119.9° |
| O39 | C40 | C01 | C02 | 63.9° | 40.3° |
| O39 | C40 | C01 | C06 | 115.3° | 140.0° |
| O39 | C40 | C38 | H382 | 180.0° | 60.0° |
| O39 | C40 | C38 | H381 | 60.0° | 60.0° |
| O39 | C40 | C38 | H383 | 60.0° | 179.9° |
| C38 | C40 | C01 | H401 | 119.4° | 120.0° |
| C38 | C40 | C01 | C02 | 56.1° | 79.7° |
| C38 | C40 | C01 | C06 | 124.8° | 100.0° |
| C40 | C38 | H382 | H381 | 120.0° | 120.0° |
| C40 | C38 | H382 | H383 | 120.0° | 120.0° |
| C40 | C38 | H381 | H383 | 120.0° | 120.1° |
| C38 | C40 | O39 | H391 | 180.0° | 60.0° |
| C40 | C01 | C02 | C06 | 179.1° | 179.7° |
| C40 | C01 | C02 | C03 | 179.6° | 179.7° |
| C40 | C01 | C06 | C05 | 179.6° | 179.7° |
| C40 | C01 | C02 | H021 | 0.5° | 0.3° |
| C40 | C01 | C06 | H061 | 0.3° | 0.3° |
| C01 | C40 | C38 | H382 | 63.0° | 60.0° |
| C01 | C40 | C38 | H381 | 57.0° | 180.0° |
| C01 | C40 | C38 | H383 | 177.0° | 59.9° |
| C01 | C40 | O39 | H391 | 61.8° | 60.1° |
| C01 | C02 | C03 | H021 | 180.0° | 180.0° |
| C01 | C02 | C03 | C04 | 0.2° | 0.0° |
| C02 | C01 | C06 | C05 | 0.5° | 0.0° |
| C01 | C02 | C03 | H031 | 179.8° | 179.9° |
| C02 | C01 | C06 | H061 | 179.5° | 180.0° |
| C02 | C01 | C40 | H401 | 175.4° | 160.3° |
| C03 | C02 | C01 | C06 | 0.4° | 0.0° |
| C02 | C03 | C04 | H031 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 0.7° | 0.1° |
| C02 | C03 | C04 | S07 | 179.6° | 180.0° |
| C14 | C12 | C11 | C13 | 119.9° | 120.0° |
| C14 | C12 | C11 | H121 | 119.7° | 120.0° |
| C14 | C12 | C11 | N10 | 179.5° | 174.1° |
| C14 | C12 | C13 | H121 | 120.1° | 120.0° |
| C14 | C12 | C13 | H132 | 180.0° | 171.7° |
| C14 | C12 | C13 | H133 | 60.0° | 51.8° |
| C14 | C12 | C13 | H131 | 60.0° | 68.3° |
| C14 | C12 | C11 | H111 | 59.3° | 65.9° |
| C14 | C12 | C11 | H112 | 60.3° | 54.2° |
| C12 | C14 | H142 | H143 | 120.0° | 119.9° |
| C12 | C14 | H142 | H141 | 120.0° | 120.0° |
| C12 | C14 | H143 | H141 | 120.0° | 120.0° |
| C01 | C06 | C05 | H061 | 180.0° | 180.0° |
| C01 | C06 | C05 | C04 | 0.0° | 0.0° |
| C06 | C01 | C02 | H021 | 179.6° | 180.0° |
| C01 | C06 | C05 | H051 | 180.0° | 180.0° |
| C06 | C01 | C40 | H401 | 5.4° | 20.0° |
| C03 | C04 | C05 | C06 | 0.6° | 0.1° |
| C03 | C04 | S07 | N10 | 74.5° | 84.9° |
| C03 | C04 | C05 | S07 | 178.9° | 180.0° |
| C03 | C04 | S07 | O08 | 47.0° | 161.6° |
| C03 | C04 | S07 | O09 | 164.0° | 28.7° |
| C04 | C03 | C02 | H021 | 179.8° | 180.0° |
| C03 | C04 | C05 | H051 | 179.4° | 180.0° |
| C12 | C11 | N10 | H111 | 120.2° | 120.0° |
| C12 | C11 | N10 | H112 | 120.2° | 120.0° |
| C11 | C12 | C13 | H121 | 120.6° | 120.0° |
| C12 | C11 | N10 | C15 | 82.7° | 87.1° |
| C12 | C11 | N10 | S07 | 134.4° | 92.9° |
| C11 | C12 | C13 | H132 | 60.6° | 68.3° |
