TZ0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C0N | O01 | sing | 1.43Å | 1.43Å | |
| O01 | C0E | sing | 1.36Å | 1.39Å | |
| C0E | C0C | doub | 1.39Å | 1.40Å | Aromatic |
| C0E | C0O | sing | 1.38Å | 1.37Å | Aromatic |
| C0C | C0D | sing | 1.39Å | 1.40Å | Aromatic |
| C0O | C0J | doub | 1.40Å | 1.38Å | Aromatic |
| C0U | O02 | sing | 1.43Å | 1.43Å | |
| C0D | O02 | sing | 1.36Å | 1.35Å | |
| C0D | C0R | doub | 1.38Å | 1.40Å | Aromatic |
| O03 | C0P | doub | 1.22Å | 1.25Å | |
| C0J | C0R | sing | 1.40Å | 1.40Å | Aromatic |
| C0J | C0S | sing | 1.43Å | 1.40Å | |
| C0T | N07 | sing | 1.47Å | 1.50Å | |
| C0T | C0Q | sing | 1.55Å | 1.49Å | |
| C0S | C0H | trip | 1.17Å | 1.12Å | |
| C0P | N07 | sing | 1.35Å | 1.37Å | |
| C0P | C0M | sing | 1.47Å | 1.49Å | |
| C0V | C0M | doub | 1.33Å | 1.33Å | |
| C0H | C0G | sing | 1.43Å | 1.35Å | |
| N07 | C0I | sing | 1.47Å | 1.49Å | |
| C0Q | C0K | sing | 1.55Å | 1.52Å | |
| N09 | C0G | doub | 1.32Å | 1.35Å | Aromatic |
| N09 | N04 | sing | 1.40Å | 1.38Å | Aromatic |
| C0G | C0A | sing | 1.47Å | 1.41Å | Aromatic |
| N04 | C0K | sing | 1.46Å | 1.48Å | |
| N04 | C0B | sing | 1.36Å | 1.37Å | Aromatic |
| C0K | C0I | sing | 1.54Å | 1.47Å | |
| C0A | C0B | doub | 1.41Å | 1.40Å | Aromatic |
| C0A | C0F | sing | 1.40Å | 1.42Å | Aromatic |
| N05 | C0F | sing | 1.38Å | 1.32Å | |
| C0B | N08 | sing | 1.33Å | 1.35Å | Aromatic |
| C0F | N06 | doub | 1.33Å | 1.34Å | Aromatic |
| N08 | C0L | doub | 1.31Å | 1.33Å | Aromatic |
| N06 | C0L | sing | 1.32Å | 1.35Å | Aromatic |
| C0N | H1 | sing | 1.09Å | 1.10Å | |
| C0N | H2 | sing | 1.09Å | 1.10Å | |
| C0N | H3 | sing | 1.09Å | 1.10Å | |
| C0O | H4 | sing | 1.08Å | 1.08Å | |
| C0C | H5 | sing | 1.08Å | 1.08Å | |
| C0U | H6 | sing | 1.09Å | 1.10Å | |
| C0U | H7 | sing | 1.09Å | 1.10Å | |
| C0U | H8 | sing | 1.09Å | 1.10Å | |
| C0R | H9 | sing | 1.08Å | 1.08Å | |
| N05 | H10 | sing | 0.97Å | 1.00Å | |
| N05 | H11 | sing | 0.97Å | 1.00Å | |
| C0L | H12 | sing | 1.08Å | 1.08Å | |
| C0K | H13 | sing | 1.09Å | 1.10Å | |
| C0I | H14 | sing | 1.09Å | 1.10Å | |
| C0I | H15 | sing | 1.09Å | 1.10Å | |
| C0Q | H16 | sing | 1.09Å | 1.10Å | |
| C0Q | H17 | sing | 1.09Å | 1.10Å | |
| C0T | H18 | sing | 1.09Å | 1.10Å | |
| C0T | H19 | sing | 1.09Å | 1.10Å | |
| C0M | H20 | sing | 1.08Å | 1.08Å | |
| C0V | H21 | sing | 1.08Å | 1.08Å | |
| C0V | H22 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C0N | O01 | C0E | 115.7° | 117.0° |
| O01 | C0N | H1 | 109.5° | 109.5° |
| O01 | C0N | H2 | 109.5° | 109.5° |
| O01 | C0N | H3 | 109.5° | 109.4° |
| O01 | C0E | C0C | 126.8° | 120.0° |
| O01 | C0E | C0O | 112.0° | 119.9° |
