A70
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C | sing | 1.35Å | 1.36Å | |
| N1 | C2 | sing | 1.47Å | 1.46Å | |
| N1 | C6 | sing | 1.47Å | 1.45Å | |
| C | O | doub | 1.22Å | 1.26Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | N4 | sing | 1.47Å | 1.45Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| N4 | CM | sing | 1.47Å | 1.47Å | |
| N4 | C5 | sing | 1.47Å | 1.46Å | |
| CM | HM1 | sing | 1.09Å | 1.10Å | |
| CM | HM2 | sing | 1.09Å | 1.10Å | |
| CM | HM3 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C1 | C21 | sing | 1.53Å | 1.52Å | |
| C1 | N | sing | 1.47Å | 1.46Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H221 | sing | 1.09Å | 1.10Å | |
| N2 | C21 | sing | 1.46Å | 1.48Å | |
| N | C31 | sing | 1.47Å | 1.48Å | |
| C31 | C4 | sing | 1.50Å | 1.56Å | |
| C31 | C' | sing | 1.53Å | 1.55Å | |
| C31 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | O1 | doub | 1.21Å | 1.21Å | |
| C' | C1' | sing | 1.51Å | 1.52Å | |
| C' | H'1 | sing | 1.09Å | 1.10Å | |
| C' | H'2 | sing | 1.09Å | 1.10Å | |
| C1' | C2' | doub | 1.38Å | 1.40Å | Aromatic |
| C1' | C6' | sing | 1.38Å | 1.39Å | Aromatic |
| C2' | C3' | sing | 1.38Å | 1.41Å | Aromatic |
| C2' | H2' | sing | 1.08Å | 1.08Å | |
| C3' | C4' | doub | 1.38Å | 1.40Å | Aromatic |
| C3' | H3' | sing | 1.08Å | 1.08Å | |
| C4' | C5' | sing | 1.38Å | 1.40Å | Aromatic |
| C4' | H4' | sing | 1.08Å | 1.08Å | |
| C5' | C6' | doub | 1.38Å | 1.40Å | Aromatic |
| C5' | H5' | sing | 1.08Å | 1.08Å | |
| C6' | H6' | sing | 1.08Å | 1.08Å | |
| C11 | N2 | sing | 1.46Å | 1.47Å | |
| C11 | C7 | sing | 1.51Å | 1.54Å | |
| C11 | C22 | sing | 1.53Å | 1.53Å | |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | O2 | doub | 1.21Å | 1.23Å | |
| C22 | C32 | sing | 1.53Å | 1.53Å | |
| C22 | H212 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C32 | C41 | sing | 1.53Å | 1.54Å | |
| C32 | H311 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C41 | C51 | sing | 1.53Å | 1.52Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| C41 | H42 | sing | 1.09Å | 1.10Å | |
| C51 | H511 | sing | 1.09Å | 1.10Å | |
| C51 | H521 | sing | 1.09Å | 1.10Å | |
| C51 | H53 | sing | 1.09Å | 1.10Å | |
| C12 | C23 | sing | 1.53Å | 1.53Å | |
| C12 | O11 | sing | 1.43Å | 1.42Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C23 | C33 | sing | 1.53Å | 1.55Å | |
| C23 | N21 | sing | 1.46Å | 1.46Å | |
| C23 | H2 | sing | 1.09Å | 1.10Å | |
| C33 | C1'1 | sing | 1.53Å | 1.55Å | |
| C33 | H312 | sing | 1.09Å | 1.10Å | |
| C33 | H322 | sing | 1.09Å | 1.10Å | |
| C1'1 | C2'1 | sing | 1.53Å | 1.55Å | |
| C1'1 | C6'1 | sing | 1.53Å | 1.55Å | |
| C1'1 | H1' | sing | 1.09Å | 1.10Å | |
| C2'1 | C3'1 | sing | 1.53Å | 1.54Å | |
| C2'1 | H2'1 | sing | 1.09Å | 1.10Å | |
| C2'1 | H2'2 | sing | 1.09Å | 1.10Å | |
| C3'1 | C4'1 | sing | 1.53Å | 1.52Å | |
| C3'1 | H3'1 | sing | 1.09Å | 1.10Å | |
| C3'1 | H3'2 | sing | 1.09Å | 1.10Å | |
| C4'1 | C5'1 | sing | 1.53Å | 1.54Å | |
| C4'1 | H4'1 | sing | 1.09Å | 1.10Å | |
| C4'1 | H4'2 | sing | 1.09Å | 1.10Å | |
| C5'1 | C6'1 | sing | 1.53Å | 1.53Å | |
| C5'1 | H5'1 | sing | 1.09Å | 1.10Å | |
| C5'1 | H5'2 | sing | 1.09Å | 1.10Å | |
| C6'1 | H6'1 | sing | 1.09Å | 1.10Å | |
| C6'1 | H6'2 | sing | 1.09Å | 1.10Å | |
| N21 | HN22 | sing | 0.97Å | 1.00Å | |
| O11 | HO1 | sing | 0.97Å | 0.95Å | |
| C13 | C24 | sing | 1.53Å | 1.55Å | |
| C13 | H122 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | C8 | sing | 1.51Å | 1.54Å | |
| C24 | C1'2 | sing | 1.53Å | 1.55Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C8 | O3 | doub | 1.21Å | 1.21Å | |
| C1'2 | C2'2 | sing | 1.53Å | 1.51Å | |
| C1'2 | C3'2 | sing | 1.53Å | 1.54Å | |
| C1'2 | H1'1 | sing | 1.09Å | 1.10Å | |
| C2'2 | H2'3 | sing | 1.09Å | 1.10Å | |
| C2'2 | H2'4 | sing | 1.09Å | 1.10Å | |
| C2'2 | H2'5 | sing | 1.09Å | 1.10Å | |
| C3'2 | H3'3 | sing | 1.09Å | 1.10Å | |
| C3'2 | H3'4 | sing | 1.09Å | 1.10Å | |
| C3'2 | H3'5 | sing | 1.09Å | 1.10Å | |
| C14 | N3 | sing | 1.47Å | 1.47Å | |
| C14 | C25 | sing | 1.53Å | 1.52Å | |
| C14 | H111 | sing | 1.09Å | 1.10Å | |
| C14 | H123 | sing | 1.09Å | 1.10Å | |
| N3 | HN21 | sing | 0.97Å | 1.00Å | |
| C25 | C34 | sing | 1.53Å | 1.53Å | |
| C25 | H213 | sing | 1.09Å | 1.10Å | |
| C25 | H223 | sing | 1.09Å | 1.10Å | |
| C34 | C42 | sing | 1.53Å | 1.51Å | |
| C34 | H313 | sing | 1.09Å | 1.10Å | |
| C34 | H323 | sing | 1.09Å | 1.10Å | |
| C42 | H411 | sing | 1.09Å | 1.10Å | |
| C42 | H421 | sing | 1.09Å | 1.10Å | |
| C42 | H43 | sing | 1.09Å | 1.10Å | |