| C11 | C12 | C13 | H133 | 59.3° | 171.7° |
| C11 | C12 | C13 | H131 | 179.3° | 51.7° |
| C12 | C11 | H111 | H112 | 119.4° | 120.0° |
| C11 | C12 | C14 | H142 | 180.0° | 60.0° |
| C11 | C12 | C14 | H143 | 60.0° | 180.0° |
| C11 | C12 | C14 | H141 | 60.0° | 60.0° |
| N10 | C11 | C12 | C13 | 60.6° | 65.9° |
| C11 | N10 | C15 | C16 | 106.9° | 82.1° |
| C11 | N10 | C15 | S07 | 143.1° | 180.0° |
| C11 | N10 | S07 | C04 | 53.0° | 83.5° |
| C11 | N10 | S07 | O08 | 174.4° | 162.9° |
| C11 | N10 | S07 | O09 | 67.2° | 30.0° |
| C11 | N10 | C15 | H152 | 133.2° | 37.9° |
| C11 | N10 | C15 | H151 | 12.9° | 157.9° |
| N10 | C11 | H111 | H112 | 119.4° | 120.0° |
| N10 | C11 | C12 | H121 | 59.9° | 54.1° |
| C12 | C13 | H132 | H133 | 120.0° | 120.0° |
| C12 | C13 | H132 | H131 | 120.0° | 120.0° |
| C12 | C13 | H133 | H131 | 120.0° | 120.0° |
| C13 | C12 | C11 | H111 | 179.2° | 54.1° |
| C13 | C12 | C11 | H112 | 59.6° | 174.2° |
| C13 | C12 | C14 | H142 | 59.4° | 60.0° |
| C13 | C12 | C14 | H143 | 60.6° | 60.0° |
| C13 | C12 | C14 | H141 | 179.5° | 180.0° |
| O17 | C16 | C15 | C18 | 122.2° | 120.0° |
| O17 | C16 | C15 | H161 | 120.1° | 120.0° |
| O17 | C16 | C15 | N10 | 167.2° | 67.1° |
| O17 | C16 | C18 | H161 | 120.3° | 120.1° |
| O17 | C16 | C18 | C31 | 54.4° | 55.0° |
| O17 | C16 | C18 | N19 | 62.1° | 65.0° |
| O17 | C16 | C15 | H152 | 72.9° | 172.9° |
| O17 | C16 | C15 | H151 | 47.3° | 52.9° |
| O17 | C16 | C18 | H181 | 176.9° | 175.0° |
| C06 | C05 | C04 | H051 | 180.0° | 180.0° |
| C06 | C05 | C04 | S07 | 179.5° | 180.0° |
| C16 | C15 | N10 | H152 | 119.9° | 120.0° |
| C16 | C15 | N10 | H151 | 119.9° | 120.0° |
| C15 | C16 | C18 | H161 | 117.7° | 120.0° |
| C16 | C15 | N10 | S07 | 110.0° | 97.9° |
| C15 | C16 | C18 | C31 | 67.7° | 65.0° |
| C15 | C16 | C18 | N19 | 175.8° | 175.0° |
| C16 | C15 | H152 | H151 | 120.4° | 120.0° |
| C15 | C16 | C18 | H181 | 54.8° | 55.0° |
| C15 | C16 | O17 | H171 | 180.0° | 63.7° |
| N10 | C15 | C16 | C18 | 70.6° | 172.9° |
| C15 | N10 | S07 | C04 | 90.6° | 96.5° |
| C15 | N10 | S07 | O08 | 30.8° | 17.1° |
| C15 | N10 | S07 | O09 | 149.2° | 150.0° |
| N10 | C15 | H152 | H151 | 120.4° | 120.0° |
| C15 | N10 | C11 | H111 | 37.5° | 32.8° |
| C15 | N10 | C11 | H112 | 157.1° | 152.9° |
| N10 | C15 | C16 | H161 | 47.1° | 52.9° |
| C16 | C18 | C31 | N19 | 117.4° | 120.0° |
| C16 | C18 | C31 | H181 | 122.4° | 120.0° |
| C16 | C18 | N19 | H181 | 120.2° | 120.0° |
| C16 | C18 | C31 | C32 | 172.3° | 175.0° |
| C16 | C18 | N19 | C20 | 108.8° | 155.0° |
| C18 | C16 | C15 | H152 | 49.3° | 52.9° |
| C18 | C16 | C15 | H151 | 169.6° | 67.1° |
| C16 | C18 | C31 | H312 | 52.5° | 65.0° |
| C16 | C18 | C31 | H311 | 67.8° | 55.0° |
