HLM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N17 | C16 | sing | 1.47Å | 1.43Å | |
| N17 | C13 | sing | 1.37Å | 1.44Å | |
| C16 | C15 | sing | 1.54Å | 1.49Å | |
| C15 | N14 | sing | 1.47Å | 1.44Å | |
| C13 | N12 | sing | 1.37Å | 1.41Å | |
| C13 | N14 | doub | 1.29Å | 1.44Å | |
| N12 | C11 | sing | 1.46Å | 1.46Å | |
| C11 | C10 | sing | 1.51Å | 1.50Å | |
| C09 | C10 | doub | 1.38Å | 1.51Å | Aromatic |
| C09 | C08 | sing | 1.38Å | 1.51Å | Aromatic |
| C10 | C18 | sing | 1.38Å | 1.48Å | Aromatic |
| C18 | C06 | doub | 1.40Å | 1.47Å | Aromatic |
| C08 | C07 | doub | 1.38Å | 1.52Å | Aromatic |
| C06 | C07 | sing | 1.40Å | 1.51Å | Aromatic |
| C06 | C04 | sing | 1.48Å | 1.49Å | |
| C04 | O05 | doub | 1.22Å | 1.18Å | |
| C04 | N03 | sing | 1.35Å | 1.42Å | |
| CL | C23 | sing | 1.74Å | 1.78Å | |
| N03 | C02 | sing | 1.46Å | 1.49Å | |
| C23 | C25 | doub | 1.38Å | 1.53Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.53Å | Aromatic |
| C25 | C19 | sing | 1.38Å | 1.53Å | Aromatic |
| C22 | C21 | doub | 1.38Å | 1.52Å | Aromatic |
| C19 | C02 | sing | 1.51Å | 1.53Å | |
| C19 | C20 | doub | 1.38Å | 1.53Å | Aromatic |
| C02 | C01 | sing | 1.53Å | 1.51Å | |
| C21 | C20 | sing | 1.38Å | 1.52Å | Aromatic |
| N12 | H121 | sing | 0.97Å | 1.00Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| N03 | H031 | 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) |
| C16 | N17 | C13 | 108.1° | 108.4° |
| N17 | C16 | C15 | 107.2° | 103.2° |
| N17 | C16 | H161 | 110.0° | 110.6° |
| N17 | C16 | H162 | 110.0° | 110.8° |
| C16 | N17 | H171 | 125.9° | 125.8° |
| N17 | C13 | N12 | 124.2° | 122.9° |
| N17 | C13 | N14 | 109.3° | 114.2° |
| C13 | N17 | H171 | 125.9° | 125.8° |
| C16 | C15 | N14 | 107.6° | 104.0° |
| C16 | C15 | H152 | 109.9° | 110.3° |
| C16 | C15 | H151 | 109.9° | 110.8° |
| C15 | C16 | H161 | 110.0° | 110.6° |
| C15 | C16 | H162 | 110.1° | 110.7° |
| C15 | N14 | C13 | 107.4° | 110.1° |
| N14 | C15 | H152 | 109.9° | 110.5° |
| N14 | C15 | H151 | 109.9° | 110.5° |
| N12 | C13 | N14 | 126.5° | 122.8° |
| C13 | N12 | C11 | 121.0° | 120.1° |
| C13 | N12 | H121 | 119.5° | 120.0° |
| N12 | C11 | C10 | 104.5° | 109.5° |
| C11 | N12 | H121 | 119.5° | 119.9° |
| N12 | C11 | H111 | 110.7° | 109.5° |
| N12 | C11 | H112 | 110.7° | 109.4° |
| C11 | C10 | C09 | 120.0° | 119.9° |
| C11 | C10 | C18 | 117.3° | 119.9° |
| C10 | C11 | H111 | 110.7° | 109.5° |
| C10 | C11 | H112 | 110.7° | 109.5° |
| C10 | C09 | C08 | 118.1° | 120.3° |
| C09 | C10 | C18 | 122.7° | 120.2° |
| C10 | C09 | H091 | 121.0° | 119.9° |
| C09 | C08 | C07 | 120.0° | 120.2° |
| C09 | C08 | H081 | 120.0° | 120.0° |
| C08 | C09 | H091 | 120.9° | 119.8° |
| C10 | C18 | C06 | 118.7° | 119.8° |
| C10 | C18 | H181 | 120.7° | 120.1° |
| C18 | C06 | C07 | 121.8° | 119.7° |
| C18 | C06 | C04 | 114.1° | 120.1° |
