XMD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.36Å | 1.46Å | Aromatic |
| C1 | C6 | doub | 1.41Å | 1.46Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | C5 | doub | 1.39Å | 1.48Å | Aromatic |
| C2 | S12 | sing | 1.76Å | 1.76Å | |
| C3 | C4 | doub | 1.41Å | 1.48Å | Aromatic |
| C3 | C6 | sing | 1.42Å | 1.53Å | Aromatic |
| C3 | C9 | sing | 1.40Å | 1.47Å | Aromatic |
| C4 | C5 | sing | 1.36Å | 1.44Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | C8 | sing | 1.40Å | 1.47Å | Aromatic |
| CL7 | C11 | sing | 1.74Å | 1.77Å | |
| C8 | C10 | doub | 1.36Å | 1.43Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | C11 | doub | 1.36Å | 1.45Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | C11 | sing | 1.39Å | 1.47Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| S12 | O13 | doub | 1.42Å | 1.55Å | |
| S12 | N21 | sing | 1.66Å | 1.73Å | |
| S12 | O26 | doub | 1.42Å | 1.54Å | |
| C14 | C15 | sing | 1.51Å | 1.55Å | |
| C14 | C20 | sing | 1.53Å | 1.57Å | |
| C14 | N25 | sing | 1.46Å | 1.54Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | O16 | sing | 1.34Å | 1.38Å | |
| C15 | O19 | doub | 1.21Å | 1.22Å | |
| O16 | C17 | sing | 1.45Å | 1.48Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| C20 | N21 | sing | 1.47Å | 1.50Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| N21 | C24 | sing | 1.47Å | 1.50Å | |
| C22 | O23 | doub | 1.21Å | 1.23Å | |
| C22 | C24 | sing | 1.50Å | 1.57Å | |
| C22 | N25 | sing | 1.33Å | 1.45Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| N25 | C27 | sing | 1.47Å | 1.51Å | |
| C27 | C35 | sing | 1.53Å | 1.57Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C28 | C31 | doub | 1.38Å | 1.44Å | Aromatic |
| C28 | N37 | sing | 1.32Å | 1.39Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| N29 | C30 | sing | 1.39Å | 1.51Å | |
| N29 | C32 | sing | 1.47Å | 1.52Å | |
| N29 | C34 | sing | 1.47Å | 1.52Å | |
| C30 | C31 | sing | 1.39Å | 1.48Å | Aromatic |
| C30 | C33 | doub | 1.40Å | 1.49Å | Aromatic |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C32 | C36 | sing | 1.53Å | 1.56Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C33 | C38 | sing | 1.38Å | 1.44Å | Aromatic |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C34 | C39 | sing | 1.53Å | 1.57Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C35 | C36 | sing | 1.53Å | 1.59Å | |
