98M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C31 | N30 | sing | 1.47Å | 1.49Å | |
| N30 | C29 | sing | 1.47Å | 1.49Å | |
| N30 | C32 | sing | 1.47Å | 1.49Å | |
| C14 | C11 | sing | 1.53Å | 1.55Å | |
| C29 | C28 | sing | 1.53Å | 1.55Å | |
| C32 | C33 | sing | 1.53Å | 1.55Å | |
| C15 | C16 | doub | 1.39Å | 1.41Å | Aromatic |
| C15 | C10 | sing | 1.38Å | 1.41Å | Aromatic |
| C12 | C11 | sing | 1.53Å | 1.56Å | |
| C28 | N27 | sing | 1.47Å | 1.45Å | |
| C11 | C10 | sing | 1.51Å | 1.50Å | |
| C11 | O13 | sing | 1.43Å | 1.43Å | |
| C16 | C17 | sing | 1.38Å | 1.41Å | Aromatic |
| C33 | N27 | sing | 1.47Å | 1.44Å | |
| C10 | N09 | doub | 1.32Å | 1.35Å | Aromatic |
| N27 | C26 | sing | 1.40Å | 1.38Å | |
| C17 | C08 | doub | 1.39Å | 1.41Å | Aromatic |
| N09 | C08 | sing | 1.32Å | 1.35Å | Aromatic |
| C34 | C26 | doub | 1.39Å | 1.41Å | Aromatic |
| C34 | C35 | sing | 1.38Å | 1.40Å | Aromatic |
| C26 | C24 | sing | 1.39Å | 1.42Å | Aromatic |
| C08 | N07 | sing | 1.39Å | 1.36Å | |
| C05 | C06 | doub | 1.31Å | 1.34Å | |
| C05 | C04 | sing | 1.51Å | 1.46Å | |
| C35 | C22 | doub | 1.39Å | 1.42Å | Aromatic |
| C24 | CL25 | sing | 1.74Å | 1.69Å | |
| C24 | C23 | doub | 1.38Å | 1.41Å | Aromatic |
| N07 | N03 | sing | 1.40Å | 1.33Å | |
| N07 | C18 | sing | 1.38Å | 1.34Å | |
| C04 | N03 | sing | 1.47Å | 1.44Å | |
| C22 | C23 | sing | 1.39Å | 1.41Å | Aromatic |
| C22 | N21 | sing | 1.40Å | 1.37Å | |
| N03 | C02 | sing | 1.35Å | 1.35Å | |
| N19 | C18 | doub | 1.32Å | 1.35Å | Aromatic |
| N19 | C20 | sing | 1.33Å | 1.36Å | Aromatic |
| C18 | C38 | sing | 1.41Å | 1.38Å | Aromatic |
| N21 | C20 | sing | 1.38Å | 1.36Å | |
| C20 | N36 | doub | 1.33Å | 1.36Å | Aromatic |
| C02 | C38 | sing | 1.47Å | 1.38Å | |
| C02 | O01 | doub | 1.22Å | 1.25Å | |
| C38 | C37 | doub | 1.39Å | 1.40Å | Aromatic |
| N36 | C37 | sing | 1.32Å | 1.36Å | Aromatic |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C06 | H062 | sing | 1.08Å | 1.08Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H123 | sing | 1.09Å | 1.10Å | |
| O13 | H131 | sing | 0.97Å | 0.95Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| N21 | H211 | sing | 0.97Å | 1.00Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H313 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.08Å | 1.08Å | |
| C35 | H351 | sing | 1.08Å | 1.08Å | |
| C37 | H371 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C31 | N30 | C29 | 111.4° | 111.1° |
| C31 | N30 | C32 | 112.2° | 111.0° |
| N30 | C31 | H312 | 109.5° | 109.5° |
| N30 | C31 | H311 | 109.4° | 109.5° |
| N30 | C31 | H313 | 109.5° | 109.4° |