| C06 | C18 | H181 | 120.7° | 120.1° |
| C08 | C07 | C06 | 118.6° | 119.8° |
| C08 | C07 | H071 | 120.7° | 120.1° |
| C07 | C08 | H081 | 120.0° | 119.9° |
| C07 | C06 | C04 | 124.0° | 120.2° |
| C06 | C07 | H071 | 120.7° | 120.1° |
| C06 | C04 | O05 | 121.3° | 120.0° |
| C06 | C04 | N03 | 119.5° | 120.0° |
| O05 | C04 | N03 | 119.2° | 120.0° |
| C04 | N03 | C02 | 115.7° | 120.0° |
| C04 | N03 | H031 | 122.2° | 120.0° |
| CL | C23 | C25 | 120.2° | 120.0° |
| CL | C23 | C22 | 119.4° | 120.0° |
| N03 | C02 | C19 | 105.0° | 109.4° |
| N03 | C02 | C01 | 111.0° | 109.5° |
| N03 | C02 | H021 | 107.4° | 109.5° |
| C02 | N03 | H031 | 122.2° | 120.1° |
| C25 | C23 | C22 | 120.4° | 120.0° |
| C23 | C25 | C19 | 119.4° | 120.0° |
| C23 | C25 | H251 | 120.3° | 120.0° |
| C23 | C22 | C21 | 120.3° | 120.0° |
| C23 | C22 | H221 | 119.9° | 120.1° |
| C25 | C19 | C02 | 121.8° | 120.0° |
| C25 | C19 | C20 | 119.8° | 120.0° |
| C19 | C25 | H251 | 120.3° | 120.0° |
| C22 | C21 | C20 | 119.1° | 120.0° |
| C22 | C21 | H211 | 120.5° | 120.0° |
| C21 | C22 | H221 | 119.9° | 120.0° |
| C02 | C19 | C20 | 118.1° | 120.0° |
| C19 | C02 | C01 | 118.8° | 109.5° |
| C19 | C02 | H021 | 106.9° | 109.4° |
| C19 | C20 | C21 | 120.9° | 120.0° |
| C19 | C20 | H201 | 119.5° | 120.0° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C01 | C02 | H021 | 107.1° | 109.5° |
| C21 | C20 | H201 | 119.6° | 120.0° |
| C20 | C21 | H211 | 120.5° | 120.0° |
| H152 | C15 | H151 | 109.5° | 110.5° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H011 | C01 | H012 | 109.4° | 109.4° |
| H013 | C01 | H012 | 109.5° | 109.5° |
| H111 | C11 | H112 | 109.5° | 109.4° |
| H161 | C16 | H162 | 109.5° | 110.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | N17 | C13 | H171 | 180.0° | 179.9° |
| N17 | C16 | C15 | H161 | 119.6° | 118.4° |
| N17 | C16 | C15 | H162 | 119.7° | 118.6° |
| N17 | C16 | C15 | N14 | 5.2° | 0.0° |
| C16 | N17 | C13 | N12 | 178.4° | 180.0° |
| C16 | N17 | C13 | N14 | 0.4° | 0.3° |
| N17 | C16 | C15 | H152 | 124.9° | 118.6° |
| N17 | C16 | C15 | H151 | 114.6° | 118.8° |
| N17 | C16 | H161 | H162 | 121.0° | 123.2° |
| C13 | N17 | C16 | C15 | 2.9° | 0.1° |
| N17 | C13 | N14 | C15 | 3.7° | 0.3° |
| N17 | C13 | N12 | N14 | 177.6° | 179.7° |
| N17 | C13 | N12 | C11 | 169.2° | 179.8° |
| N17 | C13 | N12 | H121 | 10.8° | 0.3° |
| C13 | N17 | C16 | H161 | 116.8° | 118.2° |
| C13 | N17 | C16 | H162 | 122.5° | 118.7° |
| C16 | C15 | N14 | H152 | 119.7° | 118.4° |
| C16 | C15 | N14 | H151 | 119.7° | 118.9° |
| C16 | C15 | N14 | C13 | 5.4° | 0.2° |
| C16 | C15 | H152 | H151 | 120.8° | 122.8° |
| C15 | C16 | H161 | H162 | 121.1° | 123.0° |
| C15 | C16 | N17 | H171 | 177.1° | 180.0° |
| C15 | N14 | C13 | N12 | 178.4° | 180.0° |
| N14 | C15 | H152 | H151 | 120.9° | 122.7° |
| N14 | C15 | C16 | H161 | 114.5° | 118.4° |