| C35 | C39 | sing | 1.53Å | 1.60Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| N37 | C38 | doub | 1.32Å | 1.38Å | Aromatic |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 122.1° | 119.7° |
| C2 | C1 | H1 | 119.0° | 120.2° |
| C1 | C2 | C5 | 118.2° | 121.0° |
| C1 | C2 | S12 | 120.9° | 119.5° |
| C6 | C1 | H1 | 119.0° | 120.2° |
| C1 | C6 | C3 | 118.7° | 119.3° |
| C1 | C6 | C8 | 122.9° | 121.3° |
| C5 | C2 | S12 | 120.8° | 119.5° |
| C2 | C5 | C4 | 122.2° | 121.0° |
| C2 | C5 | H5 | 118.9° | 119.5° |
| C2 | S12 | O13 | 111.3° | 105.7° |
| C2 | S12 | N21 | 111.4° | 107.4° |
| C2 | S12 | O26 | 110.4° | 105.8° |
| C4 | C3 | C6 | 118.3° | 119.4° |
| C4 | C3 | C9 | 123.1° | 121.3° |
| C3 | C4 | C5 | 120.4° | 119.7° |
| C3 | C4 | H4 | 119.8° | 120.2° |
| C6 | C3 | C9 | 118.5° | 119.3° |
| C3 | C6 | C8 | 118.4° | 119.4° |
| C3 | C9 | C11 | 121.4° | 119.7° |
| C3 | C9 | H9 | 119.3° | 120.2° |
| C5 | C4 | H4 | 119.8° | 120.2° |
| C4 | C5 | H5 | 118.9° | 119.5° |
| C6 | C8 | C10 | 120.6° | 119.7° |
| C6 | C8 | H8 | 119.7° | 120.2° |
| CL7 | C11 | C9 | 120.6° | 119.5° |
| CL7 | C11 | C10 | 120.2° | 119.6° |
| C10 | C8 | H8 | 119.7° | 120.2° |
| C8 | C10 | C11 | 121.9° | 121.0° |
| C8 | C10 | H10 | 119.1° | 119.5° |
| C11 | C9 | H9 | 119.3° | 120.2° |
| C9 | C11 | C10 | 119.1° | 120.9° |
| C11 | C10 | H10 | 119.1° | 119.5° |
| O13 | S12 | N21 | 107.4° | 105.8° |
| O13 | S12 | O26 | 108.2° | 125.4° |
| N21 | S12 | O26 | 108.0° | 105.7° |
| S12 | N21 | C20 | 118.3° | 121.4° |
| S12 | N21 | C24 | 117.0° | 121.3° |
| C15 | C14 | C20 | 110.7° | 109.2° |
| C15 | C14 | N25 | 120.5° | 109.2° |
| C15 | C14 | H14 | 101.6° | 109.2° |
| C14 | C15 | O16 | 112.7° | 120.0° |
| C14 | C15 | O19 | 123.0° | 120.0° |
| C20 | C14 | N25 | 113.6° | 110.8° |
| C20 | C14 | H14 | 110.9° | 109.2° |
| C14 | C20 | N21 | 112.7° | 108.2° |
| C14 | C20 | H201 | 107.7° | 109.7° |
| C14 | C20 | H202 | 108.4° | 109.7° |
| N25 | C14 | H14 | 97.6° | 109.2° |
| C14 | N25 | C22 | 120.4° | 124.6° |
| C14 | N25 | C27 | 120.1° | 117.7° |
| O16 | C15 | O19 | 124.3° | 120.0° |
| C15 | O16 | C17 | 119.4° | 120.0° |
| O16 | C17 | C18 | 110.2° | 109.4° |
| O16 | C17 | H171 | 109.1° | 109.4° |
| O16 | C17 | H172 | 109.3° | 109.5° |
| C18 | C17 | H171 | 109.1° | 109.4° |
| C18 | C17 | H172 | 109.2° | 109.4° |
| C17 | C18 | H181 | 109.5° | 109.5° |
| C17 | C18 | H182 | 109.5° | 109.4° |
| C17 | C18 | H183 | 109.5° | 109.5° |