| C | N | sing | 1.35Å | 1.36Å | |
| C4 | N2 | sing | 1.33Å | 1.37Å | |
| C7 | N21 | sing | 1.35Å | 1.36Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C8 | N3 | sing | 1.35Å | 1.34Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | N1 | C2 | 121.7° | 120.9° |
| C | N1 | C6 | 117.8° | 120.9° |
| N1 | C | O | 122.7° | 120.0° |
| N1 | C | N | 117.4° | 120.0° |
| C2 | N1 | C6 | 118.4° | 118.2° |
| N1 | C2 | C3 | 115.7° | 108.5° |
| N1 | C2 | H21 | 107.4° | 109.6° |
| N1 | C2 | H22 | 106.0° | 109.6° |
| N1 | C6 | C5 | 107.9° | 108.8° |
| N1 | C6 | H61 | 110.0° | 109.6° |
| N1 | C6 | H62 | 110.4° | 109.7° |
| O | C | N | 119.0° | 120.0° |
| C3 | C2 | H21 | 107.5° | 109.6° |
| C3 | C2 | H22 | 106.0° | 109.7° |
| C2 | C3 | N4 | 120.4° | 109.4° |
| C2 | C3 | H31 | 106.0° | 109.5° |
| C2 | C3 | H32 | 103.4° | 109.5° |
| H21 | C2 | H22 | 114.4° | 109.8° |
| N4 | C3 | H31 | 106.0° | 109.5° |
| N4 | C3 | H32 | 103.4° | 109.5° |
| C3 | N4 | CM | 114.2° | 111.0° |
| C3 | N4 | C5 | 116.0° | 111.3° |
| H31 | C3 | H32 | 118.5° | 109.4° |
| CM | N4 | C5 | 109.8° | 111.0° |
| N4 | CM | HM1 | 109.5° | 109.4° |
| N4 | CM | HM2 | 109.5° | 109.5° |
| N4 | CM | HM3 | 109.5° | 109.5° |
| N4 | C5 | C6 | 112.3° | 109.4° |
| N4 | C5 | H51 | 108.5° | 109.5° |
| N4 | C5 | H52 | 107.9° | 109.5° |
| HM1 | CM | HM2 | 109.5° | 109.5° |
| HM1 | CM | HM3 | 109.5° | 109.4° |
| HM2 | CM | HM3 | 109.5° | 109.6° |
| C6 | C5 | H51 | 108.5° | 109.6° |
| C6 | C5 | H52 | 107.9° | 109.3° |
| C5 | C6 | H61 | 110.0° | 109.5° |
| C5 | C6 | H62 | 110.4° | 109.4° |
| H51 | C5 | H52 | 111.7° | 109.5° |
| H61 | C6 | H62 | 108.2° | 109.8° |
| C21 | C1 | N | 107.5° | 108.2° |
| C21 | C1 | H11 | 110.1° | 109.7° |
| C21 | C1 | H12 | 110.5° | 109.7° |
| C1 | C21 | H211 | 109.2° | 109.2° |
| C1 | C21 | H221 | 109.0° | 109.2° |
| C1 | C21 | N2 | 110.3° | 110.8° |
| N | C1 | H11 | 110.1° | 109.7° |
| N | C1 | H12 | 110.5° | 109.7° |
| C1 | N | C31 | 120.1° | 117.3° |
| C1 | N | C | 117.7° | 121.4° |
| H11 | C1 | H12 | 108.0° | 109.7° |
| H211 | C21 | H221 | 110.1° | 109.2° |
| H211 | C21 | N2 | 109.2° | 109.2° |
| H221 | C21 | N2 | 109.0° | 109.1° |
| C21 | N2 | C11 | 117.5° | 117.7° |
| C21 | N2 | C4 | 120.6° | 124.6° |
| N | C31 | C4 | 113.6° | 108.9° |
| N | C31 | C' | 112.4° | 109.6° |
| N | C31 | H3 | 104.2° | 109.6° |
| C31 | N | C | 118.1° | 121.3° |
| C4 | C31 | C' | 108.7° | 109.5° |
| C4 | C31 | H3 | 108.2° | 109.5° |
| C31 | C4 | O1 | 111.8° | 118.5° |
| C31 | C4 | N2 | 116.2° | 123.0° |
| C' | C31 | H3 | 109.6° | 109.7° |
| C31 | C' | C1' | 108.5° | 109.5° |
| C31 | C' | H'1 | 109.8° | 109.4° |
| C31 | C' | H'2 | 110.0° | 109.4° |
| O1 | C4 | N2 | 129.5° | 118.5° |
| C1' | C' | H'1 | 109.8° | 109.5° |
| C1' | C' | H'2 | 110.0° | 109.5° |
| C' | C1' | C2' | 119.4° | 120.0° |
| C' | C1' | C6' | 120.7° | 120.0° |
| H'1 | C' | H'2 | 108.7° | 109.5° |
| C2' | C1' | C6' | 120.0° | 120.0° |
| C1' | C2' | C3' | 122.8° | 120.0° |
| C1' | C2' | H2' | 118.6° | 120.0° |
| C1' | C6' | C5' | 117.6° | 120.0° |
| C1' | C6' | H6' | 121.2° | 120.0° |
| C3' | C2' | H2' | 118.6° | 120.0° |
| C2' | C3' | C4' | 116.9° | 120.0° |
| C2' | C3' | H3' | 121.6° | 120.0° |
| C4' | C3' | H3' | 121.5° | 120.0° |
| C3' | C4' | C5' | 120.2° | 120.0° |
| C3' | C4' | H4' | 119.9° | 120.0° |
| C5' | C4' | H4' | 119.9° | 120.0° |
| C4' | C5' | C6' | 122.5° | 120.0° |
| C4' | C5' | H5' | 118.8° | 120.0° |
| C6' | C5' | H5' | 118.7° | 120.1° |
| C5' | C6' | H6' | 121.2° | 119.9° |
| N2 | C11 | C7 | 113.0° | 109.5° |
| N2 | C11 | C22 | 108.0° | 109.5° |
| N2 | C11 | H1 | 108.1° | 109.5° |
| C11 | N2 | C4 | 121.7° | 117.7° |
| C7 | C11 | C22 | 109.4° | 109.5° |
| C7 | C11 | H1 | 106.7° | 109.4° |
| C11 | C7 | O2 | 118.2° | 120.0° |
| C11 | C7 | N21 | 113.0° | 120.0° |
| C22 | C11 | H1 | 111.8° | 109.5° |
| C11 | C22 | C32 | 114.8° | 109.5° |
| C11 | C22 | H212 | 107.7° | 109.4° |
| C11 | C22 | H222 | 106.6° | 109.5° |
| O2 | C7 | N21 | 128.5° | 120.0° |
| C32 | C22 | H212 | 107.7° | 109.5° |
| C32 | C22 | H222 | 106.5° | 109.5° |
| C22 | C32 | C41 | 106.7° | 109.5° |
| C22 | C32 | H311 | 110.4° | 109.5° |
| C22 | C32 | H321 | 111.0° | 109.5° |
| H212 | C22 | H222 | 113.7° | 109.4° |
| C41 | C32 | H311 | 110.4° | 109.4° |
| C41 | C32 | H321 | 111.0° | 109.5° |
| C32 | C41 | C51 | 106.5° | 109.5° |
| C32 | C41 | H41 | 110.5° | 109.4° |
| C32 | C41 | H42 | 111.1° | 109.5° |
| H311 | C32 | H321 | 107.4° | 109.5° |
| C51 | C41 | H41 | 110.5° | 109.4° |