| C29 | N30 | C32 | 112.7° | 110.9° |
| N30 | C29 | C28 | 111.1° | 109.4° |
| N30 | C29 | H292 | 109.1° | 109.5° |
| N30 | C29 | H291 | 109.1° | 109.5° |
| N30 | C32 | C33 | 111.6° | 109.3° |
| N30 | C32 | H322 | 109.0° | 109.5° |
| N30 | C32 | H321 | 108.9° | 109.5° |
| C14 | C11 | C12 | 111.4° | 109.5° |
| C14 | C11 | C10 | 112.0° | 109.4° |
| C14 | C11 | O13 | 105.8° | 109.5° |
| C11 | C14 | H142 | 109.5° | 109.5° |
| C11 | C14 | H141 | 109.5° | 109.5° |
| C11 | C14 | H143 | 109.5° | 109.5° |
| C29 | C28 | N27 | 111.3° | 109.3° |
| C29 | C28 | H281 | 109.0° | 109.5° |
| C29 | C28 | H282 | 109.0° | 109.5° |
| C28 | C29 | H292 | 109.1° | 109.5° |
| C28 | C29 | H291 | 109.1° | 109.6° |
| C32 | C33 | N27 | 111.0° | 109.4° |
| C33 | C32 | H322 | 108.9° | 109.5° |
| C33 | C32 | H321 | 108.9° | 109.5° |
| C32 | C33 | H331 | 109.1° | 109.5° |
| C32 | C33 | H332 | 109.1° | 109.5° |
| C16 | C15 | C10 | 119.5° | 119.3° |
| C15 | C16 | C17 | 120.4° | 118.6° |
| C16 | C15 | H151 | 120.2° | 120.4° |
| C15 | C16 | H161 | 119.8° | 120.7° |
| C15 | C10 | C11 | 126.2° | 119.6° |
| C15 | C10 | N09 | 117.0° | 120.8° |
| C10 | C15 | H151 | 120.2° | 120.3° |
| C12 | C11 | C10 | 110.0° | 109.5° |
| C12 | C11 | O13 | 106.7° | 109.5° |
| C11 | C12 | H122 | 109.5° | 109.4° |
| C11 | C12 | H121 | 109.5° | 109.5° |
| C11 | C12 | H123 | 109.4° | 109.4° |
| C28 | N27 | C33 | 117.0° | 110.9° |
| C28 | N27 | C26 | 117.4° | 111.0° |
| N27 | C28 | H281 | 109.0° | 109.5° |
| N27 | C28 | H282 | 109.0° | 109.5° |
| C10 | C11 | O13 | 110.8° | 109.5° |
| C11 | C10 | N09 | 116.7° | 119.6° |
| C11 | O13 | H131 | 109.5° | 114.0° |
| C16 | C17 | C08 | 118.7° | 119.1° |
| C16 | C17 | H171 | 120.6° | 120.5° |
| C17 | C16 | H161 | 119.8° | 120.7° |
| C33 | N27 | C26 | 118.7° | 111.0° |
| N27 | C33 | H331 | 109.1° | 109.5° |
| N27 | C33 | H332 | 109.1° | 109.5° |
| C10 | N09 | C08 | 126.3° | 121.6° |
| N27 | C26 | C34 | 117.9° | 120.0° |
| N27 | C26 | C24 | 123.6° | 120.0° |
| C17 | C08 | N09 | 117.9° | 120.6° |
| C17 | C08 | N07 | 126.5° | 119.7° |
| C08 | C17 | H171 | 120.6° | 120.4° |
| N09 | C08 | N07 | 115.3° | 119.7° |
| C26 | C34 | C35 | 120.9° | 120.0° |
| C34 | C26 | C24 | 118.5° | 120.1° |
| C26 | C34 | H341 | 119.6° | 120.1° |
| C34 | C35 | C22 | 120.9° | 120.0° |
| C35 | C34 | H341 | 119.6° | 120.0° |
| C34 | C35 | H351 | 119.6° | 120.0° |
| C26 | C24 | CL25 | 123.2° | 120.0° |
| C26 | C24 | C23 | 120.1° | 119.9° |
| C08 | N07 | N03 | 129.2° | 125.2° |
| C08 | N07 | C18 | 122.6° | 125.2° |
| C06 | C05 | C04 | 123.3° | 120.0° |
