@COMMENT
 LIGANDBOX_ID = KEGG_DURG-00002851-01
 SOURCE = KEGG_DRUG
 SUPPLIER = KEGG_DRUG
 IDNUMBER = D03217
 MOLECULAR_FORMULA = C23H26N7O3Cl
 MOLECULAR_WEIGHT = 483.960
 MOLECULAR_CHARGE = 0
 NUM_OF_DONOR = 3
 NUM_OF_ACCEPTOR = 7
 HOMO = -8.8678
 LUMO = -0.3404
 NUM_OF_CHIRAL_ATOMS = 1
 LOGS = -5.5459
 LOGP = 2.4603
 NOTE = 

@MOLECULE
KEGG_DURG-00002851-01
 60 63 0 0 0
SMALL
USER_CHARGES

@ATOM
     1 C1          23.4790   -15.8080    -0.0180 C.ar      1  UNK        -0.2658
     2 H1          22.5400   -15.2760    -0.0420 H         1  UNK         0.1398
     3 C2          23.4640   -17.1400    -0.0250 C.ar      1  UNK         0.0145
     4 H2          22.5260   -17.6960    -0.0550 H         1  UNK         0.1718
     5 N1          24.6130   -17.7580     0.0060 N.ar      1  UNK        -0.2199
     6 C3          25.7290   -17.0840     0.0420 C.ar      1  UNK         0.0584
     7 N2          25.7340   -15.7770     0.0500 N.ar      1  UNK        -0.2199
     8 C4          24.6130   -15.1090     0.0200 C.ar      1  UNK         0.0145
     9 H3          24.6060   -14.0190     0.0250 H         1  UNK         0.1718
    10 C5          27.0300   -17.8730     0.0890 C.3       1  UNK         0.0685
    11 H4          27.0450   -18.5630    -0.7550 H         1  UNK         0.1191
    12 H5          27.0470   -18.4500     1.0140 H         1  UNK         0.1191
    13 N3          28.2240   -17.0180     0.0300 N.am      1  UNK        -0.3789
    14 H6          28.0840   -16.0250    -0.0840 H         1  UNK         0.2435
    15 C6          29.5030   -17.4690     0.1230 C.2       1  UNK         0.3641
    16 C7          30.6320   -16.4900     0.0470 C.ar      1  UNK        -0.3551
    17 O1          29.7040   -18.7060     0.2680 O.2       1  UNK        -0.4267
    18 C8          31.9010   -16.9150     0.1730 C.ar      1  UNK         0.3014
    19 N4          32.8500   -16.0210     0.0970 N.ar      1  UNK        -0.3522
    20 C9          32.5790   -14.7570    -0.0570 C.ar      1  UNK         0.2998
    21 N5          31.3510   -14.3440    -0.1820 N.ar      1  UNK        -0.3127
    22 C10         30.3620   -15.1900    -0.1450 C.ar      1  UNK         0.0884
    23 H7          29.3450   -14.8160    -0.2600 H         1  UNK         0.1620
    24 N6          33.6090   -13.8300    -0.0630 N.pl3     1  UNK        -0.2924
    25 N7          32.2150   -18.2370     0.4240 N.pl3     1  UNK        -0.3474
    26 H8          31.4870   -18.8690     0.6840 H         1  UNK         0.2835
    27 C11         33.5550   -18.7960     0.2800 C.3       1  UNK         0.0394
    28 H9          33.9830   -18.4700    -0.6690 H         1  UNK         0.0997
    29 H10         33.4850   -19.8840     0.2760 H         1  UNK         0.0997
    30 C12         34.4720   -18.3770     1.4170 C.ar      1  UNK        -0.0796
    31 C13         33.4110   -12.3870    -0.1880 C.3       1  UNK         0.0006
    32 H11         32.9800   -12.1670    -1.1650 H         1  UNK         0.0907
    33 H12         32.7560   -12.0120     0.6000 H         1  UNK         0.0907
    34 C14         35.0360   -14.1530    -0.1150 C.3       1  UNK         0.0157
    35 H13         35.2150   -14.9790    -0.8040 H         1  UNK         0.1036
    36 C15         35.6910   -12.8690    -0.6510 C.3       1  UNK        -0.1711
    37 H14         36.7300   -12.7570    -0.3460 H         1  UNK         0.1011
    38 H15         35.6260   -12.8570    -1.7390 H         1  UNK         0.1011
    39 C16         34.8040   -11.7640    -0.0770 C.3       1  UNK        -0.1790
    40 H16         34.8840   -10.8370    -0.6430 H         1  UNK         0.0967
    41 H17         35.0520   -11.5880     0.9700 H         1  UNK         0.0967
    42 C17         35.7890   -18.3850     1.2380 C.ar      1  UNK        -0.1241
    43 H18         36.1990   -18.7070     0.2910 H         1  UNK         0.1402
    44 C18         36.6100   -17.9800     2.2060 C.ar      1  UNK        -0.0688
    45 C19         36.1280   -17.5500     3.3780 C.ar      1  UNK         0.0913
    46 C20         34.8030   -17.5670     3.5450 C.ar      1  UNK        -0.1497
    47 H19         34.3840   -17.2360     4.4840 H         1  UNK         0.1395
    48 C21         33.9790   -17.9780     2.5850 C.ar      1  UNK        -0.0956
    49 H20         32.9130   -17.9770     2.7620 H         1  UNK         0.1412
    50 O2          36.9410   -17.0880     4.3590 O.3       1  UNK        -0.2336
    51 C22         37.3490   -17.9710     5.4250 C.3       1  UNK        -0.0485
    52 H21         37.9040   -18.8110     5.0080 H         1  UNK         0.0777
    53 H22         36.4700   -18.3360     5.9560 H         1  UNK         0.0777
    54 H23         37.9890   -17.4200     6.1160 H         1  UNK         0.0777
    55 Cl1         38.3110   -17.9930     1.9070 Cl        1  UNK        -0.0233
    56 C23         35.5380   -14.5280     1.2930 C.3       1  UNK        -0.0266
    57 H24         34.9720   -15.3790     1.6680 H         1  UNK         0.0983
    58 H25         35.3990   -13.6940     1.9800 H         1  UNK         0.0983
    59 O3          36.9250   -14.8800     1.2510 O.3       1  UNK        -0.3286
    60 H26         37.0390   -15.6710     0.7170 H         1  UNK         0.2017