| C51 | C41 | H42 | 111.1° | 109.5° |
| C41 | C51 | H511 | 109.5° | 109.4° |
| C41 | C51 | H521 | 109.5° | 109.5° |
| C41 | C51 | H53 | 109.5° | 109.5° |
| H41 | C41 | H42 | 107.2° | 109.5° |
| H511 | C51 | H521 | 109.4° | 109.5° |
| H511 | C51 | H53 | 109.5° | 109.5° |
| H521 | C51 | H53 | 109.5° | 109.5° |
| C23 | C12 | O11 | 109.5° | 109.4° |
| C23 | C12 | H121 | 107.8° | 109.5° |
| C12 | C23 | C33 | 115.1° | 109.4° |
| C12 | C23 | N21 | 115.6° | 109.5° |
| C12 | C23 | H2 | 100.7° | 109.4° |
| C23 | C12 | C13 | 111.5° | 109.5° |
| O11 | C12 | H121 | 110.7° | 109.4° |
| C12 | O11 | HO1 | 109.5° | 114.0° |
| O11 | C12 | C13 | 108.8° | 109.5° |
| H121 | C12 | C13 | 108.6° | 109.5° |
| C33 | C23 | N21 | 110.2° | 109.5° |
| C33 | C23 | H2 | 107.4° | 109.5° |
| C23 | C33 | C1'1 | 110.8° | 109.5° |
| C23 | C33 | H312 | 109.1° | 109.5° |
| C23 | C33 | H322 | 108.8° | 109.5° |
| N21 | C23 | H2 | 106.8° | 109.5° |
| C23 | N21 | HN22 | 117.5° | 120.0° |
| C23 | N21 | C7 | 125.0° | 120.0° |
| C1'1 | C33 | H312 | 109.0° | 109.4° |
| C1'1 | C33 | H322 | 108.8° | 109.4° |
| C33 | C1'1 | C2'1 | 110.7° | 109.5° |
| C33 | C1'1 | C6'1 | 110.0° | 109.5° |
| C33 | C1'1 | H1' | 107.8° | 109.4° |
| H312 | C33 | H322 | 110.5° | 109.5° |
| C2'1 | C1'1 | C6'1 | 107.9° | 109.5° |
| C2'1 | C1'1 | H1' | 109.9° | 109.5° |
| C1'1 | C2'1 | C3'1 | 112.0° | 109.4° |
| C1'1 | C2'1 | H2'1 | 108.6° | 109.5° |
| C1'1 | C2'1 | H2'2 | 108.1° | 109.5° |
| C6'1 | C1'1 | H1' | 110.6° | 109.5° |
| C1'1 | C6'1 | C5'1 | 114.8° | 109.5° |
| C1'1 | C6'1 | H6'1 | 107.7° | 109.5° |
| C1'1 | C6'1 | H6'2 | 106.5° | 109.4° |
| C3'1 | C2'1 | H2'1 | 108.6° | 109.5° |
| C3'1 | C2'1 | H2'2 | 108.1° | 109.5° |
| C2'1 | C3'1 | C4'1 | 113.4° | 109.5° |
| C2'1 | C3'1 | H3'1 | 108.2° | 109.5° |
| C2'1 | C3'1 | H3'2 | 107.3° | 109.5° |
| H2'1 | C2'1 | H2'2 | 111.4° | 109.5° |
| C4'1 | C3'1 | H3'1 | 108.2° | 109.5° |
| C4'1 | C3'1 | H3'2 | 107.3° | 109.5° |
| C3'1 | C4'1 | C5'1 | 113.2° | 109.5° |
| C3'1 | C4'1 | H4'1 | 108.3° | 109.5° |
| C3'1 | C4'1 | H4'2 | 107.4° | 109.5° |
| H3'1 | C3'1 | H3'2 | 112.6° | 109.4° |
| C5'1 | C4'1 | H4'1 | 108.2° | 109.4° |
| C5'1 | C4'1 | H4'2 | 107.4° | 109.5° |
| C4'1 | C5'1 | C6'1 | 114.5° | 109.5° |
| C4'1 | C5'1 | H5'1 | 107.8° | 109.5° |
| C4'1 | C5'1 | H5'2 | 106.7° | 109.5° |
| H4'1 | C4'1 | H4'2 | 112.4° | 109.5° |
| C6'1 | C5'1 | H5'1 | 107.8° | 109.5° |
| C6'1 | C5'1 | H5'2 | 106.7° | 109.4° |
| C5'1 | C6'1 | H6'1 | 107.7° | 109.5° |
| C5'1 | C6'1 | H6'2 | 106.5° | 109.5° |
| H5'1 | C5'1 | H5'2 | 113.5° | 109.5° |
| H6'1 | C6'1 | H6'2 | 113.7° | 109.5° |
| HN22 | N21 | C7 | 117.5° | 120.0° |
| C24 | C13 | H122 | 108.8° | 109.4° |
| C24 | C13 | H13 | 108.3° | 109.5° |
| C13 | C24 | C8 | 107.6° | 109.5° |
| C13 | C24 | C1'2 | 105.8° | 109.5° |
| C13 | C24 | H24 | 112.3° | 109.4° |
| C24 | C13 | C12 | 111.6° | 109.5° |
| H122 | C13 | H13 | 111.1° | 109.5° |
| H122 | C13 | C12 | 108.8° | 109.5° |
| H13 | C13 | C12 | 108.3° | 109.4° |
| C8 | C24 | C1'2 | 107.4° | 109.5° |
| C8 | C24 | H24 | 110.9° | 109.5° |
| C24 | C8 | O3 | 118.1° | 120.0° |
| C24 | C8 | N3 | 110.6° | 120.0° |
| C1'2 | C24 | H24 | 112.5° | 109.5° |
| C24 | C1'2 | C2'2 | 113.2° | 109.5° |
| C24 | C1'2 | C3'2 | 115.4° | 109.5° |
| C24 | C1'2 | H1'1 | 103.3° | 109.5° |
| O3 | C8 | N3 | 125.7° | 120.1° |
| C2'2 | C1'2 | C3'2 | 112.4° | 109.5° |
| C2'2 | C1'2 | H1'1 | 107.0° | 109.4° |
| C1'2 | C2'2 | H2'3 | 109.5° | 109.5° |
| C1'2 | C2'2 | H2'4 | 109.5° | 109.5° |
| C1'2 | C2'2 | H2'5 | 109.4° | 109.5° |
| C3'2 | C1'2 | H1'1 | 104.3° | 109.5° |
| C1'2 | C3'2 | H3'3 | 109.5° | 109.5° |
| C1'2 | C3'2 | H3'4 | 109.5° | 109.5° |
| C1'2 | C3'2 | H3'5 | 109.5° | 109.5° |
| H2'3 | C2'2 | H2'4 | 109.5° | 109.5° |
| H2'3 | C2'2 | H2'5 | 109.5° | 109.4° |
| H2'4 | C2'2 | H2'5 | 109.5° | 109.5° |
| H3'3 | C3'2 | H3'4 | 109.5° | 109.5° |
| H3'3 | C3'2 | H3'5 | 109.4° | 109.4° |
| H3'4 | C3'2 | H3'5 | 109.5° | 109.5° |
| N3 | C14 | C25 | 108.4° | 109.5° |
| N3 | C14 | H111 | 109.8° | 109.5° |
| N3 | C14 | H123 | 110.0° | 109.4° |
| C14 | N3 | HN21 | 120.9° | 120.0° |
| C14 | N3 | C8 | 118.2° | 120.0° |
| C25 | C14 | H111 | 109.8° | 109.5° |
| C25 | C14 | H123 | 110.1° | 109.5° |
| C14 | C25 | C34 | 117.3° | 109.5° |
| C14 | C25 | H213 | 107.0° | 109.5° |
| C14 | C25 | H223 | 105.2° | 109.5° |
| H111 | C14 | H123 | 108.6° | 109.5° |
| HN21 | N3 | C8 | 120.9° | 120.0° |
| C34 | C25 | H213 | 106.9° | 109.5° |
| C34 | C25 | H223 | 105.2° | 109.5° |