| C0C | C0E | C0O | 121.2° | 120.1° |
| C0E | C0C | C0D | 117.3° | 120.2° |
| C0E | C0C | H5 | 121.4° | 119.8° |
| C0E | C0O | C0J | 121.2° | 119.9° |
| C0E | C0O | H4 | 119.4° | 120.1° |
| C0C | C0D | O02 | 123.8° | 119.9° |
| C0C | C0D | C0R | 122.4° | 120.1° |
| C0D | C0C | H5 | 121.4° | 119.9° |
| C0O | C0J | C0R | 119.8° | 119.8° |
| C0O | C0J | C0S | 119.6° | 120.1° |
| C0J | C0O | H4 | 119.4° | 120.1° |
| C0U | O02 | C0D | 123.1° | 117.0° |
| O02 | C0U | H6 | 109.5° | 109.5° |
| O02 | C0U | H7 | 109.4° | 109.4° |
| O02 | C0U | H8 | 109.5° | 109.5° |
| O02 | C0D | C0R | 113.8° | 120.0° |
| C0D | C0R | C0J | 118.1° | 119.9° |
| C0D | C0R | H9 | 121.0° | 120.0° |
| O03 | C0P | N07 | 119.8° | 120.0° |
| O03 | C0P | C0M | 120.2° | 120.1° |
| C0R | C0J | C0S | 120.4° | 120.1° |
| C0J | C0R | H9 | 120.9° | 120.1° |
| C0J | C0S | C0H | 175.0° | 179.9° |
| N07 | C0T | C0Q | 100.9° | 104.9° |
| C0T | N07 | C0P | 123.0° | 125.7° |
| C0T | N07 | C0I | 113.5° | 108.7° |
| N07 | C0T | H18 | 111.6° | 110.4° |
| N07 | C0T | H19 | 111.5° | 110.3° |
| C0T | C0Q | C0K | 106.5° | 101.6° |
| C0T | C0Q | H16 | 110.2° | 111.0° |
| C0T | C0Q | H17 | 110.2° | 111.0° |
| C0Q | C0T | H18 | 111.5° | 110.4° |
| C0Q | C0T | H19 | 111.6° | 110.4° |
| C0S | C0H | C0G | 177.9° | 179.9° |
| N07 | C0P | C0M | 120.0° | 119.9° |
| C0P | N07 | C0I | 123.4° | 125.6° |
| C0P | C0M | C0V | 121.5° | 120.0° |
| C0P | C0M | H20 | 119.2° | 120.0° |
| C0V | C0M | H20 | 119.3° | 120.0° |
| C0M | C0V | H21 | 120.0° | 120.0° |
| C0M | C0V | H22 | 120.0° | 120.0° |
| C0H | C0G | N09 | 125.2° | 126.3° |
| C0H | C0G | C0A | 122.3° | 126.4° |
| N07 | C0I | C0K | 101.4° | 107.2° |
| N07 | C0I | H14 | 111.5° | 109.9° |
| N07 | C0I | H15 | 111.4° | 110.0° |
| C0Q | C0K | N04 | 115.1° | 110.7° |
| C0Q | C0K | C0I | 105.7° | 103.0° |
| C0Q | C0K | H13 | 108.3° | 110.9° |
| C0K | C0Q | H16 | 110.2° | 111.0° |
| C0K | C0Q | H17 | 110.2° | 111.0° |
| C0G | N09 | N04 | 104.7° | 109.9° |
| N09 | C0G | C0A | 112.4° | 107.2° |
| N09 | N04 | C0K | 124.5° | 125.3° |
| N09 | N04 | C0B | 111.0° | 109.5° |
| C0G | C0A | C0B | 104.1° | 106.5° |
| C0G | C0A | C0F | 141.5° | 134.9° |
| C0K | N04 | C0B | 124.5° | 125.2° |
| N04 | C0K | C0I | 109.8° | 110.7° |
| N04 | C0K | H13 | 108.8° | 110.7° |
| N04 | C0B | C0A | 107.8° | 106.9° |
| N04 | C0B | N08 | 124.6° | 134.4° |
| C0I | C0K | H13 | 108.9° | 110.7° |
| C0K | C0I | H14 | 111.4° | 109.9° |
| C0K | C0I | H15 | 111.4° | 109.9° |
| C0B | C0A | C0F | 114.4° | 118.6° |
| C0A | C0B | N08 | 127.6° | 118.6° |
| C0A | C0F | N05 | 121.8° | 120.8° |
| C0A | C0F | N06 | 120.4° | 118.3° |
| N05 | C0F | N06 | 117.9° | 120.8° |
