UP9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | doub | 1.40Å | 1.43Å | Aromatic |
| C01 | C06 | sing | 1.41Å | 1.42Å | Aromatic |
| C01 | N17 | sing | 1.37Å | 1.41Å | Aromatic |
| C02 | C03 | sing | 1.40Å | 1.45Å | Aromatic |
| C02 | C19 | sing | 1.46Å | 1.43Å | Aromatic |
| C03 | C04 | doub | 1.39Å | 1.43Å | Aromatic |
| C03 | N07 | sing | 1.39Å | 1.42Å | |
| C04 | C05 | sing | 1.38Å | 1.43Å | Aromatic |
| C04 | F13 | sing | 1.35Å | 1.32Å | |
| C05 | C06 | doub | 1.40Å | 1.40Å | Aromatic |
| C06 | C14 | sing | 1.47Å | 1.47Å | |
| N07 | C08 | sing | 1.47Å | 1.50Å | |
| N07 | C12 | sing | 1.47Å | 1.52Å | |
| C08 | C09 | sing | 1.53Å | 1.55Å | |
| C09 | C10 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C11 | C12 | sing | 1.53Å | 1.57Å | |
| C11 | N33 | sing | 1.47Å | 1.50Å | |
| C14 | N15 | sing | 1.35Å | 1.39Å | |
| C14 | O16 | doub | 1.22Å | 1.25Å | |
| N17 | C18 | sing | 1.37Å | 1.39Å | Aromatic |
| C18 | C19 | doub | 1.35Å | 1.38Å | Aromatic |
| C18 | C20 | sing | 1.51Å | 1.49Å | |
| C19 | C23 | sing | 1.51Å | 1.47Å | |
| C20 | C21 | sing | 1.53Å | 1.55Å | |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| C21 | C24 | sing | 1.51Å | 1.59Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C24 | N25 | sing | 1.35Å | 1.45Å | |
| C24 | O26 | doub | 1.21Å | 1.22Å | |
| N25 | C27 | sing | 1.47Å | 1.54Å | |
| N25 | C31 | sing | 1.47Å | 1.48Å | |
| C27 | C28 | sing | 1.53Å | 1.61Å | |
| C28 | N29 | sing | 1.47Å | 1.58Å | |
| N29 | C30 | sing | 1.47Å | 1.50Å | |
| N29 | C32 | sing | 1.47Å | 1.53Å | |
| C30 | C31 | sing | 1.53Å | 1.54Å | |
| N33 | C34 | sing | 1.34Å | 1.46Å | |
| N33 | C37 | sing | 1.47Å | 1.51Å | |
| C34 | N35 | sing | 1.34Å | 1.43Å | |
| C34 | O38 | doub | 1.22Å | 1.23Å | |
| N35 | C36 | sing | 1.47Å | 1.50Å | |
| N35 | C39 | sing | 1.47Å | 1.48Å | |
| C36 | C37 | sing | 1.54Å | 1.58Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C32 | H323 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C39 | H393 | sing | 1.09Å | 1.10Å | |
| N15 | H152 | sing | 0.97Å | 1.00Å | |
| N15 | H151 | sing | 0.97Å | 1.00Å | |
| N17 | H171 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C01 | C06 | 125.4° | 119.4° |
| C02 | C01 | N17 | 108.3° | 107.3° |
| C01 | C02 | C03 | 120.3° | 119.9° |
| C01 | C02 | C19 | 104.7° | 105.9° |
| C06 | C01 | N17 | 126.3° | 133.3° |
| C01 | C06 | C05 | 114.8° | 119.8° |
| C01 | C06 | C14 | 126.2° | 120.1° |
| C01 | N17 | C18 | 109.0° | 110.0° |
| C01 | N17 | H171 | 125.5° | 124.9° |
| C03 | C02 | C19 | 135.1° | 134.2° |
| C02 | C03 | C04 | 112.7° | 119.9° |
| C02 | C03 | N07 | 126.9° | 120.1° |
| C02 | C19 | C18 | 110.3° | 107.3° |
| C02 | C19 | C23 | 130.8° | 128.0° |
| C04 | C03 | N07 | 120.4° | 120.0° |
| C03 | C04 | C05 | 126.3° | 120.5° |
| C03 | C04 | F13 | 120.8° | 119.8° |