| C25 | C34 | C42 | 113.2° | 109.5° |
| C25 | C34 | H313 | 108.3° | 109.5° |
| C25 | C34 | H323 | 107.4° | 109.5° |
| H213 | C25 | H223 | 115.8° | 109.5° |
| C42 | C34 | H313 | 108.3° | 109.4° |
| C42 | C34 | H323 | 107.4° | 109.4° |
| C34 | C42 | H411 | 109.5° | 109.5° |
| C34 | C42 | H421 | 109.5° | 109.5° |
| C34 | C42 | H43 | 109.4° | 109.5° |
| H313 | C34 | H323 | 112.4° | 109.5° |
| H411 | C42 | H421 | 109.4° | 109.5° |
| H411 | C42 | H43 | 109.5° | 109.4° |
| H421 | C42 | H43 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | N1 | C2 | C6 | 162.7° | 179.6° |
| N1 | C | O | N | 168.4° | 179.9° |
| C | N1 | C2 | C3 | 173.9° | 128.8° |
| C | N1 | C2 | H21 | 66.1° | 111.5° |
| C | N1 | C2 | H22 | 56.7° | 9.0° |
| C | N1 | C6 | C5 | 145.3° | 128.8° |
| C | N1 | C6 | H61 | 25.3° | 9.1° |
| C | N1 | C6 | H62 | 94.1° | 111.5° |
| N1 | C | N | C1 | 38.8° | 10.5° |
| N1 | C | N | C31 | 163.8° | 169.5° |
| C2 | N1 | C | O | 132.0° | 22.1° |
| N1 | C2 | C3 | H21 | 120.0° | 119.6° |
| N1 | C2 | C3 | H22 | 117.2° | 119.7° |
| N1 | C2 | H21 | H22 | 117.4° | 120.4° |
| N1 | C2 | C3 | N4 | 2.9° | 53.8° |
| N1 | C2 | C3 | H31 | 122.9° | 173.8° |
| N1 | C2 | C3 | H32 | 111.8° | 66.2° |
| C2 | N1 | C6 | C5 | 51.3° | 50.8° |
| C2 | N1 | C6 | H61 | 171.3° | 170.5° |
| C2 | N1 | C6 | H62 | 69.3° | 68.8° |
| C2 | N1 | C | N | 36.6° | 157.8° |
| C6 | N1 | C | O | 30.8° | 157.6° |
| C6 | N1 | C2 | C3 | 23.4° | 50.9° |
| C6 | N1 | C2 | H21 | 96.6° | 68.8° |
| C6 | N1 | C2 | H22 | 140.6° | 170.6° |
| N1 | C6 | C5 | N4 | 61.3° | 53.6° |
| N1 | C6 | C5 | H61 | 120.0° | 119.8° |
| N1 | C6 | C5 | H62 | 120.6° | 119.8° |
| N1 | C6 | C5 | H51 | 178.7° | 173.7° |
| N1 | C6 | C5 | H52 | 57.4° | 66.3° |
| N1 | C6 | H61 | H62 | 120.6° | 120.6° |
| C6 | N1 | C | N | 160.6° | 22.5° |
| O | C | N | C1 | 152.1° | 169.5° |
| O | C | N | C31 | 5.2° | 10.6° |
| C3 | C2 | H21 | H22 | 117.5° | 120.6° |
| C2 | C3 | N4 | H31 | 120.0° | 120.0° |
| C2 | C3 | N4 | H32 | 114.6° | 120.0° |
| C2 | C3 | H31 | H32 | 115.5° | 120.0° |
| C2 | C3 | N4 | CM | 143.6° | 172.7° |
| C2 | C3 | N4 | C5 | 14.3° | 63.1° |
| H21 | C2 | C3 | N4 | 117.1° | 65.9° |
| H21 | C2 | C3 | H31 | 2.8° | 54.2° |
| H21 | C2 | C3 | H32 | 128.2° | 174.2° |
| H22 | C2 | C3 | N4 | 120.1° | 173.5° |
| H22 | C2 | C3 | H31 | 120.0° | 66.4° |
| H22 | C2 | C3 | H32 | 5.4° | 53.5° |
| N4 | C3 | H31 | H32 | 115.5° | 120.1° |
| C3 | N4 | CM | C5 | 132.3° | 124.3° |
| C3 | N4 | CM | HM1 | 138.5° | 60.0° |
| C3 | N4 | CM | HM2 | 18.5° | 180.0° |
| C3 | N4 | CM | HM3 | 101.5° | 59.9° |
| C3 | N4 | C5 | C6 | 43.6° | 62.9° |
| C3 | N4 | C5 | H51 | 163.6° | 176.9° |
| C3 | N4 | C5 | H52 | 75.1° | 56.9° |
| H31 | C3 | N4 | CM | 96.4° | 52.7° |
| H31 | C3 | N4 | C5 | 134.3° | 176.9° |
| H32 | C3 | N4 | CM | 28.9° | 67.3° |
| H32 | C3 | N4 | C5 | 100.3° | 56.9° |
| N4 | CM | HM1 | HM2 | 120.0° | 120.0° |
| N4 | CM | HM1 | HM3 | 120.0° | 119.9° |
| N4 | CM | HM2 | HM3 | 120.0° | 120.1° |
| CM | N4 | C5 | C6 | 175.0° | 172.9° |
| CM | N4 | C5 | H51 | 65.0° | 52.7° |
| CM | N4 | C5 | H52 | 56.2° | 67.3° |
| C5 | N4 | CM | HM1 | 89.2° | 64.3° |
| C5 | N4 | CM | HM2 | 150.8° | 55.6° |
| C5 | N4 | CM | HM3 | 30.8° | 175.8° |
| N4 | C5 | C6 | H51 | 120.0° | 120.1° |
| N4 | C5 | C6 | H52 | 118.8° | 119.9° |
| N4 | C5 | H51 | H52 | 118.8° | 120.1° |
| N4 | C5 | C6 | H61 | 178.7° | 173.4° |
| N4 | C5 | C6 | H62 | 59.3° | 66.2° |
| HM1 | CM | HM2 | HM3 | 120.0° | 120.0° |
| C6 | C5 | H51 | H52 | 118.8° | 119.9° |
| C5 | C6 | H61 | H62 | 120.6° | 120.2° |
| H51 | C5 | C6 | H61 | 58.7° | 66.6° |
| H51 | C5 | C6 | H62 | 60.7° | 53.9° |
| H52 | C5 | C6 | H61 | 62.6° | 53.4° |
| H52 | C5 | C6 | H62 | 178.1° | 173.9° |
| C21 | C1 | N | H11 | 120.0° | 119.7° |
| C21 | C1 | N | H12 | 120.7° | 119.7° |
| C21 | C1 | H11 | H12 | 120.8° | 120.6° |
| C1 | C21 | H211 | H221 | 119.7° | 119.4° |
| C1 | C21 | H211 | N2 | 120.7° | 121.4° |
| C1 | C21 | H221 | N2 | 120.5° | 121.3° |
| C21 | C1 | N | C31 | 39.0° | 61.5° |
| C1 | C21 | N2 | C11 | 147.8° | 158.1° |
| C21 | C1 | N | C | 117.8° | 118.5° |
| C1 | C21 | N2 | C4 | 37.9° | 21.8° |
| N | C1 | H11 | H12 | 120.8° | 120.6° |
| N | C1 | C21 | H211 | 59.6° | 167.1° |
| N | C1 | C21 | H221 | 180.0° | 73.6° |
| N | C1 | C21 | N2 | 60.4° | 46.7° |
| C1 | N | C31 | C | 156.8° | 180.0° |
| C1 | N | C31 | C4 | 5.5° | 42.7° |
| C1 | N | C31 | C' | 129.4° | 162.5° |
| C1 | N | C31 | H3 | 112.0° | 77.0° |
| H11 | C1 | C21 | H211 | 179.6° | 73.2° |
| H11 | C1 | C21 | H221 | 60.0° | 46.1° |
