@COMMENT
 LIGANDBOX_ID = KEGG_DURG-00002851-02
 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-00002851-02
 60 63 0 0 0
SMALL
USER_CHARGES

@ATOM
     1 C1          -0.5840    -9.8680     2.9170 C.ar      1  UNK        -0.2658
     2 H1           0.0770   -10.6920     3.1390 H         1  UNK         0.1398
     3 C2          -1.8950   -10.0290     3.0930 C.ar      1  UNK         0.0145
     4 H2          -2.3060   -10.9720     3.4540 H         1  UNK         0.1718
     5 N1          -2.6700    -9.0180     2.8150 N.ar      1  UNK        -0.2199
     6 C3          -2.1690    -7.8940     2.3820 C.ar      1  UNK         0.0584
     7 N2          -0.8810    -7.7470     2.2130 N.ar      1  UNK        -0.2199
     8 C4          -0.0600    -8.7250     2.4750 C.ar      1  UNK         0.0145
     9 H3           1.0160    -8.6110     2.3370 H         1  UNK         0.1718
    10 C5          -3.1350    -6.7600     2.0650 C.3       1  UNK         0.0685
    11 H4          -3.7660    -6.5910     2.9380 H         1  UNK         0.1191
    12 H5          -3.7660    -7.0720     1.2320 H         1  UNK         0.1191
    13 N3          -2.4440    -5.5090     1.7150 N.am      1  UNK        -0.3789
    14 H6          -1.4370    -5.5100     1.7720 H         1  UNK         0.2435
    15 C6          -3.0600    -4.3680     1.3150 C.2       1  UNK         0.3641
    16 C7          -2.2340    -3.1660     0.9850 C.ar      1  UNK        -0.3551
    17 O1          -4.3190    -4.3580     1.2360 O.2       1  UNK        -0.4267
    18 C8          -2.8310    -2.0300     0.5860 C.ar      1  UNK         0.3014
    19 N4          -2.0670    -1.0070     0.3110 N.ar      1  UNK        -0.3522
    20 C9          -0.7720    -1.0900     0.3970 C.ar      1  UNK         0.2998
    21 N5          -0.1910    -2.1860     0.7850 N.ar      1  UNK        -0.3127
    22 C10         -0.8990    -3.2350     1.0930 C.ar      1  UNK         0.0884
    23 H7          -0.3870    -4.1400     1.4190 H         1  UNK         0.1620
    24 N6           0.0040     0.0050     0.0610 N.pl3     1  UNK        -0.2924
    25 N7          -4.1990    -1.9230     0.4310 N.pl3     1  UNK        -0.3474
    26 H8          -4.7580    -2.7500     0.4860 H         1  UNK         0.2835
    27 C11         -4.9010    -0.6510     0.2870 C.3       1  UNK         0.0394
    28 H9          -4.5370     0.0500     1.0390 H         1  UNK         0.0997
    29 H10         -5.9670    -0.8140     0.4480 H         1  UNK         0.0997
    30 C12         -4.7080    -0.0530    -1.0960 C.ar      1  UNK        -0.0796
    31 C13          1.4620     0.0400     0.1710 C.3       1  UNK         0.0006
    32 H11          1.7500    -0.1560     1.2050 H         1  UNK         0.0907
    33 H12          1.9180    -0.7010    -0.4860 H         1  UNK         0.0907
    34 C14         -0.5180     1.3340    -0.2600 C.3       1  UNK         0.0157
    35 H13         -1.3880     1.5670     0.3550 H         1  UNK         0.1036
    36 C15          0.6400     2.2800     0.0950 C.3       1  UNK        -0.1711
    37 H14          0.6110     3.2160    -0.4620 H         1  UNK         0.1011
    38 H15          0.6160     2.4900     1.1640 H         1  UNK         0.1011
    39 C16          1.8830     1.4540    -0.2340 C.3       1  UNK        -0.1790
    40 H16          2.7570     1.7930     0.3220 H         1  UNK         0.0967
    41 H17          2.0850     1.4910    -1.3050 H         1  UNK         0.0967
    42 C17         -4.8350     1.2580    -1.2730 C.ar      1  UNK        -0.1241
    43 H18         -5.0860     1.8910    -0.4340 H         1  UNK         0.1402
    44 C18         -4.6460     1.8050    -2.4730 C.ar      1  UNK        -0.0688
    45 C19         -4.3210     1.0460    -3.5280 C.ar      1  UNK         0.0913
    46 C20         -4.2030    -0.2690    -3.3300 C.ar      1  UNK        -0.1497
    47 H19         -3.9390    -0.9040    -4.1630 H         1  UNK         0.1395
    48 C21         -4.3970    -0.8200    -2.1360 C.ar      1  UNK        -0.0956
    49 H20         -4.2910    -1.8890    -2.0180 H         1  UNK         0.1412
    50 O2          -4.1020     1.5810    -4.7550 O.3       1  UNK        -0.2336
    51 C22         -5.1400     1.5250    -5.7580 C.3       1  UNK        -0.0485
    52 H21         -6.0210     2.0570    -5.3980 H         1  UNK         0.0777
    53 H22         -5.3950     0.4860    -5.9680 H         1  UNK         0.0777
    54 H23         -4.7770     2.0010    -6.6700 H         1  UNK         0.0777
    55 Cl1         -4.8220     3.5140    -2.6370 Cl        1  UNK        -0.0233
    56 C23         -0.9060     1.3830    -1.7510 C.3       1  UNK        -0.0266
    57 H24         -1.6560     0.6200    -1.9590 H         1  UNK         0.0983
    58 H25         -0.0320     1.1830    -2.3700 H         1  UNK         0.0983
    59 O3          -1.4400     2.6710    -2.0880 O.3       1  UNK        -0.3286
    60 H26         -2.3220     2.7660    -1.7210 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