| C03 | N07 | C08 | 121.9° | 111.0° |
| C03 | N07 | C12 | 121.6° | 111.0° |
| C05 | C04 | F13 | 112.8° | 119.8° |
| C04 | C05 | C06 | 120.6° | 120.5° |
| C04 | C05 | H051 | 119.7° | 119.8° |
| C05 | C06 | C14 | 119.0° | 120.1° |
| C06 | C05 | H051 | 119.7° | 119.7° |
| C06 | C14 | N15 | 125.7° | 120.0° |
| C06 | C14 | O16 | 117.1° | 120.0° |
| C08 | N07 | C12 | 106.7° | 111.2° |
| N07 | C08 | C09 | 115.0° | 109.6° |
| N07 | C08 | H081 | 108.1° | 109.5° |
| N07 | C08 | H082 | 108.1° | 109.5° |
| N07 | C12 | C11 | 118.6° | 109.5° |
| N07 | C12 | H121 | 107.2° | 109.5° |
| N07 | C12 | H122 | 107.1° | 109.4° |
| C08 | C09 | C10 | 113.4° | 109.2° |
| C09 | C08 | H081 | 108.1° | 109.4° |
| C09 | C08 | H082 | 108.1° | 109.5° |
| C08 | C09 | H092 | 108.5° | 109.5° |
| C08 | C09 | H091 | 108.5° | 109.5° |
| C09 | C10 | C11 | 110.7° | 109.1° |
| C09 | C10 | H102 | 109.2° | 109.5° |
| C09 | C10 | H101 | 109.1° | 109.6° |
| C10 | C09 | H092 | 108.5° | 109.6° |
| C10 | C09 | H091 | 108.5° | 109.5° |
| C10 | C11 | C12 | 104.7° | 109.3° |
| C10 | C11 | N33 | 114.6° | 109.5° |
| C10 | C11 | H111 | 106.8° | 109.5° |
| C11 | C10 | H102 | 109.1° | 109.5° |
| C11 | C10 | H101 | 109.1° | 109.5° |
| C12 | C11 | N33 | 116.5° | 109.5° |
| C12 | C11 | H111 | 106.4° | 109.5° |
| C11 | C12 | H121 | 107.1° | 109.5° |
| C11 | C12 | H122 | 107.1° | 109.4° |
| C11 | N33 | C34 | 126.5° | 125.4° |
| C11 | N33 | C37 | 124.1° | 125.4° |
| N33 | C11 | H111 | 107.2° | 109.5° |
| N15 | C14 | O16 | 117.2° | 120.0° |
| C14 | N15 | H152 | 120.0° | 120.0° |
| C14 | N15 | H151 | 120.0° | 120.0° |
| N17 | C18 | C19 | 107.7° | 109.5° |
| N17 | C18 | C20 | 125.7° | 126.9° |
| C18 | N17 | H171 | 125.4° | 125.1° |
| C19 | C18 | C20 | 126.6° | 123.7° |
| C18 | C19 | C23 | 118.9° | 124.7° |
| C18 | C20 | C21 | 114.7° | 108.5° |
| C18 | C20 | H202 | 108.1° | 109.6° |
| C18 | C20 | H201 | 108.1° | 109.6° |
| C19 | C23 | C22 | 115.7° | 108.5° |
| C19 | C23 | H231 | 107.9° | 109.6° |
| C19 | C23 | H232 | 107.9° | 109.7° |
| C20 | C21 | C22 | 108.7° | 109.5° |
| C20 | C21 | C24 | 113.3° | 109.5° |
| C21 | C20 | H202 | 108.1° | 109.6° |
| C21 | C20 | H201 | 108.1° | 109.7° |
| C20 | C21 | H211 | 108.6° | 109.5° |
| C22 | C21 | C24 | 109.2° | 109.4° |
| C21 | C22 | C23 | 116.0° | 109.3° |
| C22 | C21 | H211 | 108.7° | 109.5° |
| C21 | C22 | H222 | 107.8° | 109.5° |
| C21 | C22 | H221 | 107.8° | 109.5° |
| C21 | C24 | N25 | 125.2° | 120.0° |
| C21 | C24 | O26 | 121.0° | 120.0° |
| C24 | C21 | H211 | 108.2° | 109.5° |
| C23 | C22 | H222 | 107.8° | 109.5° |
| C23 | C22 | H221 | 107.8° | 109.6° |
| C22 | C23 | H231 | 107.9° | 109.6° |
| C22 | C23 | H232 | 107.9° | 109.7° |
| N25 | C24 | O26 | 113.8° | 120.0° |
| C24 | N25 | C27 | 123.2° | 120.9° |
| C24 | N25 | C31 | 122.3° | 120.9° |
| C27 | N25 | C31 | 114.5° | 118.2° |