| H11 | C1 | C21 | N2 | 59.6° | 166.4° |
| H11 | C1 | N | C31 | 81.0° | 178.8° |
| H11 | C1 | N | C | 122.2° | 1.2° |
| H12 | C1 | C21 | H211 | 61.1° | 47.5° |
| H12 | C1 | C21 | H221 | 59.3° | 166.8° |
| H12 | C1 | C21 | N2 | 178.9° | 73.0° |
| H12 | C1 | N | C31 | 159.8° | 58.2° |
| H12 | C1 | N | C | 2.9° | 121.9° |
| H211 | C21 | H221 | N2 | 119.7° | 119.3° |
| H211 | C21 | N2 | C11 | 92.2° | 37.7° |
| H211 | C21 | N2 | C4 | 82.1° | 142.2° |
| H221 | C21 | N2 | C11 | 28.2° | 81.6° |
| H221 | C21 | N2 | C4 | 157.5° | 98.5° |
| C21 | N2 | C4 | C31 | 9.1° | 4.2° |
| C21 | N2 | C4 | O1 | 169.7° | 175.7° |
| C21 | N2 | C11 | C4 | 174.3° | 180.0° |
| C21 | N2 | C11 | C7 | 48.8° | 119.9° |
| C21 | N2 | C11 | C22 | 72.3° | 120.0° |
| C21 | N2 | C11 | H1 | 166.6° | 0.0° |
| N | C31 | C4 | C' | 126.0° | 119.9° |
| N | C31 | C4 | H3 | 115.1° | 119.8° |
| N | C31 | C' | H3 | 115.3° | 120.3° |
| N | C31 | C4 | O1 | 164.3° | 167.3° |
| N | C31 | C' | C1' | 41.5° | 178.1° |
| N | C31 | C' | H'1 | 78.5° | 58.0° |
| N | C31 | C' | H'2 | 161.9° | 62.0° |
| N | C31 | C4 | N2 | 31.7° | 12.6° |
| C4 | C31 | C' | H3 | 118.0° | 120.2° |
| C31 | C4 | O1 | N2 | 161.3° | 179.9° |
| C4 | C31 | C' | C1' | 85.2° | 58.7° |
| C4 | C31 | C' | H'1 | 154.8° | 61.4° |
| C4 | C31 | C' | H'2 | 35.2° | 178.6° |
| C31 | C4 | N2 | C11 | 165.0° | 175.7° |
| C4 | C31 | N | C | 162.2° | 137.2° |
| C' | C31 | C4 | O1 | 38.4° | 47.4° |
| C31 | C' | C1' | H'1 | 120.0° | 120.0° |
| C31 | C' | C1' | H'2 | 120.4° | 119.9° |
| C31 | C' | H'1 | H'2 | 120.4° | 120.0° |
| C31 | C' | C1' | C2' | 81.1° | 98.9° |
| C31 | C' | C1' | C6' | 98.2° | 81.4° |
| C' | C31 | N | C | 73.8° | 17.4° |
| C' | C31 | C4 | N2 | 157.6° | 132.5° |
| H3 | C31 | C4 | O1 | 80.5° | 72.9° |
| H3 | C31 | C' | C1' | 156.8° | 61.6° |
| H3 | C31 | C' | H'1 | 36.8° | 178.4° |
| H3 | C31 | C' | H'2 | 82.8° | 58.4° |
| H3 | C31 | N | C | 44.7° | 103.0° |
| H3 | C31 | C4 | N2 | 83.5° | 107.1° |
| O1 | C4 | N2 | C11 | 4.4° | 4.3° |
| C1' | C' | H'1 | H'2 | 120.4° | 120.0° |
| C' | C1' | C2' | C6' | 179.3° | 179.7° |
| C' | C1' | C2' | C3' | 179.9° | 180.0° |
| C' | C1' | C2' | H2' | 0.1° | 0.1° |
| C' | C1' | C6' | C5' | 179.3° | 179.8° |
| C' | C1' | C6' | H6' | 0.7° | 0.0° |
| H'1 | C' | C1' | C2' | 159.0° | 21.1° |
| H'1 | C' | C1' | C6' | 21.7° | 158.6° |
| H'2 | C' | C1' | C2' | 39.3° | 141.2° |
| H'2 | C' | C1' | C6' | 141.4° | 38.5° |
| C1' | C2' | C3' | H2' | 180.0° | 179.9° |
| C1' | C2' | C3' | C4' | 1.1° | 0.1° |
| C1' | C2' | C3' | H3' | 178.9° | 179.9° |
| C2' | C1' | C6' | C5' | 0.0° | 0.5° |
| C2' | C1' | C6' | H6' | 180.0° | 179.7° |
| C6' | C1' | C2' | C3' | 0.6° | 0.3° |
| C6' | C1' | C2' | H2' | 179.4° | 179.8° |
| C1' | C6' | C5' | C4' | 0.1° | 0.4° |
| C1' | C6' | C5' | H6' | 180.0° | 179.8° |
| C1' | C6' | C5' | H5' | 179.9° | 179.7° |
| C2' | C3' | C4' | H3' | 180.0° | 180.0° |
| C2' | C3' | C4' | C5' | 0.9° | 0.0° |
| C2' | C3' | C4' | H4' | 179.1° | 179.9° |
| H2' | C2' | C3' | C4' | 179.0° | 180.0° |
| H2' | C2' | C3' | H3' | 1.1° | 0.0° |
| C3' | C4' | C5' | H4' | 180.0° | 180.0° |
| C3' | C4' | C5' | C6' | 0.3° | 0.2° |
| C3' | C4' | C5' | H5' | 179.7° | 179.9° |
| H3' | C3' | C4' | C5' | 179.1° | 180.0° |
| H3' | C3' | C4' | H4' | 0.9° | 0.0° |
| C4' | C5' | C6' | H5' | 180.0° | 179.9° |
| C4' | C5' | C6' | H6' | 179.9° | 179.8° |
| H4' | C4' | C5' | C6' | 179.7° | 179.9° |
| H4' | C4' | C5' | H5' | 0.3° | 0.0° |
| H5' | C5' | C6' | H6' | 0.1° | 0.1° |
| N2 | C11 | C7 | C22 | 120.3° | 120.0° |
| N2 | C11 | C7 | H1 | 118.6° | 120.0° |
| N2 | C11 | C22 | H1 | 118.8° | 120.0° |
| N2 | C11 | C7 | O2 | 86.2° | 0.1° |
| N2 | C11 | C22 | C32 | 155.6° | 65.0° |
| N2 | C11 | C22 | H212 | 35.6° | 55.0° |
| N2 | C11 | C22 | H222 | 86.8° | 174.9° |
| N2 | C11 | C7 | N21 | 88.1° | 180.0° |
| C7 | C11 | C22 | H1 | 117.9° | 120.0° |
| C11 | C7 | O2 | N21 | 173.3° | 179.9° |
| C7 | C11 | C22 | C32 | 81.0° | 175.0° |
| C7 | C11 | C22 | H212 | 159.0° | 65.0° |
| C7 | C11 | C22 | H222 | 36.6° | 54.9° |
| C11 | C7 | N21 | C23 | 174.9° | 180.0° |
| C11 | C7 | N21 | HN22 | 5.2° | 0.1° |
| C7 | C11 | N2 | C4 | 136.9° | 60.0° |
| C22 | C11 | C7 | O2 | 34.1° | 120.0° |
| C11 | C22 | C32 | H212 | 120.0° | 119.9° |
| C11 | C22 | C32 | H222 | 117.7° | 120.0° |
| C11 | C22 | H212 | H222 | 117.9° | 119.9° |
| C11 | C22 | C32 | C41 | 165.0° | 180.0° |
| C11 | C22 | C32 | H311 | 45.0° | 60.0° |
| C11 | C22 | C32 | H321 | 74.0° | 60.0° |
| C22 | C11 | N2 | C4 | 102.0° | 60.0° |