| C16 | C18 | N19 | H191 | 71.2° | 25.0° |
| C18 | C16 | O17 | H171 | 57.8° | 56.3° |
| N10 | S07 | C04 | C05 | 104.4° | 95.2° |
| N10 | S07 | C04 | O08 | 121.6° | 113.6° |
| N10 | S07 | C04 | O09 | 121.5° | 113.6° |
| N10 | S07 | O08 | O09 | 122.0° | 123.0° |
| S07 | N10 | C15 | H152 | 9.9° | 142.1° |
| S07 | N10 | C15 | H151 | 130.1° | 22.1° |
| S07 | N10 | C11 | H111 | 105.3° | 147.2° |
| S07 | N10 | C11 | H112 | 14.2° | 27.1° |
| C05 | C04 | S07 | O08 | 134.0° | 18.4° |
| C05 | C04 | S07 | O09 | 17.1° | 151.3° |
| C05 | C04 | C03 | H031 | 179.3° | 179.9° |
| C04 | C05 | C06 | H061 | 180.0° | 179.9° |
| C04 | S07 | O08 | O09 | 119.4° | 122.9° |
| S07 | C04 | C03 | H031 | 0.4° | 0.1° |
| S07 | C04 | C05 | H051 | 0.5° | 0.0° |
| C31 | C18 | N19 | H181 | 119.5° | 120.0° |
| C18 | C31 | C32 | H312 | 119.9° | 120.0° |
| C18 | C31 | C32 | H311 | 119.9° | 120.0° |
| C31 | C18 | N19 | C20 | 130.9° | 85.0° |
| C18 | C31 | C32 | C33 | 107.8° | 90.0° |
| C18 | C31 | C32 | C37 | 72.3° | 90.3° |
| C31 | C18 | C16 | H161 | 174.7° | 175.0° |
| C18 | C31 | H312 | H311 | 120.4° | 120.0° |
| C31 | C18 | N19 | H191 | 49.1° | 95.0° |
| N19 | C18 | C31 | C32 | 54.9° | 65.0° |
| C18 | N19 | C20 | H191 | 180.0° | 180.0° |
| C18 | N19 | C20 | O22 | 174.7° | 180.0° |
| C18 | N19 | C20 | O21 | 5.8° | 0.0° |
| N19 | C18 | C16 | H161 | 58.1° | 55.0° |
| N19 | C18 | C31 | H312 | 64.9° | 55.0° |
| N19 | C18 | C31 | H311 | 174.8° | 175.0° |
| C31 | C32 | C33 | C37 | 179.9° | 179.7° |
| C31 | C32 | C33 | C34 | 180.0° | 180.0° |
| C31 | C32 | C37 | C36 | 180.0° | 179.8° |
| C32 | C31 | C18 | H181 | 65.3° | 55.0° |
| C32 | C31 | H312 | H311 | 120.4° | 120.0° |
| C31 | C32 | C33 | H331 | 0.0° | 0.1° |
| C31 | C32 | C37 | H371 | 0.0° | 0.0° |
| N19 | C20 | O22 | O21 | 179.5° | 180.0° |
| N19 | C20 | O22 | C23 | 162.3° | 180.0° |
| C20 | N19 | C18 | H181 | 11.4° | 35.0° |
| C20 | O22 | C23 | C24 | 143.5° | 91.4° |
| C20 | O22 | C23 | C26 | 103.3° | 157.0° |
| C20 | O22 | C23 | H231 | 25.4° | 32.8° |
| O22 | C20 | N19 | H191 | 5.3° | 0.0° |
| O21 | C20 | O22 | C23 | 17.2° | 0.0° |
| O21 | C20 | N19 | H191 | 174.2° | 180.0° |
| C32 | C33 | C34 | H331 | 180.0° | 179.9° |
| C33 | C32 | C37 | C36 | 0.1° | 0.6° |
| C32 | C33 | C34 | C35 | 0.0° | 0.0° |
| C33 | C32 | C31 | H312 | 12.0° | 30.0° |
| C33 | C32 | C31 | H311 | 132.3° | 150.0° |
| C32 | C33 | C34 | H341 | 180.0° | 179.9° |
| C33 | C32 | C37 | H371 | 179.9° | 179.7° |
| C37 | C32 | C33 | C34 | 0.1° | 0.3° |
| C32 | C37 | C36 | H371 | 180.0° | 179.7° |
| C32 | C37 | C36 | C35 | 0.1° | 0.5° |
| C37 | C32 | C31 | H312 | 167.9° | 149.7° |
| C37 | C32 | C31 | H311 | 47.6° | 29.7° |
| C37 | C32 | C33 | H331 | 179.9° | 179.7° |