| N25 | C27 | C28 | 118.6° | 108.5° |
| N25 | C27 | H271 | 107.2° | 109.6° |
| N25 | C27 | H272 | 107.1° | 109.8° |
| N25 | C31 | C30 | 113.8° | 108.5° |
| N25 | C31 | H312 | 108.4° | 109.6° |
| N25 | C31 | H311 | 108.4° | 109.8° |
| C27 | C28 | N29 | 116.1° | 109.4° |
| C28 | C27 | H271 | 107.2° | 109.7° |
| C28 | C27 | H272 | 107.2° | 109.7° |
| C27 | C28 | H281 | 107.8° | 109.5° |
| C27 | C28 | H282 | 107.8° | 109.5° |
| C28 | N29 | C30 | 108.5° | 111.3° |
| C28 | N29 | C32 | 114.2° | 111.0° |
| N29 | C28 | H281 | 107.8° | 109.5° |
| N29 | C28 | H282 | 107.8° | 109.5° |
| C30 | N29 | C32 | 110.7° | 111.0° |
| N29 | C30 | C31 | 110.7° | 109.4° |
| N29 | C30 | H301 | 109.2° | 109.5° |
| N29 | C30 | H302 | 109.2° | 109.5° |
| N29 | C32 | H321 | 109.5° | 109.5° |
| N29 | C32 | H322 | 109.4° | 109.5° |
| N29 | C32 | H323 | 109.5° | 109.4° |
| C31 | C30 | H301 | 109.2° | 109.5° |
| C31 | C30 | H302 | 109.2° | 109.5° |
| C30 | C31 | H312 | 108.4° | 109.7° |
| C30 | C31 | H311 | 108.4° | 109.6° |
| C34 | N33 | C37 | 109.5° | 109.2° |
| N33 | C34 | N35 | 109.3° | 113.8° |
| N33 | C34 | O38 | 127.0° | 123.0° |
| N33 | C37 | C36 | 105.5° | 103.8° |
| N33 | C37 | H371 | 110.5° | 110.6° |
| N33 | C37 | H372 | 110.5° | 110.7° |
| N35 | C34 | O38 | 123.7° | 123.1° |
| C34 | N35 | C36 | 111.7° | 109.2° |
| C34 | N35 | C39 | 125.7° | 125.4° |
| C36 | N35 | C39 | 122.5° | 125.4° |
| N35 | C36 | C37 | 104.0° | 103.9° |
| N35 | C36 | H362 | 110.8° | 110.9° |
| N35 | C36 | H361 | 110.8° | 110.4° |
| N35 | C39 | H391 | 109.5° | 109.5° |
| N35 | C39 | H392 | 109.4° | 109.5° |
| N35 | C39 | H393 | 109.4° | 109.5° |
| C37 | C36 | H362 | 110.8° | 110.5° |
| C37 | C36 | H361 | 110.8° | 110.5° |
| C36 | C37 | H371 | 110.5° | 110.6° |
| C36 | C37 | H372 | 110.5° | 110.6° |
| H102 | C10 | H101 | 109.5° | 109.6° |
| H121 | C12 | H122 | 109.5° | 109.5° |
| H081 | C08 | H082 | 109.4° | 109.4° |
| H092 | C09 | H091 | 109.5° | 109.6° |
| H202 | C20 | H201 | 109.5° | 109.8° |
| H222 | C22 | H221 | 109.4° | 109.5° |
| H231 | C23 | H232 | 109.5° | 109.8° |
| H271 | C27 | H272 | 109.5° | 109.6° |
| H281 | C28 | H282 | 109.5° | 109.5° |
| H301 | C30 | H302 | 109.5° | 109.5° |
| H312 | C31 | H311 | 109.5° | 109.6° |
| H321 | C32 | H322 | 109.5° | 109.5° |
| H321 | C32 | H323 | 109.5° | 109.5° |
| H322 | C32 | H323 | 109.5° | 109.4° |
| H362 | C36 | H361 | 109.5° | 110.5° |
| H371 | C37 | H372 | 109.5° | 110.4° |
| H391 | C39 | H392 | 109.5° | 109.5° |
| H391 | C39 | H393 | 109.5° | 109.5° |
| H392 | C39 | H393 | 109.5° | 109.5° |
| H152 | N15 | H151 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C01 | C06 | N17 | 179.6° | 179.7° |
| C01 | C02 | C03 | C19 | 179.9° | 179.9° |
| C01 | C02 | C03 | C04 | 0.7° | 0.0° |
| C01 | C02 | C03 | N07 | 178.8° | 179.9° |
| C02 | C01 | C06 | C05 | 0.3° | 0.0° |