| C06 | C05 | H051 | 118.3° | 120.0° |
| C05 | C06 | H061 | 120.0° | 119.9° |
| C05 | C06 | H062 | 120.0° | 120.0° |
| C05 | C04 | N03 | 107.1° | 109.4° |
| C05 | C04 | H042 | 110.0° | 109.5° |
| C05 | C04 | H041 | 110.1° | 109.5° |
| C04 | C05 | H051 | 118.3° | 120.0° |
| C35 | C22 | C23 | 118.1° | 120.0° |
| C35 | C22 | N21 | 126.9° | 120.0° |
| C22 | C35 | H351 | 119.6° | 120.0° |
| CL25 | C24 | C23 | 116.7° | 120.0° |
| C24 | C23 | C22 | 121.5° | 120.0° |
| C24 | C23 | H231 | 119.3° | 120.0° |
| N03 | N07 | C18 | 107.9° | 109.6° |
| N07 | N03 | C04 | 128.6° | 125.3° |
| N07 | N03 | C02 | 109.9° | 109.4° |
| N07 | C18 | N19 | 130.5° | 134.0° |
| N07 | C18 | C38 | 109.0° | 107.3° |
| C04 | N03 | C02 | 121.3° | 125.3° |
| N03 | C04 | H042 | 110.0° | 109.5° |
| N03 | C04 | H041 | 110.1° | 109.5° |
| C23 | C22 | N21 | 115.0° | 119.9° |
| C22 | C23 | H231 | 119.2° | 120.1° |
| C22 | N21 | C20 | 128.3° | 119.9° |
| C22 | N21 | H211 | 115.9° | 120.0° |
| N03 | C02 | C38 | 107.3° | 107.1° |
| N03 | C02 | O01 | 126.7° | 126.5° |
| C18 | N19 | C20 | 121.7° | 120.5° |
| N19 | C18 | C38 | 120.5° | 118.7° |
| N19 | C20 | N21 | 122.6° | 118.8° |
| N19 | C20 | N36 | 117.9° | 122.3° |
| C18 | C38 | C02 | 105.8° | 106.6° |
| C18 | C38 | C37 | 118.9° | 118.8° |
| N21 | C20 | N36 | 119.5° | 118.9° |
| C20 | N21 | H211 | 115.8° | 120.1° |
| C20 | N36 | C37 | 123.0° | 121.1° |
| C38 | C02 | O01 | 126.0° | 126.5° |
| C02 | C38 | C37 | 135.3° | 134.6° |
| C38 | C37 | N36 | 118.0° | 118.6° |
| C38 | C37 | H371 | 121.0° | 120.7° |
| N36 | C37 | H371 | 121.0° | 120.7° |
| H281 | C28 | H282 | 109.5° | 109.5° |
| H042 | C04 | H041 | 109.5° | 109.5° |
| H061 | C06 | H062 | 120.0° | 120.0° |
| H122 | C12 | H121 | 109.5° | 109.5° |
| H122 | C12 | H123 | 109.5° | 109.5° |
| H121 | C12 | H123 | 109.5° | 109.5° |
| H142 | C14 | H141 | 109.5° | 109.4° |
| H142 | C14 | H143 | 109.5° | 109.4° |
| H141 | C14 | H143 | 109.5° | 109.4° |
| H292 | C29 | H291 | 109.4° | 109.5° |
| H312 | C31 | H311 | 109.5° | 109.5° |
| H312 | C31 | H313 | 109.4° | 109.4° |
| H311 | C31 | H313 | 109.5° | 109.5° |
| H322 | C32 | H321 | 109.5° | 109.5° |
| H331 | C33 | H332 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C31 | N30 | C29 | C32 | 127.2° | 123.9° |
| C31 | N30 | C29 | C28 | 73.9° | 64.5° |
| C31 | N30 | C32 | C33 | 73.6° | 64.6° |
| C31 | N30 | C29 | H292 | 165.8° | 55.4° |
| C31 | N30 | C29 | H291 | 46.4° | 175.4° |
| N30 | C31 | H312 | H311 | 120.0° | 120.1° |
| N30 | C31 | H312 | H313 | 120.0° | 119.9° |
| N30 | C31 | H311 | H313 | 120.0° | 120.0° |