| C22 | C11 | C7 | N21 | 151.6° | 60.0° |
| H1 | C11 | C7 | O2 | 155.2° | 120.0° |
| H1 | C11 | C22 | C32 | 36.8° | 55.0° |
| H1 | C11 | C22 | H212 | 83.1° | 175.0° |
| H1 | C11 | C22 | H222 | 154.5° | 65.0° |
| H1 | C11 | N2 | C4 | 19.2° | 180.0° |
| H1 | C11 | C7 | N21 | 30.5° | 60.0° |
| O2 | C7 | N21 | C23 | 1.3° | 0.1° |
| O2 | C7 | N21 | HN22 | 178.7° | 180.0° |
| C32 | C22 | H212 | H222 | 117.8° | 120.1° |
| C22 | C32 | C41 | H311 | 120.0° | 120.0° |
| C22 | C32 | C41 | H321 | 121.1° | 120.0° |
| C22 | C32 | H311 | H321 | 121.2° | 120.0° |
| C22 | C32 | C41 | C51 | 131.7° | 180.0° |
| C22 | C32 | C41 | H41 | 11.7° | 60.0° |
| C22 | C32 | C41 | H42 | 107.2° | 60.0° |
| H212 | C22 | C32 | C41 | 75.0° | 60.1° |
| H212 | C22 | C32 | H311 | 165.0° | 180.0° |
| H212 | C22 | C32 | H321 | 46.0° | 60.0° |
| H222 | C22 | C32 | C41 | 47.3° | 60.0° |
| H222 | C22 | C32 | H311 | 72.7° | 60.0° |
| H222 | C22 | C32 | H321 | 168.4° | 180.0° |
| C41 | C32 | H311 | H321 | 121.1° | 120.0° |
| C32 | C41 | C51 | H41 | 120.0° | 120.0° |
| C32 | C41 | C51 | H42 | 121.2° | 120.0° |
| C32 | C41 | H41 | H42 | 121.2° | 120.0° |
| C32 | C41 | C51 | H511 | 86.2° | 60.0° |
| C32 | C41 | C51 | H521 | 33.8° | 60.0° |
| C32 | C41 | C51 | H53 | 153.8° | 180.0° |
| H311 | C32 | C41 | C51 | 108.3° | 60.0° |
| H311 | C32 | C41 | H41 | 131.7° | 180.0° |
| H311 | C32 | C41 | H42 | 12.8° | 60.0° |
| H321 | C32 | C41 | C51 | 10.6° | 60.0° |
| H321 | C32 | C41 | H41 | 109.4° | 60.0° |
| H321 | C32 | C41 | H42 | 131.8° | 180.0° |
| C51 | C41 | H41 | H42 | 121.2° | 120.0° |
| C41 | C51 | H511 | H521 | 120.0° | 120.0° |
| C41 | C51 | H511 | H53 | 120.0° | 120.0° |
| C41 | C51 | H521 | H53 | 120.0° | 120.0° |
| H41 | C41 | C51 | H511 | 153.8° | 180.0° |
| H41 | C41 | C51 | H521 | 86.2° | 60.0° |
| H41 | C41 | C51 | H53 | 33.8° | 60.0° |
| H42 | C41 | C51 | H511 | 34.9° | 60.0° |
| H42 | C41 | C51 | H521 | 154.9° | 180.0° |
| H42 | C41 | C51 | H53 | 85.1° | 60.0° |
| H511 | C51 | H521 | H53 | 120.0° | 120.0° |
| C23 | C12 | O11 | H121 | 118.7° | 120.0° |
| C23 | C12 | O11 | C13 | 122.1° | 120.0° |
| C23 | C12 | H121 | C13 | 121.0° | 120.0° |
| C12 | C23 | C33 | N21 | 132.9° | 120.0° |
| C12 | C23 | C33 | H2 | 111.2° | 119.9° |
| C12 | C23 | N21 | H2 | 111.1° | 120.0° |
| C12 | C23 | C33 | C1'1 | 173.2° | 175.0° |
| C12 | C23 | C33 | H312 | 66.8° | 65.1° |
| C12 | C23 | C33 | H322 | 53.7° | 55.0° |
| C12 | C23 | N21 | HN22 | 82.9° | 25.0° |
| C23 | C12 | O11 | HO1 | 127.0° | 64.7° |
| C23 | C12 | C13 | C24 | 156.8° | 173.7° |
| C23 | C12 | C13 | H122 | 36.8° | 66.4° |
| C23 | C12 | C13 | H13 | 84.1° | 53.6° |
| C12 | C23 | N21 | C7 | 97.1° | 155.0° |
| O11 | C12 | H121 | C13 | 119.3° | 120.0° |
| O11 | C12 | C23 | C33 | 58.0° | 60.0° |
| O11 | C12 | C23 | N21 | 72.3° | 60.0° |
| O11 | C12 | C23 | H2 | 173.1° | 180.0° |
| O11 | C12 | C13 | C24 | 82.3° | 66.4° |
| O11 | C12 | C13 | H122 | 157.7° | 53.6° |
| O11 | C12 | C13 | H13 | 36.8° | 173.6° |
| H121 | C12 | C23 | C33 | 62.5° | 59.9° |
| H121 | C12 | C23 | N21 | 167.2° | 180.0° |
| H121 | C12 | C23 | H2 | 52.6° | 60.0° |
| H121 | C12 | O11 | HO1 | 8.3° | 175.2° |
| H121 | C12 | C13 | C24 | 38.2° | 53.6° |
| H121 | C12 | C13 | H122 | 81.8° | 173.5° |
| H121 | C12 | C13 | H13 | 157.3° | 66.5° |
| C33 | C23 | N21 | H2 | 116.3° | 120.1° |
| C23 | C33 | C1'1 | H312 | 120.0° | 120.0° |
| C23 | C33 | C1'1 | H322 | 119.5° | 120.0° |
| C23 | C33 | H312 | H322 | 119.5° | 120.1° |
| C23 | C33 | C1'1 | C2'1 | 175.2° | 175.0° |
| C23 | C33 | C1'1 | C6'1 | 65.6° | 65.0° |
| C23 | C33 | C1'1 | H1' | 55.0° | 55.0° |
| C33 | C23 | N21 | HN22 | 49.7° | 95.0° |
| C33 | C23 | N21 | C7 | 130.3° | 85.0° |
| C33 | C23 | C12 | C13 | 178.4° | 180.0° |
| N21 | C23 | C33 | C1'1 | 54.0° | 65.0° |
| N21 | C23 | C33 | H312 | 66.0° | 54.9° |
| N21 | C23 | C33 | H322 | 173.4° | 175.0° |
| C23 | N21 | HN22 | C7 | 180.0° | 180.0° |
| N21 | C23 | C12 | C13 | 48.1° | 60.0° |
| H2 | C23 | C33 | C1'1 | 62.0° | 55.0° |
| H2 | C23 | C33 | H312 | 178.0° | 175.0° |
| H2 | C23 | C33 | H322 | 57.5° | 64.9° |
| H2 | C23 | N21 | HN22 | 166.0° | 145.0° |
| H2 | C23 | N21 | C7 | 14.0° | 35.1° |
| H2 | C23 | C12 | C13 | 66.5° | 60.0° |
| C1'1 | C33 | H312 | H322 | 119.5° | 119.9° |
| C33 | C1'1 | C2'1 | C6'1 | 120.4° | 120.0° |
| C33 | C1'1 | C2'1 | H1' | 118.9° | 120.0° |
| C33 | C1'1 | C6'1 | H1' | 118.9° | 120.0° |
| C33 | C1'1 | C2'1 | C3'1 | 178.0° | 180.0° |
| C33 | C1'1 | C2'1 | H2'1 | 62.0° | 60.0° |