| C02 | C01 | C06 | C14 | 179.6° | 180.0° |
| C02 | C01 | N17 | C18 | 0.6° | 0.3° |
| C01 | C02 | C19 | C18 | 0.3° | 0.1° |
| C01 | C02 | C19 | C23 | 180.0° | 179.9° |
| C02 | C01 | N17 | H171 | 179.4° | 180.0° |
| C06 | C01 | C02 | C03 | 0.1° | 0.0° |
| C06 | C01 | C02 | C19 | 179.8° | 179.9° |
| C01 | C06 | C05 | C04 | 0.1° | 0.0° |
| C01 | C06 | C05 | C14 | 179.3° | 180.0° |
| C01 | C06 | C14 | N15 | 172.0° | 180.0° |
| C01 | C06 | C14 | O16 | 6.0° | 0.3° |
| C06 | C01 | N17 | C18 | 179.7° | 179.9° |
| C01 | C06 | C05 | H051 | 179.9° | 180.0° |
| C06 | C01 | N17 | H171 | 0.3° | 0.3° |
| N17 | C01 | C02 | C03 | 179.6° | 179.8° |
| N17 | C01 | C02 | C19 | 0.5° | 0.1° |
| N17 | C01 | C06 | C05 | 180.0° | 179.7° |
| N17 | C01 | C06 | C14 | 0.8° | 0.3° |
| C01 | N17 | C18 | H171 | 180.0° | 179.7° |
| C01 | N17 | C18 | C19 | 0.4° | 0.4° |
| C01 | N17 | C18 | C20 | 180.0° | 179.9° |
| C02 | C03 | C04 | N07 | 178.2° | 179.9° |
| C02 | C03 | C04 | C05 | 1.0° | 0.0° |
| C02 | C03 | C04 | F13 | 179.7° | 180.0° |
| C02 | C03 | N07 | C08 | 110.5° | 67.9° |
| C02 | C03 | N07 | C12 | 108.3° | 167.8° |
| C03 | C02 | C19 | C18 | 179.9° | 180.0° |
| C03 | C02 | C19 | C23 | 0.1° | 0.0° |
| C19 | C02 | C03 | C04 | 179.2° | 179.9° |
| C19 | C02 | C03 | N07 | 1.1° | 0.2° |
| C02 | C19 | C18 | N17 | 0.1° | 0.3° |
| C02 | C19 | C18 | C23 | 179.8° | 180.0° |
| C02 | C19 | C18 | C20 | 179.7° | 180.0° |
| C02 | C19 | C23 | C22 | 167.6° | 163.5° |
| C02 | C19 | C23 | H231 | 46.7° | 43.9° |
| C02 | C19 | C23 | H232 | 71.5° | 76.8° |
| C03 | C04 | C05 | F13 | 179.3° | 180.0° |
| C03 | C04 | C05 | C06 | 0.6° | 0.0° |
| C04 | C03 | N07 | C08 | 71.6° | 112.0° |
| C04 | C03 | N07 | C12 | 69.7° | 12.2° |
| C03 | C04 | C05 | H051 | 179.4° | 180.0° |
| N07 | C03 | C04 | C05 | 179.2° | 179.9° |
| N07 | C03 | C04 | F13 | 1.5° | 0.1° |
| C03 | N07 | C08 | C12 | 146.2° | 124.1° |
| C03 | N07 | C08 | C09 | 166.0° | 174.1° |
| C03 | N07 | C12 | C11 | 158.1° | 174.1° |
| C03 | N07 | C12 | H121 | 36.7° | 65.8° |
| C03 | N07 | C12 | H122 | 80.7° | 54.1° |
| C03 | N07 | C08 | H081 | 73.2° | 54.1° |
| C03 | N07 | C08 | H082 | 45.2° | 65.8° |
| C04 | C05 | C06 | H051 | 180.0° | 179.9° |
| C04 | C05 | C06 | C14 | 179.4° | 180.0° |
| F13 | C04 | C05 | C06 | 179.9° | 180.0° |
| F13 | C04 | C05 | H051 | 0.0° | 0.0° |
| C05 | C06 | C14 | N15 | 7.3° | 0.0° |
| C05 | C06 | C14 | O16 | 174.8° | 179.7° |
| C06 | C14 | N15 | O16 | 178.0° | 179.7° |
| C14 | C06 | C05 | H051 | 0.6° | 0.1° |
| C06 | C14 | N15 | H152 | 178.0° | 179.7° |
| C06 | C14 | N15 | H151 | 2.0° | 0.3° |
| N07 | C08 | C09 | H081 | 120.8° | 120.0° |
| N07 | C08 | C09 | H082 | 120.8° | 120.1° |
| N07 | C08 | C09 | C10 | 51.8° | 59.2° |
| C08 | N07 | C12 | C11 | 55.6° | 61.8° |
| C08 | N07 | C12 | H121 | 177.0° | 58.3° |