| C31 | N30 | C32 | H322 | 46.7° | 55.4° |
| C31 | N30 | C32 | H321 | 166.1° | 175.4° |
| N30 | C29 | C28 | H292 | 120.3° | 119.9° |
| N30 | C29 | C28 | H291 | 120.3° | 120.0° |
| C29 | N30 | C32 | C33 | 53.1° | 59.3° |
| N30 | C29 | C28 | N27 | 50.9° | 58.4° |
| N30 | C29 | C28 | H281 | 171.1° | 61.5° |
| N30 | C29 | C28 | H282 | 69.4° | 178.4° |
| N30 | C29 | H292 | H291 | 119.2° | 120.0° |
| C29 | N30 | C31 | H312 | 180.0° | 59.9° |
| C29 | N30 | C31 | H311 | 60.0° | 180.0° |
| C29 | N30 | C31 | H313 | 60.0° | 60.0° |
| C29 | N30 | C32 | H322 | 173.4° | 179.3° |
| C29 | N30 | C32 | H321 | 67.2° | 60.7° |
| C32 | N30 | C29 | C28 | 53.3° | 59.4° |
| N30 | C32 | C33 | H322 | 120.3° | 120.0° |
| N30 | C32 | C33 | H321 | 120.3° | 120.0° |
| N30 | C32 | C33 | N27 | 50.3° | 58.4° |
| C32 | N30 | C29 | H292 | 67.0° | 179.3° |
| C32 | N30 | C29 | H291 | 173.5° | 60.7° |
| C32 | N30 | C31 | H312 | 52.6° | 176.2° |
| C32 | N30 | C31 | H311 | 67.5° | 56.2° |
| C32 | N30 | C31 | H313 | 172.6° | 63.9° |
| N30 | C32 | H322 | H321 | 119.1° | 120.1° |
| N30 | C32 | C33 | H331 | 69.9° | 178.4° |
| N30 | C32 | C33 | H332 | 170.5° | 61.6° |
| C14 | C11 | C10 | C15 | 14.4° | 65.3° |
| C14 | C11 | C12 | C10 | 124.8° | 120.0° |
| C14 | C11 | C12 | O13 | 115.0° | 120.0° |
| C14 | C11 | C10 | O13 | 117.8° | 120.0° |
| C14 | C11 | C10 | N09 | 165.7° | 115.0° |
| C14 | C11 | C12 | H122 | 180.0° | 180.0° |
| C14 | C11 | C12 | H121 | 60.0° | 60.0° |
| C14 | C11 | C12 | H123 | 60.0° | 60.0° |
| C14 | C11 | O13 | H131 | 180.0° | 179.9° |
| C11 | C14 | H142 | H141 | 120.0° | 120.1° |
| C11 | C14 | H142 | H143 | 120.0° | 120.1° |
| C11 | C14 | H141 | H143 | 120.0° | 120.1° |
| C29 | C28 | N27 | H281 | 120.3° | 119.9° |
| C29 | C28 | N27 | H282 | 120.3° | 120.0° |
| C29 | C28 | N27 | C33 | 52.0° | 59.3° |
| C29 | C28 | N27 | C26 | 157.3° | 176.8° |
| C29 | C28 | H281 | H282 | 119.1° | 120.1° |
| C28 | C29 | H292 | H291 | 119.3° | 120.1° |
| C32 | C33 | N27 | C28 | 51.5° | 59.4° |
| C32 | C33 | N27 | H331 | 120.2° | 119.9° |
| C32 | C33 | N27 | H332 | 120.2° | 120.0° |
| C32 | C33 | N27 | C26 | 158.2° | 176.8° |
| C33 | C32 | H322 | H321 | 119.0° | 120.1° |
| C32 | C33 | H331 | H332 | 119.3° | 120.0° |
| C16 | C15 | C10 | H151 | 180.0° | 179.9° |
| C16 | C15 | C10 | C11 | 179.6° | 179.7° |
| C15 | C16 | C17 | H161 | 180.0° | 179.9° |
| C16 | C15 | C10 | N09 | 0.2° | 0.0° |
| C15 | C16 | C17 | C08 | 1.5° | 0.1° |
| C15 | C16 | C17 | H171 | 178.5° | 180.0° |
| C15 | C10 | C11 | C12 | 110.0° | 174.7° |