| H171 | C17 | H172 | 110.0° | 109.6° |
| H181 | C18 | H182 | 109.5° | 109.5° |
| H181 | C18 | H183 | 109.5° | 109.5° |
| H182 | C18 | H183 | 109.5° | 109.5° |
| N21 | C20 | H201 | 107.7° | 109.7° |
| N21 | C20 | H202 | 108.4° | 109.7° |
| C20 | N21 | C24 | 115.5° | 117.3° |
| H201 | C20 | H202 | 112.0° | 109.8° |
| N21 | C24 | C22 | 119.6° | 108.9° |
| N21 | C24 | H241 | 103.9° | 109.6° |
| N21 | C24 | H242 | 106.2° | 109.6° |
| O23 | C22 | C24 | 116.8° | 118.5° |
| O23 | C22 | N25 | 124.7° | 118.5° |
| C24 | C22 | N25 | 118.5° | 123.0° |
| C22 | C24 | H241 | 103.9° | 109.6° |
| C22 | C24 | H242 | 106.2° | 109.6° |
| C22 | N25 | C27 | 119.5° | 117.7° |
| H241 | C24 | H242 | 117.8° | 109.6° |
| N25 | C27 | C35 | 119.3° | 109.4° |
| N25 | C27 | H271 | 104.0° | 109.5° |
| N25 | C27 | H272 | 106.3° | 109.4° |
| C35 | C27 | H271 | 104.0° | 109.5° |
| C35 | C27 | H272 | 106.3° | 109.5° |
| C27 | C35 | C36 | 113.4° | 109.6° |
| C27 | C35 | C39 | 117.2° | 109.6° |
| C27 | C35 | H35 | 103.9° | 109.6° |
| H271 | C27 | H272 | 117.5° | 109.5° |
| C31 | C28 | N37 | 122.9° | 120.9° |
| C31 | C28 | H28 | 118.6° | 119.6° |
| C28 | C31 | C30 | 119.5° | 119.1° |
| C28 | C31 | H31 | 120.3° | 120.5° |
| N37 | C28 | H28 | 118.6° | 119.6° |
| C28 | N37 | C38 | 119.4° | 121.9° |
| C30 | N29 | C32 | 122.8° | 106.7° |
| C30 | N29 | C34 | 122.9° | 106.7° |
| N29 | C30 | C31 | 122.0° | 120.9° |
| N29 | C30 | C33 | 122.0° | 120.8° |
| C32 | N29 | C34 | 114.2° | 107.4° |
| N29 | C32 | C36 | 115.5° | 109.8° |
| N29 | C32 | H321 | 106.1° | 109.4° |
| N29 | C32 | H322 | 107.5° | 109.5° |
| N29 | C34 | C39 | 115.4° | 109.8° |
| N29 | C34 | H341 | 106.2° | 109.4° |
| N29 | C34 | H342 | 107.5° | 109.4° |
| C31 | C30 | C33 | 116.0° | 118.2° |
| C30 | C31 | H31 | 120.2° | 120.4° |
| C30 | C33 | C38 | 119.4° | 119.1° |
| C30 | C33 | H33 | 120.3° | 120.5° |
| C36 | C32 | H321 | 106.1° | 109.3° |
| C36 | C32 | H322 | 107.5° | 109.4° |
| C32 | C36 | C35 | 117.2° | 109.3° |
| C32 | C36 | H361 | 105.2° | 109.5° |
| C32 | C36 | H362 | 107.0° | 109.5° |
| H321 | C32 | H322 | 114.3° | 109.4° |
| C38 | C33 | H33 | 120.3° | 120.5° |
| C33 | C38 | N37 | 122.8° | 120.9° |
| C33 | C38 | H38 | 118.6° | 119.6° |
| C39 | C34 | H341 | 106.2° | 109.4° |
| C39 | C34 | H342 | 107.5° | 109.4° |
| C34 | C39 | C35 | 117.0° | 109.2° |
| C34 | C39 | H391 | 105.3° | 109.5° |