| C08 | N07 | C12 | H122 | 65.6° | 178.3° |
| N07 | C08 | H081 | H082 | 117.5° | 120.0° |
| N07 | C08 | C09 | H092 | 172.3° | 60.7° |
| N07 | C08 | C09 | H091 | 68.8° | 179.1° |
| C12 | N07 | C08 | C09 | 47.8° | 61.8° |
| N07 | C12 | C11 | C10 | 60.3° | 59.2° |
| N07 | C12 | C11 | H121 | 121.3° | 120.1° |
| N07 | C12 | C11 | H122 | 121.3° | 120.0° |
| N07 | C12 | C11 | N33 | 67.3° | 60.8° |
| N07 | C12 | C11 | H111 | 173.2° | 179.2° |
| N07 | C12 | H121 | H122 | 115.9° | 120.0° |
| C12 | N07 | C08 | H081 | 73.0° | 178.3° |
| C12 | N07 | C08 | H082 | 168.7° | 58.3° |
| C08 | C09 | C10 | H092 | 120.6° | 119.9° |
| C08 | C09 | C10 | H091 | 120.6° | 119.9° |
| C08 | C09 | C10 | C11 | 55.6° | 57.7° |
| C08 | C09 | C10 | H102 | 64.6° | 177.6° |
| C08 | C09 | C10 | H101 | 175.8° | 62.3° |
| C09 | C08 | H081 | H082 | 117.5° | 119.9° |
| C08 | C09 | H092 | H091 | 118.2° | 120.1° |
| C09 | C10 | C11 | H102 | 120.2° | 119.8° |
| C09 | C10 | C11 | H101 | 120.2° | 120.0° |
| C09 | C10 | C11 | C12 | 55.8° | 57.7° |
| C09 | C10 | C11 | N33 | 73.0° | 62.3° |
| C09 | C10 | C11 | H111 | 168.5° | 177.6° |
| C09 | C10 | H102 | H101 | 119.4° | 120.2° |
| C10 | C09 | C08 | H081 | 69.1° | 179.2° |
| C10 | C09 | C08 | H082 | 172.6° | 60.9° |
| C10 | C09 | H092 | H091 | 118.2° | 120.1° |
| C10 | C11 | C12 | N33 | 127.7° | 120.0° |
| C10 | C11 | C12 | H111 | 112.9° | 120.0° |
| C10 | C11 | N33 | H111 | 118.3° | 120.1° |
| C10 | C11 | N33 | C34 | 152.3° | 64.5° |
| C10 | C11 | N33 | C37 | 27.3° | 115.4° |
| C11 | C10 | H102 | H101 | 119.4° | 120.2° |
| C10 | C11 | C12 | H121 | 178.3° | 60.8° |
| C10 | C11 | C12 | H122 | 61.0° | 179.2° |
| C11 | C10 | C09 | H092 | 176.2° | 62.2° |
| C11 | C10 | C09 | H091 | 65.0° | 177.6° |
| C12 | C11 | N33 | H111 | 119.0° | 120.1° |
| C12 | C11 | N33 | C34 | 29.7° | 175.7° |
| C12 | C11 | N33 | C37 | 149.9° | 4.4° |
| C12 | C11 | C10 | H102 | 64.4° | 177.5° |
| C12 | C11 | C10 | H101 | 176.0° | 62.3° |
| C11 | C12 | H121 | H122 | 115.8° | 120.0° |
| C11 | N33 | C34 | C37 | 179.6° | 179.9° |
| C11 | N33 | C34 | N35 | 179.4° | 180.0° |
| C11 | N33 | C34 | O38 | 0.2° | 0.3° |
| C11 | N33 | C37 | C36 | 179.3° | 179.7° |
| N33 | C11 | C10 | H102 | 166.8° | 57.6° |
| N33 | C11 | C10 | H101 | 47.2° | 177.8° |
| N33 | C11 | C12 | H121 | 54.0° | 179.2° |
| N33 | C11 | C12 | H122 | 171.4° | 59.2° |
| C11 | N33 | C37 | H371 | 61.3° | 61.7° |
| C11 | N33 | C37 | H372 | 59.9° | 61.1° |
| C14 | N15 | H152 | H151 | 180.0° | 180.0° |
| O16 | C14 | N15 | H152 | 0.0° | 0.0° |
| O16 | C14 | N15 | H151 | 180.0° | 180.0° |
| N17 | C18 | C19 | C20 | 179.6° | 179.7° |
| N17 | C18 | C19 | C23 | 179.7° | 179.7° |
| N17 | C18 | C20 | C21 | 165.9° | 163.5° |
| N17 | C18 | C20 | H202 | 45.2° | 43.8° |
| N17 | C18 | C20 | H201 | 73.3° | 76.8° |
| C19 | C18 | C20 | C21 | 13.6° | 16.9° |