| C0F | N05 | H10 | 109.5° | 120.0° |
| C0F | N05 | H11 | 109.4° | 120.0° |
| C0B | N08 | C0L | 110.4° | 120.7° |
| C0F | N06 | C0L | 116.9° | 121.1° |
| N08 | C0L | N06 | 130.4° | 122.7° |
| N08 | C0L | H12 | 114.8° | 118.7° |
| N06 | C0L | H12 | 114.8° | 118.6° |
| H1 | C0N | H2 | 109.5° | 109.5° |
| H1 | C0N | H3 | 109.5° | 109.5° |
| H2 | C0N | H3 | 109.5° | 109.5° |
| H6 | C0U | H7 | 109.5° | 109.5° |
| H6 | C0U | H8 | 109.5° | 109.5° |
| H7 | C0U | H8 | 109.5° | 109.5° |
| H10 | N05 | H11 | 109.5° | 120.0° |
| H14 | C0I | H15 | 109.5° | 109.9° |
| H16 | C0Q | H17 | 109.5° | 110.9° |
| H18 | C0T | H19 | 109.5° | 110.4° |
| H21 | C0V | H22 | 120.0° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C0N | O01 | C0E | C0C | 11.8° | 180.0° |
| C0N | O01 | C0E | C0O | 168.9° | 0.3° |
| O01 | C0N | H1 | H2 | 120.0° | 120.0° |
| O01 | C0N | H1 | H3 | 120.0° | 120.0° |
| O01 | C0N | H2 | H3 | 120.0° | 119.9° |
| O01 | C0E | C0C | C0O | 179.3° | 179.7° |
| O01 | C0E | C0C | C0D | 179.6° | 180.0° |
| O01 | C0E | C0O | C0J | 179.5° | 180.0° |
| C0E | O01 | C0N | H1 | 180.0° | 60.0° |
| C0E | O01 | C0N | H2 | 60.0° | 180.0° |
| C0E | O01 | C0N | H3 | 60.0° | 60.1° |
| O01 | C0E | C0O | H4 | 0.5° | 0.0° |
| O01 | C0E | C0C | H5 | 0.4° | 0.0° |
| C0E | C0C | C0D | H5 | 180.0° | 180.0° |
| C0C | C0E | C0O | C0J | 0.2° | 0.3° |
| C0E | C0C | C0D | O02 | 179.8° | 180.0° |
| C0E | C0C | C0D | C0R | 0.6° | 0.0° |
| C0C | C0E | C0O | H4 | 179.9° | 179.7° |
| C0O | C0E | C0C | C0D | 0.3° | 0.3° |
| C0E | C0O | C0J | H4 | 180.0° | 180.0° |
| C0E | C0O | C0J | C0R | 0.9° | 0.1° |
| C0E | C0O | C0J | C0S | 177.4° | 180.0° |
| C0O | C0E | C0C | H5 | 179.7° | 179.7° |
| C0C | C0D | O02 | C0U | 14.8° | 180.0° |
| C0C | C0D | O02 | C0R | 179.2° | 180.0° |
| C0C | C0D | C0R | C0J | 1.6° | 0.2° |
| C0C | C0D | C0R | H9 | 178.4° | 180.0° |
| C0O | C0J | C0R | C0D | 1.8° | 0.2° |
| C0O | C0J | C0R | C0S | 176.5° | 179.9° |
| C0O | C0J | C0S | C0H | 29.2° | 47.4° |
| C0O | C0J | C0R | H9 | 178.2° | 180.0° |
| C0U | O02 | C0D | C0R | 166.0° | 0.0° |
| O02 | C0U | H6 | H7 | 120.0° | 120.0° |
| O02 | C0U | H6 | H8 | 120.0° | 120.0° |
| O02 | C0U | H7 | H8 | 120.0° | 120.0° |
| O02 | C0D | C0R | C0J | 179.1° | 179.8° |
| O02 | C0D | C0C | H5 | 0.2° | 0.0° |
| C0D | O02 | C0U | H6 | 180.0° | 60.0° |
| C0D | O02 | C0U | H7 | 60.0° | 180.0° |
| C0D | O02 | C0U | H8 | 60.0° | 60.0° |
| O02 | C0D | C0R | H9 | 0.9° | 0.0° |
| C0D | C0R | C0J | H9 | 180.0° | 179.8° |
| C0D | C0R | C0J | C0S | 178.3° | 179.7° |
| C0R | C0D | C0C | H5 | 179.4° | 180.0° |
| O03 | C0P | N07 | C0T | 0.8° | 180.0° |
| O03 | C0P | N07 | C0M | 178.7° | 180.0° |