@BOND
     1     1     3  ar
     2     3     5  ar
     3     5     6  ar
     4     6     7  ar
     5     7     8  ar
     6     1     8  ar
     7     6    10   1
     8    10    13   1
     9    13    15  am
    10    15    16   1
    11    15    17   2
    12    16    18  ar
    13    18    19  ar
    14    19    20  ar
    15    20    21  ar
    16    21    22  ar
    17    16    22  ar
    18    20    24   1
    19    18    25   1
    20    25    27   1
    21    27    30   1
    22    24    31   1
    23    24    34   1
    24    34    36   1
    25    36    39   1
    26    31    39   1
    27    30    42  ar
    28    42    44  ar
    29    44    45  ar
    30    45    46  ar
    31    46    48  ar
    32    30    48  ar
    33    45    50   1
    34    50    51   1
    35    44    55   1
    36    34    56   1
    37    56    59   1
    38     1     2   1
    39     3     4   1
    40     8     9   1
    41    10    11   1
    42    10    12   1
    43    13    14   1
    44    22    23   1
    45    25    26   1
    46    27    28   1
    47    27    29   1
    48    31    32   1
    49    31    33   1
    50    34    35   1
    51    36    37   1
    52    36    38   1
    53    39    40   1
    54    39    41   1
    55    42    43   1
    56    46    47   1
    57    48    49   1
    58    51    52   1
    59    51    53   1
    60    51    54   1
    61    56    57   1
    62    56    58   1
    63    59    60   1