| C18 | C19 | C23 | C22 | 12.6° | 16.4° |
| C19 | C18 | C20 | H202 | 134.3° | 136.5° |
| C19 | C18 | C20 | H201 | 107.2° | 102.9° |
| C18 | C19 | C23 | H231 | 133.5° | 136.1° |
| C18 | C19 | C23 | H232 | 108.3° | 103.3° |
| C19 | C18 | N17 | H171 | 179.6° | 180.0° |
| C20 | C18 | C19 | C23 | 0.1° | 0.1° |
| C18 | C20 | C21 | H202 | 120.7° | 119.7° |
| C18 | C20 | C21 | H201 | 120.7° | 119.7° |
| C18 | C20 | C21 | C22 | 37.1° | 50.2° |
| C18 | C20 | C21 | C24 | 158.7° | 170.2° |
| C18 | C20 | H202 | H201 | 117.6° | 120.5° |
| C18 | C20 | C21 | H211 | 81.0° | 69.8° |
| C20 | C18 | N17 | H171 | 0.0° | 0.2° |
| C19 | C23 | C22 | C21 | 40.1° | 49.6° |
| C19 | C23 | C22 | H231 | 120.9° | 119.7° |
| C19 | C23 | C22 | H232 | 120.9° | 119.7° |
| C19 | C23 | C22 | H222 | 161.1° | 169.5° |
| C19 | C23 | C22 | H221 | 80.9° | 70.4° |
| C19 | C23 | H231 | H232 | 117.2° | 120.5° |
| C20 | C21 | C22 | C24 | 124.1° | 120.0° |
| C20 | C21 | C22 | H211 | 118.0° | 120.0° |
| C20 | C21 | C24 | H211 | 120.5° | 120.0° |
| C20 | C21 | C22 | C23 | 51.3° | 70.0° |
| C20 | C21 | C24 | N25 | 97.3° | 84.2° |
| C20 | C21 | C24 | O26 | 82.8° | 95.8° |
| C21 | C20 | H202 | H201 | 117.6° | 120.5° |
| C20 | C21 | C22 | H222 | 172.3° | 170.1° |
| C20 | C21 | C22 | H221 | 69.7° | 50.0° |
| C22 | C21 | C24 | H211 | 118.2° | 120.0° |
| C21 | C22 | C23 | H222 | 121.0° | 119.9° |
| C21 | C22 | C23 | H221 | 121.0° | 120.0° |
| C22 | C21 | C24 | N25 | 141.4° | 155.8° |
| C22 | C21 | C24 | O26 | 38.5° | 24.2° |
| C22 | C21 | C20 | H202 | 157.9° | 169.9° |
| C22 | C21 | C20 | H201 | 83.6° | 69.5° |
| C21 | C22 | H222 | H221 | 117.0° | 120.1° |
| C21 | C22 | C23 | H231 | 161.0° | 169.2° |
| C21 | C22 | C23 | H232 | 80.8° | 70.2° |
| C24 | C21 | C22 | C23 | 175.3° | 170.0° |
| C21 | C24 | N25 | O26 | 179.9° | 180.0° |
| C21 | C24 | N25 | C27 | 0.6° | 174.9° |
| C21 | C24 | N25 | C31 | 178.3° | 5.1° |
| C24 | C21 | C20 | H202 | 80.5° | 70.1° |
| C24 | C21 | C20 | H201 | 38.0° | 50.5° |
| C24 | C21 | C22 | H222 | 63.7° | 50.1° |
| C24 | C21 | C22 | H221 | 54.4° | 70.0° |
| C23 | C22 | C21 | H211 | 66.8° | 50.0° |
| C23 | C22 | H222 | H221 | 117.0° | 120.2° |
| C22 | C23 | H231 | H232 | 117.2° | 120.5° |
| C24 | N25 | C27 | C31 | 177.8° | 180.0° |
| C24 | N25 | C27 | C28 | 161.6° | 128.8° |
| C24 | N25 | C31 | C30 | 139.0° | 128.9° |
| N25 | C24 | C21 | H211 | 23.2° | 35.8° |
| C24 | N25 | C27 | H271 | 77.1° | 111.4° |
| C24 | N25 | C27 | H272 | 40.3° | 9.0° |
| C24 | N25 | C31 | H312 | 18.4° | 9.1° |
| C24 | N25 | C31 | H311 | 100.3° | 111.3° |
| O26 | C24 | N25 | C27 | 179.3° | 5.0° |
| O26 | C24 | N25 | C31 | 1.6° | 174.9° |
| O26 | C24 | C21 | H211 | 156.8° | 144.2° |
| N25 | C27 | C28 | H271 | 121.3° | 119.7° |
| N25 | C27 | C28 | H272 | 121.3° | 119.9° |