| C32 | C37 | C36 | H361 | 179.9° | 179.7° |
| O22 | C23 | C24 | O25 | 74.1° | 81.3° |
| O22 | C23 | C24 | C26 | 118.9° | 118.0° |
| O22 | C23 | C24 | H231 | 120.0° | 124.1° |
| O22 | C23 | C26 | H231 | 127.7° | 124.1° |
| O22 | C23 | C26 | C27 | 83.5° | 83.4° |
| O22 | C23 | C26 | C28 | 30.8° | 27.5° |
| O22 | C23 | C24 | H242 | 45.0° | 159.7° |
| O22 | C23 | C24 | H241 | 166.8° | 37.7° |
| O22 | C23 | C26 | H261 | 158.2° | 154.3° |
| C33 | C34 | C35 | H341 | 180.0° | 179.9° |
| C33 | C34 | C35 | C36 | 0.0° | 0.0° |
| C33 | C34 | C35 | H351 | 180.0° | 180.0° |
| C37 | C36 | C35 | C34 | 0.0° | 0.2° |
| C37 | C36 | C35 | H361 | 180.0° | 179.8° |
| C37 | C36 | C35 | H351 | 180.0° | 179.8° |
| O25 | C24 | C23 | H242 | 119.1° | 118.9° |
| O25 | C24 | C23 | H241 | 119.1° | 119.0° |
| O25 | C24 | C23 | C26 | 44.8° | 36.7° |
| C24 | O25 | C27 | O30 | 133.1° | 114.0° |
| C24 | O25 | C27 | C26 | 17.2° | 1.3° |
| O25 | C24 | H242 | H241 | 122.6° | 122.2° |
| O25 | C24 | C23 | H231 | 165.9° | 154.5° |
| C24 | O25 | C27 | H271 | 99.7° | 121.9° |
| C27 | O25 | C24 | C23 | 34.3° | 24.3° |
| O25 | C27 | C26 | C23 | 12.1° | 21.8° |
| O25 | C27 | O30 | C29 | 116.2° | 152.1° |
| O25 | C27 | O30 | C26 | 114.3° | 114.1° |
| O25 | C27 | O30 | H271 | 124.4° | 124.5° |
| O25 | C27 | C26 | H271 | 117.1° | 123.6° |
| O25 | C27 | C26 | C28 | 133.7° | 135.7° |
| C27 | O25 | C24 | H242 | 153.4° | 94.7° |
| C27 | O25 | C24 | H241 | 84.8° | 143.2° |
| O25 | C27 | C26 | H261 | 108.9° | 100.3° |
| C24 | C23 | C26 | H231 | 117.8° | 117.9° |
| C24 | C23 | C26 | C27 | 31.0° | 34.5° |
| C24 | C23 | C26 | C28 | 145.3° | 145.5° |
| C23 | C24 | H242 | H241 | 122.6° | 122.1° |
| C24 | C23 | C26 | H261 | 87.3° | 87.8° |
| C23 | C26 | C28 | C29 | 90.2° | 112.5° |
| C23 | C26 | C27 | O30 | 106.3° | 93.2° |
| C23 | C26 | C27 | C28 | 121.6° | 113.9° |
| C23 | C26 | C27 | H261 | 120.9° | 122.2° |
| C23 | C26 | C28 | H261 | 128.8° | 126.8° |
| C26 | C23 | C24 | H242 | 163.9° | 82.3° |
| C26 | C23 | C24 | H241 | 74.3° | 155.7° |
| C23 | C26 | C28 | H281 | 150.3° | 6.2° |
| C23 | C26 | C28 | H282 | 29.3° | 128.6° |
| C23 | C26 | C27 | H271 | 129.2° | 145.5° |
| O30 | C29 | C28 | H291 | 119.6° | 118.5° |
| O30 | C29 | C28 | H292 | 119.6° | 118.8° |
| C29 | O30 | C27 | C26 | 1.9° | 38.0° |
| O30 | C29 | C28 | C26 | 23.2° | 25.9° |
| O30 | C29 | C28 | H281 | 96.3° | 92.7° |
| O30 | C29 | C28 | H282 | 142.6° | 144.7° |
| C29 | O30 | C27 | H271 | 119.3° | 83.3° |
| O30 | C29 | H291 | H292 | 121.1° | 122.2° |
| C28 | C29 | O30 | C27 | 14.1° | 40.5° |
| C29 | C28 | C26 | C27 | 24.3° | 3.5° |
| C29 | C28 | C26 | H281 | 119.5° | 118.6° |
| C29 | C28 | C26 | H282 | 119.5° | 118.9° |