| N14 | C15 | C16 | H162 | 124.8° | 118.6° |
| C13 | N12 | C11 | H121 | 180.0° | 179.9° |
| C13 | N12 | C11 | C10 | 119.5° | 180.0° |
| C13 | N12 | C11 | H111 | 0.3° | 59.9° |
| C13 | N12 | C11 | H112 | 121.3° | 60.0° |
| N12 | C13 | N17 | H171 | 1.6° | 0.2° |
| N14 | C13 | N12 | C11 | 13.2° | 0.1° |
| N14 | C13 | N12 | H121 | 166.8° | 180.0° |
| C13 | N14 | C15 | H152 | 125.1° | 118.6° |
| C13 | N14 | C15 | H151 | 114.3° | 118.7° |
| N14 | C13 | N17 | H171 | 179.5° | 179.9° |
| N12 | C11 | C10 | H111 | 119.2° | 120.1° |
| N12 | C11 | C10 | H112 | 119.2° | 119.9° |
| N12 | C11 | C10 | C09 | 88.8° | 90.3° |
| N12 | C11 | C10 | C18 | 92.4° | 90.0° |
| N12 | C11 | H111 | H112 | 122.3° | 119.9° |
| C11 | C10 | C09 | C18 | 178.6° | 179.7° |
| C11 | C10 | C09 | C08 | 179.3° | 179.7° |
| C11 | C10 | C18 | C06 | 178.5° | 179.7° |
| C10 | C11 | N12 | H121 | 60.5° | 0.0° |
| C11 | C10 | C09 | H091 | 0.7° | 0.2° |
| C10 | C11 | H111 | H112 | 122.3° | 120.1° |
| C11 | C10 | C18 | H181 | 1.5° | 0.3° |
| C10 | C09 | C08 | H091 | 180.0° | 179.9° |
| C09 | C10 | C18 | C06 | 2.8° | 0.0° |
| C10 | C09 | C08 | C07 | 2.5° | 0.0° |
| C10 | C09 | C08 | H081 | 177.5° | 180.0° |
| C09 | C10 | C11 | H111 | 152.0° | 29.8° |
| C09 | C10 | C11 | H112 | 30.4° | 149.7° |
| C09 | C10 | C18 | H181 | 177.2° | 179.9° |
| C08 | C09 | C10 | C18 | 0.6° | 0.0° |
| C09 | C08 | C07 | H081 | 180.0° | 180.0° |
| C09 | C08 | C07 | C06 | 3.4° | 0.1° |
| C09 | C08 | C07 | H071 | 176.6° | 179.9° |
| C10 | C18 | C06 | H181 | 180.0° | 179.9° |
| C10 | C18 | C06 | C07 | 1.8° | 0.1° |
| C10 | C18 | C06 | C04 | 175.1° | 180.0° |
| C18 | C10 | C09 | H091 | 179.3° | 179.9° |
| C18 | C10 | C11 | H111 | 26.8° | 150.0° |
| C18 | C10 | C11 | H112 | 148.4° | 30.0° |
| C18 | C06 | C07 | C08 | 1.2° | 0.1° |
| C18 | C06 | C07 | C04 | 176.6° | 179.9° |
| C18 | C06 | C04 | O05 | 23.1° | 0.1° |
| C18 | C06 | C04 | N03 | 158.5° | 180.0° |
| C18 | C06 | C07 | H071 | 178.8° | 180.0° |
| C08 | C07 | C06 | H071 | 180.0° | 179.9° |
| C08 | C07 | C06 | C04 | 177.9° | 180.0° |
| C07 | C08 | C09 | H091 | 177.5° | 179.9° |
| C07 | C06 | C04 | O05 | 160.0° | 180.0° |
| C07 | C06 | C04 | N03 | 18.4° | 0.1° |
| C06 | C07 | C08 | H081 | 176.6° | 179.9° |
| C07 | C06 | C18 | H181 | 178.2° | 180.0° |
| C06 | C04 | O05 | N03 | 178.4° | 179.9° |
| C06 | C04 | N03 | C02 | 160.8° | 180.0° |
| C04 | C06 | C07 | H071 | 2.1° | 0.1° |
| C04 | C06 | C18 | H181 | 4.9° | 0.1° |
| C06 | C04 | N03 | H031 | 19.2° | 0.1° |
| O05 | C04 | N03 | C02 | 17.6° | 0.1° |
| O05 | C04 | N03 | H031 | 162.4° | 180.0° |
| C04 | N03 | C02 | H031 | 180.0° | 179.9° |
| C04 | N03 | C02 | C19 | 84.7° | 155.0° |
| C04 | N03 | C02 | C01 | 145.6° | 85.0° |
| C04 | N03 | C02 | H021 | 28.9° | 35.1° |
| CL | C23 | C25 | C22 | 178.8° | 179.8° |
| CL | C23 | C25 | C19 | 178.4° | 180.0° |