| C34 | C39 | H392 | 107.1° | 109.5° |
| H341 | C34 | H342 | 114.2° | 109.4° |
| C36 | C35 | C39 | 117.5° | 108.9° |
| C36 | C35 | H35 | 103.5° | 109.5° |
| C35 | C36 | H361 | 105.2° | 109.5° |
| C35 | C36 | H362 | 107.0° | 109.5° |
| C39 | C35 | H35 | 97.6° | 109.7° |
| C35 | C39 | H391 | 105.3° | 109.5° |
| C35 | C39 | H392 | 107.0° | 109.5° |
| H361 | C36 | H362 | 115.8° | 109.6° |
| N37 | C38 | H38 | 118.6° | 119.5° |
| H391 | C39 | H392 | 115.6° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 179.7° |
| C1 | C2 | C5 | S12 | 179.9° | 179.6° |
| C2 | C1 | C6 | C3 | 0.1° | 0.6° |
| C1 | C2 | C5 | C4 | 0.1° | 0.4° |
| C1 | C2 | C5 | H5 | 179.9° | 179.7° |
| C2 | C1 | C6 | C8 | 179.7° | 179.8° |
| C1 | C2 | S12 | O13 | 17.4° | 157.1° |
| C1 | C2 | S12 | N21 | 102.4° | 90.3° |
| C1 | C2 | S12 | O26 | 137.5° | 22.3° |
| C6 | C1 | C2 | C5 | 0.2° | 0.6° |
| C6 | C1 | C2 | S12 | 179.7° | 179.7° |
| C1 | C6 | C3 | C4 | 0.1° | 0.3° |
| C1 | C6 | C3 | C8 | 179.8° | 179.6° |
| C1 | C6 | C3 | C9 | 179.7° | 179.7° |
| C1 | C6 | C8 | C10 | 179.6° | 179.7° |
| C1 | C6 | C8 | H8 | 0.4° | 0.4° |
| H1 | C1 | C2 | C5 | 179.9° | 179.6° |
| H1 | C1 | C2 | S12 | 0.3° | 0.0° |
| H1 | C1 | C6 | C3 | 179.9° | 179.6° |
| H1 | C1 | C6 | C8 | 0.2° | 0.0° |
| C2 | C5 | C4 | C3 | 0.0° | 0.1° |
| C2 | C5 | C4 | H5 | 180.0° | 179.9° |
| C2 | C5 | C4 | H4 | 180.0° | 179.8° |
| C5 | C2 | S12 | O13 | 162.5° | 22.5° |
| C5 | C2 | S12 | N21 | 77.7° | 90.1° |
| C5 | C2 | S12 | O26 | 42.3° | 157.4° |
| S12 | C2 | C5 | C4 | 179.8° | 180.0° |
| S12 | C2 | C5 | H5 | 0.2° | 0.1° |
| C2 | S12 | O13 | N21 | 122.2° | 113.7° |
| C2 | S12 | O13 | O26 | 121.5° | 123.2° |
| C2 | S12 | N21 | O26 | 121.4° | 112.6° |
| C2 | S12 | N21 | C20 | 48.8° | 90.0° |
| C2 | S12 | N21 | C24 | 96.5° | 90.0° |
| C4 | C3 | C6 | C9 | 179.7° | 180.0° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | H5 | 180.0° | 180.0° |
| C4 | C3 | C6 | C8 | 179.9° | 179.9° |
| C4 | C3 | C9 | C11 | 179.7° | 180.0° |
| C4 | C3 | C9 | H9 | 0.3° | 0.1° |
| C6 | C3 | C4 | C5 | 0.1° | 0.1° |
| C6 | C3 | C4 | H4 | 179.9° | 179.9° |
| C3 | C6 | C8 | C10 | 0.2° | 0.1° |
| C3 | C6 | C8 | H8 | 179.8° | 180.0° |
| C6 | C3 | C9 | C11 | 0.0° | 0.0° |
| C6 | C3 | C9 | H9 | 180.0° | 179.9° |
| C9 | C3 | C4 | C5 | 179.6° | 180.0° |
| C9 | C3 | C4 | H4 | 0.4° | 0.1° |
| C9 | C3 | C6 | C8 | 0.1° | 0.1° |
| C3 | C9 | C11 | CL7 | 179.7° | 180.0° |