| C15 | C10 | C11 | N09 | 179.9° | 179.7° |
| C15 | C10 | C11 | O13 | 132.3° | 54.7° |
| C10 | C15 | C16 | C17 | 0.1° | 0.1° |
| C15 | C10 | N09 | C08 | 2.0° | 0.0° |
| C10 | C15 | C16 | H161 | 179.9° | 180.0° |
| C12 | C11 | C10 | O13 | 117.7° | 120.0° |
| C12 | C11 | C10 | N09 | 69.9° | 5.0° |
| C11 | C12 | H122 | H121 | 120.0° | 120.0° |
| C11 | C12 | H122 | H123 | 120.0° | 119.9° |
| C11 | C12 | H121 | H123 | 119.9° | 120.0° |
| C12 | C11 | O13 | H131 | 61.3° | 60.0° |
| C12 | C11 | C14 | H142 | 180.0° | 60.0° |
| C12 | C11 | C14 | H141 | 60.0° | 60.0° |
| C12 | C11 | C14 | H143 | 60.0° | 180.0° |
| C28 | N27 | C33 | C26 | 150.3° | 123.8° |
| C28 | N27 | C26 | C34 | 114.8° | 60.5° |
| C28 | N27 | C26 | C24 | 66.2° | 120.0° |
| N27 | C28 | H281 | H282 | 119.2° | 120.1° |
| N27 | C28 | C29 | H292 | 69.4° | 178.4° |
| N27 | C28 | C29 | H291 | 171.1° | 61.6° |
| C28 | N27 | C33 | H331 | 68.7° | 179.3° |
| C28 | N27 | C33 | H332 | 171.7° | 60.7° |
| C11 | C10 | N09 | C08 | 177.9° | 179.7° |
| C11 | C10 | C15 | H151 | 0.4° | 0.3° |
| C10 | C11 | C12 | H122 | 55.2° | 60.0° |
| C10 | C11 | C12 | H121 | 64.8° | 180.0° |
| C10 | C11 | C12 | H123 | 175.2° | 59.9° |
| C10 | C11 | O13 | H131 | 58.4° | 60.0° |
| C10 | C11 | C14 | H142 | 56.4° | 60.0° |
| C10 | C11 | C14 | H141 | 176.4° | 180.0° |
| C10 | C11 | C14 | H143 | 63.6° | 60.0° |
| O13 | C11 | C10 | N09 | 47.9° | 125.0° |
| O13 | C11 | C12 | H122 | 65.0° | 60.0° |
| O13 | C11 | C12 | H121 | 175.0° | 60.0° |
| O13 | C11 | C12 | H123 | 55.0° | 180.0° |
| O13 | C11 | C14 | H142 | 64.4° | 180.0° |
| O13 | C11 | C14 | H141 | 55.6° | 60.0° |
| O13 | C11 | C14 | H143 | 175.6° | 60.0° |
| C16 | C17 | C08 | H171 | 180.0° | 179.9° |
| C16 | C17 | C08 | N09 | 3.0° | 0.1° |
| C16 | C17 | C08 | N07 | 177.3° | 180.0° |
| C17 | C16 | C15 | H151 | 179.9° | 180.0° |
| C33 | N27 | C26 | C34 | 35.4° | 63.2° |
| C33 | N27 | C26 | C24 | 143.6° | 116.2° |
| C33 | N27 | C28 | H281 | 172.3° | 60.6° |
| C33 | N27 | C28 | H282 | 68.3° | 179.3° |
| N27 | C33 | C32 | H322 | 170.6° | 178.4° |
| N27 | C33 | C32 | H321 | 70.0° | 61.6° |
| N27 | C33 | H331 | H332 | 119.3° | 120.1° |
| C10 | N09 | C08 | C17 | 3.4° | 0.0° |
| C10 | N09 | C08 | N07 | 178.3° | 180.0° |
| N09 | C10 | C15 | H151 | 179.8° | 180.0° |
| N27 | C26 | C34 | C24 | 179.1° | 179.4° |
| N27 | C26 | C34 | C35 | 179.6° | 179.7° |
| N27 | C26 | C24 | CL25 | 0.7° | 0.1° |
| N27 | C26 | C24 | C23 | 179.9° | 180.0° |
| C26 | N27 | C28 | H281 | 37.0° | 63.2° |
| C26 | N27 | C28 | H282 | 82.4° | 56.9° |
| C26 | N27 | C33 | H331 | 81.6° | 56.9° |