| O03 | C0P | C0M | C0V | 1.4° | 0.0° |
| O03 | C0P | N07 | C0I | 179.2° | 0.0° |
| O03 | C0P | C0M | H20 | 178.6° | 180.0° |
| C0R | C0J | C0S | C0H | 154.3° | 132.7° |
| C0R | C0J | C0O | H4 | 179.1° | 180.0° |
| C0J | C0S | C0H | C0G | 169.6° | 142.5° |
| C0S | C0J | C0O | H4 | 2.5° | 0.1° |
| C0S | C0J | C0R | H9 | 1.7° | 0.1° |
| N07 | C0T | C0Q | H18 | 118.6° | 118.9° |
| N07 | C0T | C0Q | H19 | 118.6° | 118.8° |
| C0T | N07 | C0P | C0I | 178.4° | 180.0° |
| C0T | N07 | C0P | C0M | 179.5° | 0.0° |
| N07 | C0T | C0Q | C0K | 24.8° | 37.0° |
| C0T | N07 | C0I | C0K | 15.1° | 1.1° |
| C0T | N07 | C0I | H14 | 103.6° | 120.4° |
| C0T | N07 | C0I | H15 | 133.8° | 118.5° |
| N07 | C0T | C0Q | H16 | 144.3° | 155.1° |
| N07 | C0T | C0Q | H17 | 94.7° | 81.0° |
| N07 | C0T | H18 | H19 | 124.0° | 122.2° |
| C0Q | C0T | N07 | C0P | 172.3° | 155.8° |
| C0Q | C0T | N07 | C0I | 6.2° | 24.1° |
| C0T | C0Q | C0K | H16 | 119.5° | 118.1° |
| C0T | C0Q | C0K | H17 | 119.5° | 118.0° |
| C0T | C0Q | C0K | N04 | 85.2° | 153.8° |
| C0T | C0Q | C0K | C0I | 36.2° | 35.5° |
| C0T | C0Q | C0K | H13 | 152.8° | 82.9° |
| C0T | C0Q | H16 | H17 | 121.4° | 123.9° |
| C0Q | C0T | H18 | H19 | 124.0° | 122.3° |
| C0S | C0H | C0G | N09 | 31.7° | 169.8° |
| C0S | C0H | C0G | C0A | 148.7° | 9.8° |
| N07 | C0P | C0M | C0V | 179.9° | 180.0° |
| C0P | N07 | C0I | C0K | 166.4° | 178.9° |
| C0P | N07 | C0I | H14 | 74.9° | 59.5° |
| C0P | N07 | C0I | H15 | 47.7° | 61.6° |
| C0P | N07 | C0T | H18 | 69.1° | 85.3° |
| C0P | N07 | C0T | H19 | 53.7° | 37.0° |
| N07 | C0P | C0M | H20 | 0.1° | 0.0° |
| C0P | C0M | C0V | H20 | 180.0° | 179.9° |
| C0M | C0P | N07 | C0I | 2.1° | 180.0° |
| C0P | C0M | C0V | H21 | 180.0° | 180.0° |
| C0P | C0M | C0V | H22 | 0.0° | 0.0° |
| C0M | C0V | H21 | H22 | 180.0° | 180.0° |
| C0H | C0G | N09 | C0A | 179.7° | 179.7° |
| C0H | C0G | N09 | N04 | 179.2° | 179.9° |
| C0H | C0G | C0A | C0B | 179.8° | 179.9° |
| C0H | C0G | C0A | C0F | 0.8° | 0.1° |
| N07 | C0I | C0K | C0Q | 30.0° | 22.2° |
| N07 | C0I | C0K | N04 | 94.8° | 140.6° |
| N07 | C0I | C0K | H14 | 118.7° | 119.4° |
| N07 | C0I | C0K | H15 | 118.7° | 119.6° |
| N07 | C0I | C0K | H13 | 146.2° | 96.4° |
| N07 | C0I | H14 | H15 | 123.8° | 121.2° |
| C0I | N07 | C0T | H18 | 112.4° | 94.8° |
| C0I | N07 | C0T | H19 | 124.8° | 143.0° |
| C0Q | C0K | N04 | N09 | 81.2° | 54.9° |
| C0Q | C0K | N04 | C0I | 119.1° | 113.5° |
| C0Q | C0K | N04 | H13 | 121.7° | 123.4° |
| C0Q | C0K | N04 | C0B | 100.8° | 125.2° |
| C0Q | C0K | C0I | H13 | 116.2° | 118.5° |
| C0Q | C0K | C0I | H14 | 88.8° | 97.2° |
| C0Q | C0K | C0I | H15 | 148.6° | 141.8° |