| CL | C23 | C22 | C21 | 179.7° | 180.0° |
| CL | C23 | C22 | H221 | 0.3° | 0.0° |
| CL | C23 | C25 | H251 | 1.6° | 0.2° |
| N03 | C02 | C19 | C25 | 24.0° | 40.0° |
| N03 | C02 | C19 | C01 | 124.9° | 120.0° |
| N03 | C02 | C19 | H021 | 113.9° | 120.0° |
| N03 | C02 | C19 | C20 | 150.0° | 140.0° |
| N03 | C02 | C01 | H021 | 117.0° | 120.1° |
| N03 | C02 | C01 | H011 | 180.0° | 59.9° |
| N03 | C02 | C01 | H013 | 60.0° | 180.0° |
| N03 | C02 | C01 | H012 | 60.0° | 60.0° |
| C23 | C25 | C19 | H251 | 180.0° | 179.7° |
| C25 | C23 | C22 | C21 | 0.9° | 0.2° |
| C23 | C25 | C19 | C02 | 173.0° | 180.0° |
| C23 | C25 | C19 | C20 | 0.9° | 0.0° |
| C25 | C23 | C22 | H221 | 179.2° | 179.8° |
| C22 | C23 | C25 | C19 | 2.7° | 0.2° |
| C23 | C22 | C21 | H221 | 180.0° | 179.9° |
| C23 | C22 | C21 | C20 | 2.9° | 0.1° |
| C23 | C22 | C21 | H211 | 177.1° | 180.0° |
| C22 | C23 | C25 | H251 | 177.3° | 180.0° |
| C25 | C19 | C02 | C20 | 174.0° | 180.0° |
| C25 | C19 | C02 | C01 | 100.9° | 80.0° |
| C25 | C19 | C20 | C21 | 2.9° | 0.3° |
| C25 | C19 | C20 | H201 | 177.1° | 179.9° |
| C25 | C19 | C02 | H021 | 137.9° | 160.0° |
| C22 | C21 | C20 | C19 | 4.8° | 0.3° |
| C22 | C21 | C20 | H211 | 180.0° | 179.9° |
| C22 | C21 | C20 | H201 | 175.2° | 179.9° |
| C19 | C02 | C01 | H021 | 121.1° | 120.0° |
| C02 | C19 | C20 | C21 | 177.0° | 179.7° |
| C02 | C19 | C20 | H201 | 3.0° | 0.1° |
| C19 | C02 | C01 | H011 | 58.1° | 60.0° |
| C19 | C02 | C01 | H013 | 178.1° | 60.0° |
| C19 | C02 | C01 | H012 | 61.9° | 180.0° |
| C02 | C19 | C25 | H251 | 7.0° | 0.3° |
| C19 | C02 | N03 | H031 | 95.3° | 25.0° |
| C20 | C19 | C02 | C01 | 85.1° | 100.0° |
| C19 | C20 | C21 | H201 | 180.0° | 179.8° |
| C19 | C20 | C21 | H211 | 175.2° | 179.8° |
| C20 | C19 | C02 | H021 | 36.1° | 20.0° |
| C20 | C19 | C25 | H251 | 179.1° | 179.7° |
| C02 | C01 | H011 | H013 | 120.0° | 120.1° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C02 | C01 | H013 | H012 | 120.0° | 120.0° |
| C01 | C02 | N03 | H031 | 34.4° | 94.9° |
| C20 | C21 | C22 | H221 | 177.1° | 179.9° |
| H121 | N12 | C11 | H111 | 179.7° | 120.0° |
| H121 | N12 | C11 | H112 | 58.7° | 120.1° |
| H152 | C15 | C16 | H161 | 5.2° | 123.0° |
| H152 | C15 | C16 | H162 | 115.5° | 0.0° |
| H151 | C15 | C16 | H161 | 125.8° | 0.4° |
| H151 | C15 | C16 | H162 | 5.1° | 122.7° |
| H201 | C20 | C21 | H211 | 4.8° | 0.0° |
| H211 | C21 | C22 | H221 | 2.9° | 0.0° |
| H011 | C01 | H013 | H012 | 120.0° | 119.9° |
| H011 | C01 | C02 | H021 | 63.0° | 180.0° |
| H013 | C01 | C02 | H021 | 57.0° | 60.0° |
| H012 | C01 | C02 | H021 | 177.0° | 60.0° |
| H021 | C02 | N03 | H031 | 151.1° | 145.0° |
| H071 | C07 | C08 | H081 | 3.4° | 0.1° |
| H081 | C08 | C09 | H091 | 2.5° | 0.1° |
| H161 | C16 | N17 | H171 | 63.2° | 61.6° |
| H162 | C16 | N17 | H171 | 57.5° | 61.5° |