| C26 | N27 | C33 | H332 | 38.0° | 63.2° |
| N27 | C26 | C34 | H341 | 0.4° | 0.5° |
| C17 | C08 | N09 | N07 | 174.9° | 180.0° |
| C17 | C08 | N07 | N03 | 158.4° | 174.8° |
| C17 | C08 | N07 | C18 | 28.6° | 5.1° |
| C08 | C17 | C16 | H161 | 178.5° | 180.0° |
| N09 | C08 | N07 | N03 | 27.2° | 5.2° |
| N09 | C08 | N07 | C18 | 145.8° | 174.8° |
| N09 | C08 | C17 | H171 | 177.0° | 179.9° |
| C26 | C34 | C35 | H341 | 180.0° | 179.2° |
| C26 | C34 | C35 | C22 | 0.0° | 0.6° |
| C34 | C26 | C24 | CL25 | 179.7° | 179.5° |
| C34 | C26 | C24 | C23 | 0.9° | 0.6° |
| C26 | C34 | C35 | H351 | 180.0° | 179.5° |
| C35 | C34 | C26 | C24 | 0.6° | 0.8° |
| C34 | C35 | C22 | H351 | 180.0° | 179.9° |
| C34 | C35 | C22 | C23 | 0.2° | 0.0° |
| C34 | C35 | C22 | N21 | 179.0° | 179.7° |
| C26 | C24 | CL25 | C23 | 179.5° | 179.9° |
| C26 | C24 | C23 | C22 | 0.6° | 0.0° |
| C26 | C24 | C23 | H231 | 179.4° | 179.9° |
| C24 | C26 | C34 | H341 | 179.4° | 179.9° |
| C08 | N07 | N03 | C18 | 173.8° | 180.0° |
| C08 | N07 | N03 | C04 | 7.4° | 0.0° |
| C08 | N07 | N03 | C02 | 176.3° | 180.0° |
| C08 | N07 | C18 | N19 | 4.7° | 0.0° |
| C08 | N07 | C18 | C38 | 176.6° | 180.0° |
| N07 | C08 | C17 | H171 | 2.7° | 0.1° |
| C06 | C05 | C04 | H051 | 180.0° | 179.9° |
| C06 | C05 | C04 | N03 | 64.0° | 125.1° |
| C06 | C05 | C04 | H042 | 55.6° | 5.1° |
| C06 | C05 | C04 | H041 | 176.4° | 115.0° |
| C05 | C06 | H061 | H062 | 180.0° | 179.9° |
| C05 | C04 | N03 | N07 | 78.2° | 91.5° |
| C05 | C04 | N03 | H042 | 119.6° | 120.0° |
| C05 | C04 | N03 | H041 | 119.6° | 120.0° |
| C05 | C04 | N03 | C02 | 97.7° | 88.5° |
| C05 | C04 | H042 | H041 | 121.1° | 120.0° |
| C04 | C05 | C06 | H061 | 180.0° | 180.0° |
| C04 | C05 | C06 | H062 | 0.0° | 0.1° |
| C35 | C22 | C23 | C24 | 0.1° | 0.2° |
| C35 | C22 | C23 | N21 | 178.9° | 179.7° |
| C35 | C22 | N21 | C20 | 14.9° | 32.9° |
| C35 | C22 | N21 | H211 | 165.1° | 147.1° |
| C35 | C22 | C23 | H231 | 179.9° | 179.8° |
| C22 | C35 | C34 | H341 | 180.0° | 179.8° |
| CL25 | C24 | C23 | C22 | 179.9° | 180.0° |
| CL25 | C24 | C23 | H231 | 0.1° | 0.0° |
| C24 | C23 | C22 | H231 | 180.0° | 180.0° |
| C24 | C23 | C22 | N21 | 178.9° | 179.9° |
| N07 | N03 | C04 | C02 | 175.9° | 180.0° |
| N03 | N07 | C18 | N19 | 179.0° | 180.0° |
| N03 | N07 | C18 | C38 | 2.3° | 0.0° |
| N07 | N03 | C02 | C38 | 1.7° | 0.0° |
| N07 | N03 | C02 | O01 | 178.7° | 180.0° |
| N07 | N03 | C04 | H042 | 162.2° | 148.5° |
| N07 | N03 | C04 | H041 | 41.4° | 28.5° |
| C18 | N07 | N03 | C04 | 178.8° | 180.0° |
| C18 | N07 | N03 | C02 | 2.5° | 0.0° |
