KEGG   COMPOUND: C11248
Entry
C11248                      Compound                               
Name
DU-6859;
Sitafloxacin
Formula
C19H18ClF2N3O3
Exact mass
409.1005
Mol weight
409.8143
Structure
Other DBs
CAS: 127254-12-0
PubChem: 13425
ChEBI: 4304
NIKKAJI: J482.678G
KCF data

ATOM        28
            1   C1z C    24.9585  -17.1429
            2   C1x C    24.2588  -15.9302
            3   C1x C    23.5592  -17.1429
            4   C8y C    30.6955  -16.9097
            5   N4y N    31.9549  -17.6094
            6   C8y C    29.5294  -17.6094
            7   C8y C    30.6955  -15.5104
            8   C1y C    31.9549  -19.0087
            9   C8x C    33.1209  -16.9097
            10  C8y C    28.3167  -16.9097
            11  X   Cl   29.5294  -19.0087
            12  C8y C    31.9082  -14.8108
            13  C8x C    29.5294  -14.8108
            14  C1y C    32.6545  -20.2213
            15  C1x C    31.2553  -20.2213
            16  C8y C    33.1209  -15.5104
            17  N1y N    27.1040  -17.7959
            18  C8y C    28.3167  -15.5104
            19  O5x O    31.9082  -13.4114
            20  C6a C    34.3337  -14.8108
            21  C1x C    26.2644  -16.6765
            22  C1x C    26.3111  -18.9620
            23  X   F    27.1040  -14.8108
            24  O6a O    35.5464  -15.5104
            25  O6a O    34.3337  -13.4114
            26  C1y C    24.9585  -18.5422
            27  X   F    33.8672  -20.9210
            28  N1a N    23.8390  -19.3351
BOND        32
            1     1   2 1
            2     1   3 1
            3     4   5 1
            4     4   6 1
            5     4   7 2
            6     5   8 1 #Up
            7     5   9 1
            8     6  10 2
            9     6  11 1
            10    7  12 1
            11    7  13 1
            12    8  14 1
            13    8  15 1
            14    9  16 2
            15   10  17 1
            16   10  18 1
            17   12  19 2
            18   16  20 1
            19   17  21 1
            20   17  22 1
            21   18  23 1
            22   20  24 1
            23   20  25 2
            24   21   1 1
            25   22  26 1
            26   12  16 1
            27   13  18 2
            28   14  15 1
            29    1  26 1
            30    3   2 1
            31   14  27 1 #Up
            32   26  28 1 #Up

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