| N25 | C27 | C28 | N29 | 19.2° | 53.9° |
| C27 | N25 | C31 | C30 | 43.1° | 51.2° |
| N25 | C27 | H271 | H272 | 115.9° | 120.5° |
| N25 | C27 | C28 | H281 | 140.1° | 66.2° |
| N25 | C27 | C28 | H282 | 101.8° | 173.8° |
| C27 | N25 | C31 | H312 | 163.7° | 170.9° |
| C27 | N25 | C31 | H311 | 77.5° | 68.6° |
| C31 | N25 | C27 | C28 | 20.6° | 51.2° |
| N25 | C31 | C30 | N29 | 67.1° | 53.8° |
| N25 | C31 | C30 | H312 | 120.6° | 119.7° |
| N25 | C31 | C30 | H311 | 120.6° | 119.9° |
| C31 | N25 | C27 | H271 | 100.7° | 68.6° |
| C31 | N25 | C27 | H272 | 141.9° | 171.0° |
| N25 | C31 | C30 | H301 | 172.7° | 173.8° |
| N25 | C31 | C30 | H302 | 53.0° | 66.1° |
| N25 | C31 | H312 | H311 | 118.1° | 120.6° |
| C27 | C28 | N29 | H281 | 121.0° | 120.0° |
| C27 | C28 | N29 | H282 | 120.9° | 119.9° |
| C27 | C28 | N29 | C30 | 39.0° | 63.1° |
| C27 | C28 | N29 | C32 | 85.0° | 172.7° |
| C28 | C27 | H271 | H272 | 115.9° | 120.4° |
| C27 | C28 | H281 | H282 | 117.0° | 120.0° |
| C28 | N29 | C30 | C32 | 126.0° | 124.2° |
| C28 | N29 | C30 | C31 | 61.7° | 63.1° |
| N29 | C28 | C27 | H271 | 102.1° | 65.9° |
| N29 | C28 | C27 | H272 | 140.5° | 173.8° |
| N29 | C28 | H281 | H282 | 117.0° | 120.1° |
| C28 | N29 | C30 | H301 | 178.1° | 176.9° |
| C28 | N29 | C30 | H302 | 58.5° | 56.9° |
| C28 | N29 | C32 | H321 | 180.0° | 60.0° |
| C28 | N29 | C32 | H322 | 60.0° | 179.9° |
| C28 | N29 | C32 | H323 | 60.0° | 60.0° |
| N29 | C30 | C31 | H301 | 120.2° | 120.0° |
| N29 | C30 | C31 | H302 | 120.2° | 119.9° |
| C30 | N29 | C28 | H281 | 160.0° | 56.9° |
| C30 | N29 | C28 | H282 | 81.9° | 177.0° |
| N29 | C30 | H301 | H302 | 119.5° | 120.0° |
| N29 | C30 | C31 | H312 | 172.2° | 173.5° |
| N29 | C30 | C31 | H311 | 53.5° | 66.1° |
| C30 | N29 | C32 | H321 | 57.3° | 175.7° |
| C30 | N29 | C32 | H322 | 62.7° | 55.6° |
| C30 | N29 | C32 | H323 | 177.3° | 64.3° |
| C32 | N29 | C30 | C31 | 64.3° | 172.7° |
| C32 | N29 | C28 | H281 | 36.0° | 67.3° |
| C32 | N29 | C28 | H282 | 154.1° | 52.8° |
| C32 | N29 | C30 | H301 | 55.8° | 52.7° |
| C32 | N29 | C30 | H302 | 175.5° | 67.4° |
| N29 | C32 | H321 | H322 | 120.0° | 120.1° |
| N29 | C32 | H321 | H323 | 120.0° | 120.0° |
| N29 | C32 | H322 | H323 | 120.0° | 119.9° |
| C31 | C30 | H301 | H302 | 119.4° | 120.0° |
| C30 | C31 | H312 | H311 | 118.0° | 120.4° |
| N33 | C34 | N35 | O38 | 179.6° | 179.7° |
| N33 | C34 | N35 | C36 | 0.0° | 0.3° |
| N33 | C34 | N35 | C39 | 179.9° | 179.7° |
| C34 | N33 | C37 | C36 | 0.3° | 0.2° |
| C34 | N33 | C11 | H111 | 89.4° | 55.6° |
| C34 | N33 | C37 | H371 | 119.1° | 118.4° |
| C34 | N33 | C37 | H372 | 119.7° | 118.9° |
| C37 | N33 | C34 | N35 | 0.2° | 0.1° |
| C37 | N33 | C34 | O38 | 179.8° | 179.8° |
| N33 | C37 | C36 | N35 | 0.4° | 0.4° |
| N33 | C37 | C36 | H371 | 119.4° | 118.6° |
| N33 | C37 | C36 | H372 | 119.4° | 118.8° |