| N07 | C18 | N19 | C38 | 178.6° | 180.0° |
| N07 | C18 | N19 | C20 | 178.5° | 180.0° |
| N07 | C18 | C38 | C02 | 1.2° | 0.0° |
| N07 | C18 | C38 | C37 | 179.1° | 180.0° |
| C04 | N03 | C02 | C38 | 178.4° | 180.0° |
| C04 | N03 | C02 | O01 | 2.1° | 0.0° |
| N03 | C04 | H042 | H041 | 121.1° | 120.0° |
| N03 | C04 | C05 | H051 | 116.0° | 55.0° |
| C23 | C22 | N21 | C20 | 166.3° | 147.4° |
| C23 | C22 | N21 | H211 | 13.8° | 32.6° |
| C23 | C22 | C35 | H351 | 179.7° | 179.9° |
| C22 | N21 | C20 | N19 | 0.9° | 175.9° |
| C22 | N21 | C20 | H211 | 180.0° | 180.0° |
| C22 | N21 | C20 | N36 | 178.6° | 3.7° |
| N21 | C22 | C23 | H231 | 1.1° | 0.1° |
| N21 | C22 | C35 | H351 | 1.0° | 0.2° |
| N03 | C02 | C38 | C18 | 0.3° | 0.0° |
| N03 | C02 | C38 | O01 | 179.6° | 180.0° |
| N03 | C02 | C38 | C37 | 179.4° | 180.0° |
| C02 | N03 | C04 | H042 | 21.9° | 31.5° |
| C02 | N03 | C04 | H041 | 142.6° | 151.5° |
| C18 | N19 | C20 | N21 | 179.7° | 179.7° |
| C18 | N19 | C20 | N36 | 0.1° | 0.0° |
| N19 | C18 | C38 | C02 | 179.9° | 180.0° |
| N19 | C18 | C38 | C37 | 0.2° | 0.0° |
| C20 | N19 | C18 | C38 | 0.1° | 0.0° |
| N19 | C20 | N21 | N36 | 179.6° | 179.7° |
| N19 | C20 | N36 | C37 | 0.1° | 0.1° |
| N19 | C20 | N21 | H211 | 179.1° | 4.1° |
| C18 | C38 | C02 | C37 | 179.7° | 180.0° |
| C18 | C38 | C02 | O01 | 179.9° | 180.0° |
| C18 | C38 | C37 | N36 | 0.4° | 0.0° |
| C18 | C38 | C37 | H371 | 179.6° | 180.0° |
| N21 | C20 | N36 | C37 | 179.4° | 179.7° |
| C20 | N36 | C37 | C38 | 0.4° | 0.1° |
| N36 | C20 | N21 | H211 | 1.4° | 176.2° |
| C20 | N36 | C37 | H371 | 179.6° | 180.0° |
| C02 | C38 | C37 | N36 | 180.0° | 180.0° |
| C02 | C38 | C37 | H371 | 0.0° | 0.0° |
| O01 | C02 | C38 | C37 | 0.2° | 0.0° |
| C38 | C37 | N36 | H371 | 180.0° | 180.0° |
| H151 | C15 | C16 | H161 | 0.1° | 0.1° |
| H171 | C17 | C16 | H161 | 1.5° | 0.1° |
| H281 | C28 | C29 | H292 | 50.9° | 58.4° |
| H281 | C28 | C29 | H291 | 68.6° | 178.5° |
| H282 | C28 | C29 | H292 | 170.3° | 61.7° |
| H282 | C28 | C29 | H291 | 50.8° | 58.4° |
| H042 | C04 | C05 | H051 | 124.4° | 175.0° |
| H041 | C04 | C05 | H051 | 3.7° | 65.0° |
| H051 | C05 | C06 | H061 | 0.0° | 0.1° |
| H051 | C05 | C06 | H062 | 180.0° | 180.0° |
| H122 | C12 | H121 | H123 | 120.0° | 120.1° |
| H142 | C14 | H141 | H143 | 120.0° | 119.9° |
| H312 | C31 | H311 | H313 | 120.0° | 120.0° |
| H322 | C32 | C33 | H331 | 50.4° | 61.6° |
| H322 | C32 | C33 | H332 | 69.2° | 58.3° |
| H321 | C32 | C33 | H331 | 169.8° | 58.4° |
| H321 | C32 | C33 | H332 | 50.2° | 178.4° |
| H341 | C34 | C35 | H351 | 0.0° | 0.3° |