| C3 | C9 | C11 | H9 | 180.0° | 179.9° |
| C3 | C9 | C11 | C10 | 0.1° | 0.1° |
| H4 | C4 | C5 | H5 | 0.0° | 0.1° |
| C6 | C8 | C10 | H8 | 180.0° | 180.0° |
| C6 | C8 | C10 | C11 | 0.1° | 0.0° |
| C6 | C8 | C10 | H10 | 179.9° | 180.0° |
| CL7 | C11 | C10 | C8 | 179.8° | 180.0° |
| CL7 | C11 | C9 | C10 | 179.8° | 179.9° |
| CL7 | C11 | C9 | H9 | 0.3° | 0.1° |
| CL7 | C11 | C10 | H10 | 0.2° | 0.0° |
| C8 | C10 | C11 | C9 | 0.0° | 0.1° |
| C8 | C10 | C11 | H10 | 180.0° | 180.0° |
| H8 | C8 | C10 | C11 | 179.9° | 180.0° |
| H8 | C8 | C10 | H10 | 0.1° | 0.0° |
| C9 | C11 | C10 | H10 | 180.0° | 180.0° |
| H9 | C9 | C11 | C10 | 179.9° | 180.0° |
| O13 | S12 | N21 | O26 | 116.5° | 134.8° |
| O13 | S12 | N21 | C20 | 73.3° | 157.4° |
| O13 | S12 | N21 | C24 | 141.4° | 22.6° |
| S12 | N21 | C20 | C14 | 166.5° | 118.5° |
| S12 | N21 | C20 | C24 | 145.8° | 180.0° |
| S12 | N21 | C20 | H201 | 74.9° | 1.2° |
| S12 | N21 | C20 | H202 | 46.5° | 121.9° |
| S12 | N21 | C24 | C22 | 169.2° | 137.2° |
| S12 | N21 | C24 | H241 | 54.2° | 17.4° |
| S12 | N21 | C24 | H242 | 70.7° | 102.9° |
| O26 | S12 | N21 | C20 | 170.3° | 22.6° |
| O26 | S12 | N21 | C24 | 24.9° | 157.4° |
| C15 | C14 | C20 | N25 | 139.2° | 120.4° |
| C15 | C14 | C20 | H14 | 112.0° | 119.4° |
| C15 | C14 | N25 | H14 | 108.3° | 119.4° |
| C14 | C15 | O16 | O19 | 178.5° | 179.9° |
| C14 | C15 | O16 | C17 | 127.1° | 180.0° |
| C15 | C14 | C20 | N21 | 171.2° | 167.1° |
| C15 | C14 | C20 | H201 | 70.2° | 73.3° |
| C15 | C14 | C20 | H202 | 51.2° | 47.4° |
| C15 | C14 | N25 | C22 | 161.3° | 142.2° |
| C15 | C14 | N25 | C27 | 19.7° | 37.8° |
| C20 | C14 | N25 | H14 | 116.8° | 120.3° |
| C20 | C14 | C15 | O16 | 99.6° | 93.8° |
| C20 | C14 | C15 | O19 | 81.8° | 86.2° |
| C14 | C20 | N21 | H201 | 118.6° | 119.7° |
| C14 | C20 | N21 | H202 | 120.0° | 119.7° |
| C14 | C20 | H201 | H202 | 119.1° | 120.6° |
| C14 | C20 | N21 | C24 | 47.7° | 61.5° |
| C20 | C14 | N25 | C22 | 26.5° | 21.9° |
| C20 | C14 | N25 | C27 | 154.5° | 158.1° |
| N25 | C14 | C15 | O16 | 124.4° | 144.9° |
| N25 | C14 | C15 | O19 | 54.2° | 35.0° |
| N25 | C14 | C20 | N21 | 49.5° | 46.7° |
| N25 | C14 | C20 | H201 | 69.1° | 166.4° |
| N25 | C14 | C20 | H202 | 169.5° | 72.9° |
| C14 | N25 | C22 | O23 | 179.0° | 175.7° |
| C14 | N25 | C22 | C24 | 1.7° | 4.3° |
| C14 | N25 | C22 | C27 | 179.0° | 180.0° |
| C14 | N25 | C27 | C35 | 105.0° | 95.8° |