| C29 | C28 | C26 | H261 | 141.0° | 120.7° |
| C29 | C28 | H281 | H282 | 121.5° | 122.7° |
| C28 | C29 | H291 | H292 | 121.1° | 123.0° |
| O30 | C27 | C26 | H271 | 124.5° | 121.4° |
| O30 | C27 | C26 | C28 | 15.3° | 20.7° |
| O30 | C27 | C26 | H261 | 132.7° | 144.7° |
| C27 | O30 | C29 | H291 | 133.8° | 159.0° |
| C27 | O30 | C29 | H292 | 105.5° | 78.8° |
| C34 | C35 | C36 | H351 | 180.0° | 180.0° |
| C35 | C34 | C33 | H331 | 180.0° | 180.0° |
| C34 | C35 | C36 | H361 | 180.0° | 180.0° |
| C27 | C26 | C28 | H261 | 116.7° | 124.1° |
| C27 | C26 | C28 | H281 | 95.2° | 115.2° |
| C27 | C26 | C28 | H282 | 143.8° | 122.3° |
| C27 | C26 | C23 | H231 | 148.8° | 152.4° |
| C26 | C28 | H281 | H282 | 121.5° | 122.6° |
| C28 | C26 | C23 | H231 | 97.0° | 96.6° |
| C28 | C26 | C27 | H271 | 109.2° | 100.6° |
| C26 | C28 | C29 | H291 | 142.8° | 144.5° |
| C26 | C28 | C29 | H292 | 96.5° | 92.9° |
| C36 | C35 | C34 | H341 | 180.0° | 180.0° |
| C35 | C36 | C37 | H371 | 179.9° | 179.8° |
| H132 | C13 | H133 | H131 | 120.0° | 120.0° |
| H132 | C13 | C12 | H121 | 59.9° | 51.7° |
| H133 | C13 | C12 | H121 | 179.9° | 68.2° |
| H131 | C13 | C12 | H121 | 60.1° | 171.7° |
| H152 | C15 | C16 | H161 | 167.0° | 67.1° |
| H151 | C15 | C16 | H161 | 72.8° | 172.9° |
| H242 | C24 | C23 | H231 | 75.0° | 35.6° |
| H241 | C24 | C23 | H231 | 46.8° | 86.4° |
| H261 | C26 | C28 | H281 | 21.5° | 120.7° |
| H261 | C26 | C28 | H282 | 99.5° | 1.8° |
| H261 | C26 | C23 | H231 | 30.5° | 30.1° |
| H261 | C26 | C27 | H271 | 8.2° | 23.3° |
| H281 | C28 | C29 | H291 | 23.3° | 25.8° |
| H281 | C28 | C29 | H292 | 144.0° | 148.5° |
| H282 | C28 | C29 | H291 | 97.7° | 96.7° |
| H282 | C28 | C29 | H292 | 23.0° | 25.9° |
| H021 | C02 | C03 | H031 | 0.2° | 0.0° |
| H051 | C05 | C06 | H061 | 0.0° | 0.1° |
| H111 | C11 | C12 | H121 | 60.4° | 174.2° |
| H112 | C11 | C12 | H121 | 179.9° | 65.8° |
| H121 | C12 | C14 | H142 | 60.4° | 180.0° |
| H121 | C12 | C14 | H143 | 179.5° | 60.0° |
| H121 | C12 | C14 | H141 | 59.6° | 60.0° |
| H142 | C14 | H143 | H141 | 120.0° | 120.1° |
| H161 | C16 | C18 | H181 | 62.8° | 65.0° |
| H161 | C16 | O17 | H171 | 61.2° | 176.3° |
| H181 | C18 | C31 | H312 | 174.9° | 175.0° |
| H181 | C18 | C31 | H311 | 54.6° | 65.0° |
| H181 | C18 | N19 | H191 | 168.6° | 145.0° |
| H331 | C33 | C34 | H341 | 0.0° | 0.0° |
| H341 | C34 | C35 | H351 | 0.0° | 0.0° |
| H351 | C35 | C36 | H361 | 0.0° | 0.0° |
| H361 | C36 | C37 | H371 | 0.1° | 0.0° |
| H382 | C38 | H381 | H383 | 120.0° | 119.9° |
| H382 | C38 | C40 | H401 | 56.1° | 180.0° |
| H381 | C38 | C40 | H401 | 176.1° | 60.0° |
| H383 | C38 | C40 | H401 | 63.9° | 60.0° |
| H401 | C40 | O39 | H391 | 57.4° | 180.0° |