| C37 | N33 | C11 | H111 | 91.1° | 124.5° |
| N33 | C37 | C36 | H362 | 118.8° | 118.7° |
| N33 | C37 | C36 | H361 | 119.5° | 118.7° |
| N33 | C37 | H371 | H372 | 121.8° | 122.9° |
| C34 | N35 | C36 | C39 | 180.0° | 179.9° |
| C34 | N35 | C36 | C37 | 0.3° | 0.4° |
| C34 | N35 | C36 | H362 | 118.8° | 118.3° |
| C34 | N35 | C36 | H361 | 119.4° | 118.9° |
| C34 | N35 | C39 | H391 | 180.0° | 5.0° |
| C34 | N35 | C39 | H392 | 60.0° | 125.0° |
| C34 | N35 | C39 | H393 | 60.0° | 115.0° |
| O38 | C34 | N35 | C36 | 179.5° | 180.0° |
| O38 | C34 | N35 | C39 | 0.5° | 0.1° |
| N35 | C36 | C37 | H362 | 119.1° | 119.0° |
| N35 | C36 | C37 | H361 | 119.1° | 118.4° |
| N35 | C36 | H362 | H361 | 122.5° | 122.7° |
| N35 | C36 | C37 | H371 | 119.0° | 118.2° |
| N35 | C36 | C37 | H372 | 119.7° | 119.2° |
| C36 | N35 | C39 | H391 | 0.1° | 175.0° |
| C36 | N35 | C39 | H392 | 120.0° | 54.9° |
| C36 | N35 | C39 | H393 | 120.0° | 65.1° |
| C39 | N35 | C36 | C37 | 179.7° | 179.6° |
| C39 | N35 | C36 | H362 | 61.2° | 61.6° |
| C39 | N35 | C36 | H361 | 60.6° | 61.2° |
| N35 | C39 | H391 | H392 | 120.0° | 120.0° |
| N35 | C39 | H391 | H393 | 120.0° | 120.0° |
| N35 | C39 | H392 | H393 | 120.0° | 120.0° |
| C37 | C36 | H362 | H361 | 122.5° | 122.6° |
| C36 | C37 | H371 | H372 | 121.8° | 122.7° |
| H111 | C11 | C10 | H102 | 48.2° | 62.5° |
| H111 | C11 | C10 | H101 | 71.4° | 57.7° |
| H111 | C11 | C12 | H121 | 65.4° | 59.1° |
| H111 | C11 | C12 | H122 | 52.0° | 60.9° |
| H102 | C10 | C09 | H092 | 56.0° | 57.6° |
| H102 | C10 | C09 | H091 | 174.8° | 62.6° |
| H101 | C10 | C09 | H092 | 63.7° | 177.8° |
| H101 | C10 | C09 | H091 | 55.2° | 57.6° |
| H081 | C08 | C09 | H092 | 51.5° | 59.3° |
| H081 | C08 | C09 | H091 | 170.3° | 60.9° |
| H082 | C08 | C09 | H092 | 66.9° | 179.2° |
| H082 | C08 | C09 | H091 | 52.0° | 59.0° |
| H202 | C20 | C21 | H211 | 39.7° | 49.9° |
| H201 | C20 | C21 | H211 | 158.2° | 170.5° |
| H211 | C21 | C22 | H222 | 54.2° | 69.9° |
| H211 | C21 | C22 | H221 | 172.3° | 170.0° |
| H222 | C22 | C23 | H231 | 78.0° | 70.9° |
| H222 | C22 | C23 | H232 | 40.2° | 49.7° |
| H221 | C22 | C23 | H231 | 40.0° | 49.3° |
| H221 | C22 | C23 | H232 | 158.2° | 169.9° |
| H271 | C27 | C28 | H281 | 18.8° | 174.1° |
| H271 | C27 | C28 | H282 | 136.9° | 54.1° |
| H272 | C27 | C28 | H281 | 98.6° | 53.7° |
| H272 | C27 | C28 | H282 | 19.5° | 66.3° |
| H301 | C30 | C31 | H312 | 52.0° | 66.5° |
| H301 | C30 | C31 | H311 | 66.7° | 53.9° |
| H302 | C30 | C31 | H312 | 67.6° | 53.5° |
| H302 | C30 | C31 | H311 | 173.7° | 174.0° |
| H321 | C32 | H322 | H323 | 120.0° | 120.0° |
| H362 | C36 | C37 | H371 | 121.8° | 122.8° |
| H362 | C36 | C37 | H372 | 0.6° | 0.1° |
| H361 | C36 | C37 | H371 | 0.1° | 0.2° |
| H361 | C36 | C37 | H372 | 121.1° | 122.5° |
| H391 | C39 | H392 | H393 | 120.0° | 120.0° |