| C0K | C0Q | H16 | H17 | 121.4° | 123.9° |
| C0K | C0Q | C0T | H18 | 93.8° | 81.9° |
| C0K | C0Q | C0T | H19 | 143.4° | 155.8° |
| C0G | N09 | N04 | C0K | 179.1° | 179.9° |
| C0G | N09 | N04 | C0B | 0.8° | 0.1° |
| N09 | C0G | C0A | C0B | 0.1° | 0.2° |
| N09 | C0G | C0A | C0F | 179.6° | 179.8° |
| N04 | N09 | C0G | C0A | 0.4° | 0.2° |
| N09 | N04 | C0K | C0B | 178.0° | 179.9° |
| N09 | N04 | C0K | C0I | 37.9° | 58.6° |
| N09 | N04 | C0B | C0A | 0.9° | 0.0° |
| N09 | N04 | C0B | N08 | 179.2° | 179.9° |
| N09 | N04 | C0K | H13 | 157.0° | 178.3° |
| C0G | C0A | C0B | N04 | 0.6° | 0.1° |
| C0G | C0A | C0B | C0F | 179.6° | 180.0° |
| C0G | C0A | C0F | N05 | 0.8° | 0.0° |
| C0G | C0A | C0B | N08 | 179.6° | 180.0° |
| C0G | C0A | C0F | N06 | 179.7° | 180.0° |
| N04 | C0K | C0I | H13 | 119.0° | 123.1° |
| C0K | N04 | C0B | C0A | 179.2° | 179.9° |
| C0K | N04 | C0B | N08 | 1.0° | 0.0° |
| N04 | C0K | C0I | H14 | 146.5° | 21.2° |
| N04 | C0K | C0I | H15 | 23.9° | 99.9° |
| N04 | C0K | C0Q | H16 | 34.3° | 88.1° |
| N04 | C0K | C0Q | H17 | 155.2° | 35.8° |
| C0B | N04 | C0K | C0I | 140.1° | 121.3° |
| N04 | C0B | C0A | N08 | 179.8° | 179.9° |
| N04 | C0B | C0A | C0F | 179.8° | 179.9° |
| N04 | C0B | N08 | C0L | 179.1° | 179.9° |
| C0B | N04 | C0K | H13 | 21.0° | 1.8° |
| C0K | C0I | H14 | H15 | 123.7° | 121.1° |
| C0I | C0K | C0Q | H16 | 155.7° | 153.6° |
| C0I | C0K | C0Q | H17 | 83.4° | 82.6° |
| C0B | C0A | C0F | N05 | 179.7° | 180.0° |
| C0B | C0A | C0F | N06 | 0.9° | 0.0° |
| C0A | C0B | N08 | C0L | 0.7° | 0.0° |
| C0A | C0F | N05 | N06 | 178.8° | 180.0° |
| C0F | C0A | C0B | N08 | 0.1° | 0.0° |
| C0A | C0F | N06 | C0L | 1.1° | 0.0° |
| C0A | C0F | N05 | H10 | 178.8° | 0.1° |
| C0A | C0F | N05 | H11 | 61.2° | 180.0° |
| N05 | C0F | N06 | C0L | 180.0° | 180.0° |
| C0F | N05 | H10 | H11 | 120.0° | 179.9° |
| C0B | N08 | C0L | N06 | 0.6° | 0.0° |
| C0B | N08 | C0L | H12 | 179.4° | 179.9° |
| C0F | N06 | C0L | N08 | 0.4° | 0.1° |
| N06 | C0F | N05 | H10 | 0.0° | 180.0° |
| N06 | C0F | N05 | H11 | 120.0° | 0.0° |
| C0F | N06 | C0L | H12 | 179.7° | 180.0° |
| N08 | C0L | N06 | H12 | 180.0° | 179.9° |
| H1 | C0N | H2 | H3 | 120.0° | 120.1° |
| H6 | C0U | H7 | H8 | 120.0° | 120.1° |
| H13 | C0K | C0I | H14 | 27.5° | 144.3° |
| H13 | C0K | C0I | H15 | 95.1° | 23.2° |
| H13 | C0K | C0Q | H16 | 87.7° | 35.2° |
| H13 | C0K | C0Q | H17 | 33.2° | 159.0° |
| H16 | C0Q | C0T | H18 | 25.7° | 36.2° |
| H16 | C0Q | C0T | H19 | 97.1° | 86.1° |
| H17 | C0Q | C0T | H18 | 146.6° | 160.1° |
| H17 | C0Q | C0T | H19 | 23.9° | 37.8° |
| H20 | C0M | C0V | H21 | 0.0° | 0.1° |
| H20 | C0M | C0V | H22 | 179.9° | 180.0° |