| C33 | C1'1 | C2'1 | H2'2 | 59.0° | 60.0° |
| C33 | C1'1 | C6'1 | C5'1 | 174.3° | 180.0° |
| C33 | C1'1 | C6'1 | H6'1 | 54.3° | 60.0° |
| C33 | C1'1 | C6'1 | H6'2 | 68.1° | 60.0° |
| H312 | C33 | C1'1 | C2'1 | 55.2° | 54.9° |
| H312 | C33 | C1'1 | C6'1 | 174.4° | 175.0° |
| H312 | C33 | C1'1 | H1' | 65.0° | 65.0° |
| H322 | C33 | C1'1 | C2'1 | 65.3° | 65.0° |
| H322 | C33 | C1'1 | C6'1 | 53.8° | 55.0° |
| H322 | C33 | C1'1 | H1' | 174.5° | 175.0° |
| C2'1 | C1'1 | C6'1 | H1' | 120.2° | 120.0° |
| C1'1 | C2'1 | C3'1 | H2'1 | 120.0° | 120.0° |
| C1'1 | C2'1 | C3'1 | H2'2 | 118.9° | 120.0° |
| C1'1 | C2'1 | H2'1 | H2'2 | 119.0° | 120.0° |
| C1'1 | C2'1 | C3'1 | C4'1 | 56.6° | 60.0° |
| C1'1 | C2'1 | C3'1 | H3'1 | 63.4° | 60.0° |
| C1'1 | C2'1 | C3'1 | H3'2 | 174.9° | 180.0° |
| C2'1 | C1'1 | C6'1 | C5'1 | 53.4° | 60.0° |
| C2'1 | C1'1 | C6'1 | H6'1 | 66.6° | 60.0° |
| C2'1 | C1'1 | C6'1 | H6'2 | 171.0° | 180.0° |
| C6'1 | C1'1 | C2'1 | C3'1 | 57.5° | 60.0° |
| C6'1 | C1'1 | C2'1 | H2'1 | 177.5° | 180.0° |
| C6'1 | C1'1 | C2'1 | H2'2 | 61.4° | 60.0° |
| C1'1 | C6'1 | C5'1 | C4'1 | 47.0° | 60.0° |
| C1'1 | C6'1 | C5'1 | H6'1 | 120.0° | 120.0° |
| C1'1 | C6'1 | C5'1 | H6'2 | 117.6° | 120.0° |
| C1'1 | C6'1 | C5'1 | H5'1 | 73.0° | 60.0° |
| C1'1 | C6'1 | C5'1 | H5'2 | 164.7° | 180.0° |
| C1'1 | C6'1 | H6'1 | H6'2 | 117.8° | 120.0° |
| H1' | C1'1 | C2'1 | C3'1 | 63.1° | 60.1° |
| H1' | C1'1 | C2'1 | H2'1 | 56.9° | 59.9° |
| H1' | C1'1 | C2'1 | H2'2 | 177.9° | 180.0° |
| H1' | C1'1 | C6'1 | C5'1 | 66.8° | 60.0° |
| H1' | C1'1 | C6'1 | H6'1 | 173.2° | 180.0° |
| H1' | C1'1 | C6'1 | H6'2 | 50.8° | 60.0° |
| C3'1 | C2'1 | H2'1 | H2'2 | 119.0° | 120.0° |
| C2'1 | C3'1 | C4'1 | H3'1 | 120.0° | 120.0° |
| C2'1 | C3'1 | C4'1 | H3'2 | 118.3° | 120.0° |
| C2'1 | C3'1 | H3'1 | H3'2 | 118.4° | 120.0° |
| C2'1 | C3'1 | C4'1 | C5'1 | 47.3° | 60.0° |
| C2'1 | C3'1 | C4'1 | H4'1 | 167.3° | 180.0° |
| C2'1 | C3'1 | C4'1 | H4'2 | 71.1° | 60.0° |
| H2'1 | C2'1 | C3'1 | C4'1 | 176.6° | 180.0° |
| H2'1 | C2'1 | C3'1 | H3'1 | 56.6° | 60.0° |
| H2'1 | C2'1 | C3'1 | H3'2 | 65.1° | 60.0° |
| H2'2 | C2'1 | C3'1 | C4'1 | 62.3° | 60.0° |
| H2'2 | C2'1 | C3'1 | H3'1 | 177.7° | 180.0° |
| H2'2 | C2'1 | C3'1 | H3'2 | 56.0° | 60.1° |
| C4'1 | C3'1 | H3'1 | H3'2 | 118.4° | 120.0° |
| C3'1 | C4'1 | C5'1 | H4'1 | 120.0° | 120.0° |
| C3'1 | C4'1 | C5'1 | H4'2 | 118.4° | 120.0° |
| C3'1 | C4'1 | H4'1 | H4'2 | 118.5° | 120.0° |
| C3'1 | C4'1 | C5'1 | C6'1 | 42.3° | 60.0° |
| C3'1 | C4'1 | C5'1 | H5'1 | 77.7° | 60.0° |
| C3'1 | C4'1 | C5'1 | H5'2 | 160.1° | 180.0° |
| H3'1 | C3'1 | C4'1 | C5'1 | 72.7° | 60.0° |
| H3'1 | C3'1 | C4'1 | H4'1 | 47.3° | 59.9° |
| H3'1 | C3'1 | C4'1 | H4'2 | 168.9° | 180.0° |
| H3'2 | C3'1 | C4'1 | C5'1 | 165.6° | 180.0° |
| H3'2 | C3'1 | C4'1 | H4'1 | 74.4° | 60.0° |
| H3'2 | C3'1 | C4'1 | H4'2 | 47.2° | 60.0° |
| C5'1 | C4'1 | H4'1 | H4'2 | 118.4° | 120.0° |
| C4'1 | C5'1 | C6'1 | H5'1 | 120.0° | 120.0° |
| C4'1 | C5'1 | C6'1 | H5'2 | 117.7° | 120.0° |
| C4'1 | C5'1 | H5'1 | H5'2 | 117.9° | 120.0° |
| C4'1 | C5'1 | C6'1 | H6'1 | 73.0° | 60.0° |
| C4'1 | C5'1 | C6'1 | H6'2 | 164.6° | 180.0° |
| H4'1 | C4'1 | C5'1 | C6'1 | 162.4° | 180.0° |
| H4'1 | C4'1 | C5'1 | H5'1 | 42.3° | 60.0° |
| H4'1 | C4'1 | C5'1 | H5'2 | 79.9° | 60.0° |
| H4'2 | C4'1 | C5'1 | C6'1 | 76.0° | 60.0° |
| H4'2 | C4'1 | C5'1 | H5'1 | 163.9° | 180.0° |
| H4'2 | C4'1 | C5'1 | H5'2 | 41.7° | 60.0° |
| C6'1 | C5'1 | H5'1 | H5'2 | 117.9° | 120.0° |
| C5'1 | C6'1 | H6'1 | H6'2 | 117.8° | 120.0° |
| H5'1 | C5'1 | C6'1 | H6'1 | 167.0° | 180.0° |
| H5'1 | C5'1 | C6'1 | H6'2 | 44.6° | 60.0° |
| H5'2 | C5'1 | C6'1 | H6'1 | 44.7° | 60.0° |
| H5'2 | C5'1 | C6'1 | H6'2 | 77.7° | 60.0° |
| HO1 | O11 | C12 | C13 | 110.9° | 55.2° |
| C24 | C13 | H122 | H13 | 119.1° | 120.1° |
| C24 | C13 | H122 | C12 | 121.8° | 120.0° |
| C24 | C13 | H13 | C12 | 121.2° | 120.0° |
| C13 | C24 | C8 | C1'2 | 113.5° | 120.1° |
| C13 | C24 | C8 | H24 | 123.2° | 119.9° |
| C13 | C24 | C1'2 | H24 | 123.0° | 120.0° |
| C13 | C24 | C8 | O3 | 30.8° | 12.8° |
| C13 | C24 | C1'2 | C2'2 | 176.5° | 61.3° |
| C13 | C24 | C1'2 | C3'2 | 52.0° | 178.7° |
| C13 | C24 | C1'2 | H1'1 | 61.2° | 58.7° |
| C13 | C24 | C8 | N3 | 124.3° | 167.3° |
| H122 | C13 | H13 | C12 | 119.4° | 120.0° |
| H122 | C13 | C24 | C8 | 35.2° | 66.5° |
| H122 | C13 | C24 | C1'2 | 79.4° | 53.6° |
| H122 | C13 | C24 | H24 | 157.5° | 173.6° |
| H13 | C13 | C24 | C8 | 156.1° | 53.6° |
| H13 | C13 | C24 | C1'2 | 41.5° | 173.6° |