| C14 | N25 | C27 | H271 | 139.7° | 144.1° |
| C14 | N25 | C27 | H272 | 15.0° | 24.1° |
| H14 | C14 | C15 | O16 | 18.2° | 25.6° |
| H14 | C14 | C15 | O19 | 160.3° | 154.4° |
| H14 | C14 | C20 | N21 | 59.2° | 73.5° |
| H14 | C14 | C20 | H201 | 177.8° | 46.1° |
| H14 | C14 | C20 | H202 | 60.8° | 166.8° |
| H14 | C14 | N25 | C22 | 90.3° | 98.4° |
| H14 | C14 | N25 | C27 | 88.6° | 81.6° |
| C15 | O16 | C17 | C18 | 137.6° | 180.0° |
| C15 | O16 | C17 | H171 | 102.7° | 60.1° |
| C15 | O16 | C17 | H172 | 17.6° | 60.1° |
| O19 | C15 | O16 | C17 | 51.4° | 0.0° |
| O16 | C17 | C18 | H171 | 119.7° | 119.9° |
| O16 | C17 | C18 | H172 | 120.0° | 120.0° |
| O16 | C17 | H171 | H172 | 119.8° | 120.1° |
| O16 | C17 | C18 | H181 | 72.9° | 180.0° |
| O16 | C17 | C18 | H182 | 47.1° | 60.0° |
| O16 | C17 | C18 | H183 | 167.1° | 60.0° |
| C18 | C17 | H171 | H172 | 119.8° | 120.0° |
| C17 | C18 | H181 | H182 | 120.0° | 120.0° |
| C17 | C18 | H181 | H183 | 120.0° | 120.0° |
| C17 | C18 | H182 | H183 | 120.0° | 120.0° |
| H171 | C17 | C18 | H181 | 167.4° | 60.1° |
| H171 | C17 | C18 | H182 | 72.6° | 59.9° |
| H171 | C17 | C18 | H183 | 47.4° | 179.9° |
| H172 | C17 | C18 | H181 | 47.2° | 60.1° |
| H172 | C17 | C18 | H182 | 167.1° | 179.9° |
| H172 | C17 | C18 | H183 | 72.8° | 60.0° |
| H181 | C18 | H182 | H183 | 120.0° | 120.0° |
| N21 | C20 | H201 | H202 | 119.1° | 120.6° |
| C20 | N21 | C24 | C22 | 22.9° | 42.8° |
| C20 | N21 | C24 | H241 | 92.1° | 162.6° |
| C20 | N21 | C24 | H242 | 143.0° | 77.1° |
| H201 | C20 | N21 | C24 | 70.9° | 178.8° |
| H202 | C20 | N21 | C24 | 167.7° | 58.2° |
| N21 | C24 | C22 | O23 | 178.4° | 167.3° |
| N21 | C24 | C22 | H241 | 115.1° | 119.8° |
| N21 | C24 | C22 | H242 | 120.0° | 119.9° |
| N21 | C24 | C22 | N25 | 1.0° | 12.7° |
| N21 | C24 | H241 | H242 | 117.1° | 120.3° |
| O23 | C22 | C24 | N25 | 179.3° | 180.0° |
| O23 | C22 | C24 | H241 | 63.3° | 47.5° |
| O23 | C22 | C24 | H242 | 61.6° | 72.8° |
| O23 | C22 | N25 | C27 | 0.1° | 4.3° |
| C22 | C24 | H241 | H242 | 117.1° | 120.3° |
| C24 | C22 | N25 | C27 | 179.4° | 175.7° |
| N25 | C22 | C24 | H241 | 116.1° | 132.5° |
| N25 | C22 | C24 | H242 | 119.0° | 107.1° |
| C22 | N25 | C27 | C35 | 76.1° | 84.2° |
| C22 | N25 | C27 | H271 | 39.2° | 35.8° |
| C22 | N25 | C27 | H272 | 163.9° | 155.8° |
| N25 | C27 | C35 | H271 | 115.3° | 120.0° |
| N25 | C27 | C35 | H272 | 120.0° | 120.0° |
