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Ciprofloxacin
Ciprofloxacin ID: B187317
CAS:86393-32-0
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:N1(c2c(C(=O)C(C1)C(=O)O)cc(c(c2)N1CCNCC1)F)C1CC1	
FORMULA: C17H20FN3O3
MASS: 333.3574
EXACT MASS: 333.1488697
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    1.4445     0.0000 
   C   3    0.8254     0.8375     0.0000 
   C   4    1.4487     1.4417     1.6637     0.0000 
   C   5    1.6667     0.8269     1.4388     0.8341     0.0000 
   C   6    1.4292     1.4388     0.8269     2.4906     2.1924     0.0000 
   C   7    0.8362     1.6673     1.4375     0.8375     1.4450     2.1933 
   C   8    2.1835     1.6487     1.4292     2.9842     2.4756     0.8275 
   C   9    0.8208     2.1953     1.4280     2.1980     2.4875     1.6502 
   C  10    2.1924     0.8212     1.4372     2.1926     1.4292     1.6583 
   C  11    2.2010     2.1933     2.4870     0.8233     1.4375     3.3139 
   C  12    2.4798     1.4250     1.6544     2.8667     2.1819     1.4352 
   N  13    2.8542     2.4720     2.1795     3.7885     3.2989     1.4250 
   C  14    1.5919     3.0114     2.2549     2.8091     3.2306     2.4018 
   C  15    1.5919     2.8082     1.9771     3.0145     3.2306     1.8468 
   O  16    2.4917     1.4301     2.1939     1.4342     0.8250     2.8688 
   N  17    4.3654     4.1299     3.7831     5.4250     4.9568     2.9750 
   O  18    2.8766     2.4843     2.9880     1.4280     1.6574     3.7955 
   F  19    3.3103     2.1843     2.4849     3.6107     2.8625     2.1919 
   O  20    2.4891     2.8667     2.9825     1.4250     2.1892     3.7912 
   C  21    3.5992     2.9785     2.8625     4.3808     3.7872     2.1851 
   C  22    2.9779     2.9850     2.4807     4.1444     3.7923     1.6538 
   C  23    3.7739     3.7829     3.2968     4.9605     4.5969     2.4699 
   C  24    4.2875     3.7833     3.5987     5.1660     4.5985     2.8583 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.8667     0.0000 
   C   9    1.4342     2.4777     0.0000 
   C  10    2.4885     1.4280     2.8652     0.0000 
   C  11    1.4388     3.7885     2.8730     2.8667     0.0000 
   C  12    2.9854     0.8250     2.9791     0.8233     3.6034     0.0000 
   N  13    3.6020     0.8233     2.9734     2.1802     4.5995     1.4280 
   C  14    1.9790     3.2211     0.8269     3.6921     3.3642     3.7808 
   C  15    2.2612     2.6156     0.8269     3.3576     3.6999     3.2803 
   O  16    2.1980     2.9763     3.3125     1.6523     1.6574     2.4756 
   N  17    5.1630     2.4812     4.2875     3.7864     6.2421     2.9821 
   O  18    2.1939     4.1330     3.6110     2.9842     0.8250     3.7885 
   F  19    3.7977     1.4321     3.7895     1.4333     4.3000     0.8305 
   O  20    1.6529     4.3711     2.9880     3.6024     0.8233     4.2917 
   C  21    4.3000     1.4333     3.7831     2.4812     5.1660     1.6579 
   C  22    3.7949     1.4393     2.8625     2.8673     4.9677     2.1927 
   C  23    4.5980     2.1865     3.5905     3.5992     5.7838     2.8631 
   C  24    5.0294     2.1867     4.3662     3.3045     5.9615     2.4812 

              N  13      C  14      C  15      O  16      N  17      O  18
              ------------------------------------------------------------------
   N  13    0.0000 
   C  14    3.6158     0.0000 
   C  15    2.8921     0.8250     0.0000 
   O  16    3.7806     4.0503     4.0503     0.0000 
   N  17    1.6579     4.7543     3.9407     5.4181     0.0000 
   O  18    4.9563     4.1575     4.4336     1.4375     6.6142     0.0000 
   F  19    1.6500     4.5788     4.0302     2.9802     2.8631     4.3792 
   O  20    5.1560     3.2882     3.7895     2.4807     6.7637     1.4280 
   C  21    0.8264     4.4406     3.7176     4.1336     1.4280     5.4250 
   C  22    0.8333     3.3525     2.5527     4.3780     1.4250     5.4280 
   C  23    1.4352     3.9908     3.1688     5.1572     0.8305     6.2384 
   C  24    1.4333     4.9464     4.1704     4.9568     0.8250     6.2421 

              F  19      O  20      C  21      C  22      C  23      C  24
              ------------------------------------------------------------------
   F  19    0.0000 
   O  20    5.0291     0.0000 
   C  21    1.4352     5.7859     0.0000 
   C  22    2.4833     5.4250     1.4280     0.0000 
   C  23    2.9802     6.2344     1.6500     0.8161     0.0000 
   C  24    2.1865     6.5577     0.8233     1.6466     1.4321     0.0000 