| H13 | C13 | C24 | H24 | 81.6° | 66.4° |
| C8 | C24 | C1'2 | H24 | 122.3° | 120.0° |
| C24 | C8 | O3 | N3 | 151.0° | 180.0° |
| C8 | C24 | C1'2 | C2'2 | 68.8° | 58.7° |
| C8 | C24 | C1'2 | C3'2 | 62.7° | 61.3° |
| C8 | C24 | C1'2 | H1'1 | 175.9° | 178.7° |
| C24 | C8 | N3 | C14 | 177.4° | 175.6° |
| C24 | C8 | N3 | HN21 | 2.6° | 4.4° |
| C8 | C24 | C13 | C12 | 84.8° | 173.6° |
| C1'2 | C24 | C8 | O3 | 82.7° | 107.3° |
| C24 | C1'2 | C2'2 | C3'2 | 133.0° | 120.0° |
| C24 | C1'2 | C2'2 | H1'1 | 113.1° | 120.0° |
| C24 | C1'2 | C3'2 | H1'1 | 112.6° | 120.0° |
| C24 | C1'2 | C2'2 | H2'3 | 39.4° | 64.7° |
| C24 | C1'2 | C2'2 | H2'4 | 80.6° | 175.2° |
| C24 | C1'2 | C2'2 | H2'5 | 159.4° | 55.2° |
| C24 | C1'2 | C3'2 | H3'3 | 82.0° | 50.4° |
| C24 | C1'2 | C3'2 | H3'4 | 38.0° | 170.5° |
| C24 | C1'2 | C3'2 | H3'5 | 158.0° | 69.5° |
| C1'2 | C24 | C13 | C12 | 160.6° | 66.4° |
| C1'2 | C24 | C8 | N3 | 122.1° | 72.6° |
| H24 | C24 | C8 | O3 | 154.0° | 132.7° |
| H24 | C24 | C1'2 | C2'2 | 53.5° | 178.7° |
| H24 | C24 | C1'2 | C3'2 | 175.0° | 58.7° |
| H24 | C24 | C1'2 | H1'1 | 61.8° | 61.3° |
| H24 | C24 | C13 | C12 | 37.5° | 53.6° |
| H24 | C24 | C8 | N3 | 1.1° | 47.3° |
| O3 | C8 | N3 | C14 | 29.8° | 4.4° |
| O3 | C8 | N3 | HN21 | 150.2° | 175.6° |
| C2'2 | C1'2 | C3'2 | H1'1 | 115.5° | 120.0° |
| C1'2 | C2'2 | H2'3 | H2'4 | 120.0° | 120.0° |
| C1'2 | C2'2 | H2'3 | H2'5 | 120.0° | 120.0° |
| C1'2 | C2'2 | H2'4 | H2'5 | 120.0° | 120.0° |
| C2'2 | C1'2 | C3'2 | H3'3 | 146.1° | 170.5° |
| C2'2 | C1'2 | C3'2 | H3'4 | 93.9° | 69.5° |
| C2'2 | C1'2 | C3'2 | H3'5 | 26.1° | 50.5° |
| C3'2 | C1'2 | C2'2 | H2'3 | 93.5° | 55.3° |
| C3'2 | C1'2 | C2'2 | H2'4 | 146.5° | 64.8° |
| C3'2 | C1'2 | C2'2 | H2'5 | 26.5° | 175.3° |
| C1'2 | C3'2 | H3'3 | H3'4 | 120.0° | 120.1° |
| C1'2 | C3'2 | H3'3 | H3'5 | 120.0° | 120.0° |
| C1'2 | C3'2 | H3'4 | H3'5 | 120.0° | 120.0° |
| H1'1 | C1'2 | C2'2 | H2'3 | 152.6° | 175.3° |
| H1'1 | C1'2 | C2'2 | H2'4 | 32.6° | 55.2° |
| H1'1 | C1'2 | C2'2 | H2'5 | 87.4° | 64.8° |
| H1'1 | C1'2 | C3'2 | H3'3 | 30.6° | 69.6° |
| H1'1 | C1'2 | C3'2 | H3'4 | 150.6° | 50.5° |
| H1'1 | C1'2 | C3'2 | H3'5 | 89.4° | 170.5° |
| H2'3 | C2'2 | H2'4 | H2'5 | 120.0° | 120.0° |
| H3'3 | C3'2 | H3'4 | H3'5 | 120.0° | 119.9° |
| N3 | C14 | C25 | H111 | 120.0° | 120.0° |
| N3 | C14 | C25 | H123 | 120.4° | 119.9° |
| N3 | C14 | H111 | H123 | 120.4° | 119.9° |
| C14 | N3 | HN21 | C8 | 180.0° | 180.0° |
| N3 | C14 | C25 | C34 | 163.5° | 180.0° |
| N3 | C14 | C25 | H213 | 76.5° | 60.0° |
| N3 | C14 | C25 | H223 | 47.1° | 60.0° |
| C25 | C14 | H111 | H123 | 120.5° | 120.0° |
| C25 | C14 | N3 | HN21 | 50.5° | 0.0° |
| C14 | C25 | C34 | H213 | 120.0° | 120.0° |
| C14 | C25 | C34 | H223 | 116.4° | 120.0° |
| C14 | C25 | H213 | H223 | 116.8° | 120.0° |
| C14 | C25 | C34 | C42 | 61.1° | 180.0° |
| C14 | C25 | C34 | H313 | 178.9° | 60.0° |
| C14 | C25 | C34 | H323 | 57.4° | 60.0° |
| C25 | C14 | N3 | C8 | 129.5° | 180.0° |
| H111 | C14 | N3 | HN21 | 170.5° | 120.0° |
| H111 | C14 | C25 | C34 | 43.4° | 60.0° |
| H111 | C14 | C25 | H213 | 163.5° | 180.0° |
| H111 | C14 | C25 | H223 | 72.9° | 60.0° |
| H111 | C14 | N3 | C8 | 9.5° | 60.0° |
| H123 | C14 | N3 | HN21 | 69.9° | 120.0° |
| H123 | C14 | C25 | C34 | 76.1° | 60.0° |
| H123 | C14 | C25 | H213 | 43.9° | 59.9° |
| H123 | C14 | C25 | H223 | 167.5° | 179.9° |
| H123 | C14 | N3 | C8 | 110.1° | 60.0° |
| C34 | C25 | H213 | H223 | 116.8° | 120.1° |
| C25 | C34 | C42 | H313 | 120.0° | 120.0° |
| C25 | C34 | C42 | H323 | 118.4° | 120.0° |
| C25 | C34 | H313 | H323 | 118.5° | 120.1° |
| C25 | C34 | C42 | H411 | 56.8° | 180.0° |
| C25 | C34 | C42 | H421 | 63.2° | 60.0° |
| C25 | C34 | C42 | H43 | 176.8° | 60.0° |
| H213 | C25 | C34 | C42 | 59.0° | 60.0° |
| H213 | C25 | C34 | H313 | 61.1° | 180.0° |
| H213 | C25 | C34 | H323 | 177.4° | 60.0° |
| H223 | C25 | C34 | C42 | 177.4° | 60.0° |
| H223 | C25 | C34 | H313 | 62.5° | 60.0° |
| H223 | C25 | C34 | H323 | 59.0° | NaN° |
| C42 | C34 | H313 | H323 | 118.5° | 120.0° |
| C34 | C42 | H411 | H421 | 120.0° | 120.1° |
| C34 | C42 | H411 | H43 | 120.0° | 120.0° |
| C34 | C42 | H421 | H43 | 120.0° | 120.0° |
| H313 | C34 | C42 | H411 | 176.8° | 60.0° |
| H313 | C34 | C42 | H421 | 56.8° | 180.0° |
| H313 | C34 | C42 | H43 | 63.2° | 60.0° |
| H323 | C34 | C42 | H411 | 61.6° | 60.0° |
| H323 | C34 | C42 | H421 | 178.4° | 60.1° |
| H323 | C34 | C42 | H43 | 58.4° | 180.0° |
| H411 | C42 | H421 | H43 | 120.0° | 119.9° |