| N25 | C27 | H271 | H272 | 117.2° | 120.0° |
| N25 | C27 | C35 | C36 | 169.6° | 174.5° |
| N25 | C27 | C35 | C39 | 27.5° | 66.1° |
| N25 | C27 | C35 | H35 | 78.8° | 54.3° |
| C35 | C27 | H271 | H272 | 117.2° | 120.0° |
| C27 | C35 | C36 | C32 | 126.9° | 175.4° |
| C27 | C35 | C39 | C34 | 125.5° | 175.4° |
| C27 | C35 | C36 | C39 | 141.9° | 119.9° |
| C27 | C35 | C36 | H35 | 111.9° | 120.2° |
| C27 | C35 | C39 | H35 | 110.0° | 120.3° |
| C27 | C35 | C36 | H361 | 10.5° | 64.6° |
| C27 | C35 | C36 | H362 | 113.1° | 55.5° |
| C27 | C35 | C39 | H391 | 118.0° | 55.4° |
| C27 | C35 | C39 | H392 | 5.5° | 64.7° |
| H271 | C27 | C35 | C36 | 75.1° | 54.5° |
| H271 | C27 | C35 | C39 | 142.8° | 173.9° |
| H271 | C27 | C35 | H35 | 36.5° | 65.7° |
| H272 | C27 | C35 | C36 | 49.6° | 65.6° |
| H272 | C27 | C35 | C39 | 92.5° | 53.9° |
| H272 | C27 | C35 | H35 | 161.2° | 174.3° |
| C31 | C28 | N37 | H28 | 180.0° | 179.8° |
| C28 | C31 | C30 | N29 | 179.9° | 179.9° |
| C28 | C31 | C30 | H31 | 180.0° | 179.9° |
| C28 | C31 | C30 | C33 | 0.1° | 0.3° |
| C31 | C28 | N37 | C38 | 0.2° | 0.1° |
| N37 | C28 | C31 | C30 | 0.2° | 0.1° |
| N37 | C28 | C31 | H31 | 179.8° | 180.0° |
| C28 | N37 | C38 | C33 | 0.1° | 0.2° |
| C28 | N37 | C38 | H38 | 179.9° | 179.9° |
| H28 | C28 | C31 | C30 | 179.8° | 180.0° |
| H28 | C28 | C31 | H31 | 0.2° | 0.1° |
| H28 | C28 | N37 | C38 | 179.9° | 180.0° |
| C30 | N29 | C32 | C34 | 179.3° | 114.1° |
| N29 | C30 | C31 | C33 | 179.8° | 179.7° |
| N29 | C30 | C31 | H31 | 0.1° | 0.0° |
| C30 | N29 | C32 | C36 | 127.7° | 179.7° |
| C30 | N29 | C32 | H321 | 115.0° | 59.7° |
| C30 | N29 | C32 | H322 | 7.7° | 60.2° |
| N29 | C30 | C33 | C38 | 179.8° | 179.7° |
| N29 | C30 | C33 | H33 | 0.2° | 0.4° |
| C30 | N29 | C34 | C39 | 127.7° | 179.8° |
| C30 | N29 | C34 | H341 | 10.4° | 59.7° |
| C30 | N29 | C34 | H342 | 112.3° | 60.2° |
| C32 | N29 | C30 | C31 | 179.8° | 180.0° |
| C32 | N29 | C30 | C33 | 0.0° | 0.4° |
| N29 | C32 | C36 | H321 | 117.3° | 120.0° |
| N29 | C32 | C36 | H322 | 120.0° | 120.1° |
| N29 | C32 | H321 | H322 | 118.3° | 119.9° |
| C32 | N29 | C34 | C39 | 51.6° | 65.6° |
| C32 | N29 | C34 | H341 | 168.9° | 54.4° |
| C32 | N29 | C34 | H342 | 68.4° | 174.3° |
| N29 | C32 | C36 | C35 | 33.0° | 61.3° |
| N29 | C32 | C36 | H361 | 149.3° | 178.7° |
| N29 | C32 | C36 | H362 | 87.0° | 58.6° |
| C34 | N29 | C30 | C31 | 0.5° | 65.5° |