ATOMIC CHARGES
   N   1   -0.3079965216
   C   2    0.0509271116
   C   3    0.0519490117
   C   4    0.1843958558
   C   5    0.1864072903
   C   6    0.0314025154
   C   7    0.1097732310
   C   8    0.0769806153
   C   9    0.0729272341
   C  10    0.0350061152
   C  11    0.3733344157
   C  12    0.1534887317
   N  13   -0.3027783184
   C  14    0.0214222147
   C  15    0.0214222147
   O  16   -0.2906635751
   N  17   -0.2144423152
   O  18   -0.2451175468
   F  19   -0.2028650074
   O  20   -0.2451175468
   C  21    0.1096588938
   C  22    0.1096588938
   C  23    0.1101132432
   C  24    0.1101132432


BOND ANGLES
   3    1    7  Car  Npl   C3    119.791
   3    1    9  Car  Npl   C3    120.321
   7    1    9   C3  Npl   C3    119.889
   3    2   10  Car  Car  Car    120.102
   3    2    5  Car  Car   C2    119.635
   5    2   10   C2  Car  Car    120.262
   1    3    2  Npl  Car  Car    120.608
   2    3    6  Car  Car  Car    119.635
   1    3    6  Npl  Car  Car    119.756
   5    4    7   C2   C3   C3    119.638
   7    4   11   C3   C3  Cac    120.069
   5    4   11   C2   C3  Cac    120.293
   4    5   16   C3   C2   O2    119.638
   2    5    4  Car   C2   C3    120.439
   2    5   16  Car   C2   O2    119.923
   3    6    8  Car  Car  Car    119.511
   1    7    4  Npl   C3   C3    119.889
   6    8   12  Car  Car  Car    120.566
   6    8   13  Car  Car  Npl    119.365
  12    8   13  Car  Car  Npl    120.069
   1    9   14  Npl   C3   C3    150.077
   1    9   15  Npl   C3   C3    150.077
  14    9   15   C3   C3   C3     59.846
   2   10   12  Car  Car  Car    120.116
   4   11   18   C3  Cac O.co2    120.069
   4   11   20   C3  Cac O.co2    119.863
  18   11   20 O.co2  Cac O.co2    120.069
   8   12   19  Car  Car    F    119.782
   8   12   10  Car  Car  Car    120.069
  10   12   19  Car  Car    F    120.150
   8   13   21  Car  Npl   C3    120.649
   8   13   22  Car  Npl   C3    120.639
  21   13   22   C3  Npl   C3    118.712
   9   14   15   C3   C3   C3     60.077
   9   15   14   C3   C3   C3     60.077
  23   17   24   C3   N3   C3    119.782
  13   21   24  Npl   C3   C3    120.649
  13   22   23  Npl   C3   C3    120.931
  17   23   22   N3   C3   C3    119.858
  17   24   21   N3   C3   C3    120.069


TORSION ANGLES
  10    2    3    1    179.974
  10    2    3    6      0.026
   5    2    3    1      0.026
   5    2    3    6    179.974
   2    3    1    7      0.026
   2    3    1    9    179.974
   6    3    1    7    179.974
   6    3    1    9      0.026
   5    4    7    1      0.026
  11    4    7    1    179.974
  16    5    4    7    179.974
  16    5    4   11      0.026
   2    5    4    7      0.026
   2    5    4   11    179.974
   8    6    3    2      0.026
   8    6    3    1    179.974
   4    7    1    3      0.026
   4    7    1    9    179.974
  12    8    6    3      0.026
  13    8    6    3    179.974
  14    9    1    3    179.974
  14    9    1    7      0.026
  15    9    1    3      0.026
  15    9    1    7    179.974
  12   10    2    3      0.026
  12   10    2    5    179.974
  18   11    4    7    179.974
  18   11    4    5      0.026
  20   11    4    7      0.026
  20   11    4    5    179.974
  19   12    8    6    179.974
  19   12    8   13      0.026
  10   12    8    6      0.026
  10   12    8   13    179.974
  21   13    8    6    179.974
  21   13    8   12      0.026
  22   13    8    6      0.026
  22   13    8   12    179.974
  15   14    9    1    179.974
  15   14    9   15      0.026
  14   15    9    1    179.974
  14   15    9   14      0.026
  24   17   23   22      0.026
  24   21   13    8    179.974
  24   21   13   22      0.026
  23   22   13    8    179.974
  23   22   13   21      0.026
  17   23   22   13      0.026
  17   24   21   13      0.026
   9   14   15    9      0.026
   4    5    2    3      0.026
   4    5    2   10    179.974
  16    5    2    3    179.974
  16    5    2   10      0.026
   2   10   12    8      0.026
   2   10   12   19    179.974
  23   17   24   21      0.026


CHIRAL ATOMS
  23   17   24   21      0.026