| C34 | N29 | C30 | C33 | 179.2° | 114.2° |
| C34 | N29 | C32 | C36 | 51.6° | 65.6° |
| C34 | N29 | C32 | H321 | 65.7° | 54.4° |
| C34 | N29 | C32 | H322 | 171.6° | 174.3° |
| N29 | C34 | C39 | H341 | 117.3° | 120.1° |
| N29 | C34 | C39 | H342 | 120.0° | 120.1° |
| N29 | C34 | H341 | H342 | 118.3° | 119.9° |
| N29 | C34 | C39 | C35 | 32.9° | 61.4° |
| N29 | C34 | C39 | H391 | 83.6° | 58.6° |
| N29 | C34 | C39 | H392 | 152.9° | 178.8° |
| C31 | C30 | C33 | C38 | 0.0° | 0.6° |
| C31 | C30 | C33 | H33 | 180.0° | 180.0° |
| C33 | C30 | C31 | H31 | 179.9° | 179.7° |
| C30 | C33 | C38 | H33 | 180.0° | 179.3° |
| C30 | C33 | C38 | N37 | 0.0° | 0.6° |
| C30 | C33 | C38 | H38 | 180.0° | 179.7° |
| C36 | C32 | H321 | H322 | 118.3° | 119.8° |
| C32 | C36 | C35 | H361 | 116.4° | 120.0° |
| C32 | C36 | C35 | H362 | 120.0° | 119.9° |
| C32 | C36 | C35 | C39 | 15.0° | 55.5° |
| C32 | C36 | C35 | H35 | 121.2° | 64.4° |
| C32 | C36 | H361 | H362 | 117.9° | 120.1° |
| H321 | C32 | C36 | C35 | 84.3° | 58.7° |
| H321 | C32 | C36 | H361 | 32.1° | 61.2° |
| H321 | C32 | C36 | H362 | 155.7° | 178.6° |
| H322 | C32 | C36 | C35 | 153.0° | 178.5° |
| H322 | C32 | C36 | H361 | 90.6° | 58.6° |
| H322 | C32 | C36 | H362 | 33.0° | 61.6° |
| C33 | C38 | N37 | H38 | 180.0° | 179.7° |
| H33 | C33 | C38 | N37 | 180.0° | 180.0° |
| H33 | C33 | C38 | H38 | 0.0° | 0.4° |
| C39 | C34 | H341 | H342 | 118.3° | 119.8° |
| C34 | C39 | C35 | C36 | 15.0° | 55.6° |
| C34 | C39 | C35 | H391 | 116.5° | 120.0° |
| C34 | C39 | C35 | H392 | 120.0° | 119.9° |
| C34 | C39 | C35 | H35 | 124.6° | 64.3° |
| C34 | C39 | H391 | H392 | 117.9° | 120.1° |
| H341 | C34 | C39 | C35 | 150.3° | 58.7° |
| H341 | C34 | C39 | H391 | 33.7° | 178.7° |
| H341 | C34 | C39 | H392 | 89.7° | 61.2° |
| H342 | C34 | C39 | C35 | 87.1° | 178.5° |
| H342 | C34 | C39 | H391 | 156.4° | 61.5° |
| H342 | C34 | C39 | H392 | 32.9° | 58.7° |
| C36 | C35 | C39 | H35 | 109.6° | 119.8° |
| C35 | C36 | H361 | H362 | 117.8° | 120.1° |
| C36 | C35 | C39 | H391 | 101.5° | 64.4° |
| C36 | C35 | C39 | H392 | 135.0° | 175.5° |
| C39 | C35 | C36 | H361 | 131.4° | 175.5° |
| C39 | C35 | C36 | H362 | 105.0° | 64.3° |
| C35 | C39 | H391 | H392 | 117.9° | 120.1° |
| H35 | C35 | C36 | H361 | 122.4° | 55.6° |
| H35 | C35 | C36 | H362 | 1.2° | 175.7° |
| H35 | C35 | C39 | H391 | 8.1° | 175.8° |
| H35 | C35 | C39 | H392 | 115.4° | 55.6° |
