REMARK  Name = BDB063602
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.837  -1.978   1.810  0.00  0.00    +0.153 C 
ENDROOT
BRANCH   1   8
ATOM      2  C   LIG    1       -4.667  -1.567  -1.413  0.00  0.00    +0.047 C 
ATOM      3  C   LIG    1       -3.740  -0.899  -0.438  0.00  0.00    -0.008 A 
ATOM      4  C   LIG    1       -3.803   0.476  -0.156  0.00  0.00    +0.128 A 
ATOM      5  C   LIG    1       -2.838   1.077   0.668  0.00  0.00    -0.008 A 
ATOM      6  C   LIG    1       -2.786   2.559   0.905  0.00  0.00    +0.047 C 
ATOM      7  C   LIG    1       -1.897   0.265   1.321  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1       -1.875  -1.121   1.124  0.00  0.00    -0.029 A 
ATOM      9  C   LIG    1       -2.789  -1.689   0.228  0.00  0.00    +0.012 A 
BRANCH   4  10
ATOM     10  O   LIG    1       -4.747   1.258  -0.769  0.00  0.00    -0.475 OA
BRANCH  10  11
ATOM     11  C   LIG    1       -6.010   1.354  -0.085  0.00  0.00    +0.200 C 
ATOM     12  C   LIG    1       -7.091   0.984  -1.120  0.00  0.00    +0.067 C 
ATOM     13  C   LIG    1       -6.233   2.841   0.252  0.00  0.00    +0.067 C 
BRANCH  11  14
ATOM     14  C   LIG    1       -6.267   0.501   1.187  0.00  0.00    +0.348 C 
ATOM     15  O   LIG    1       -6.857  -0.569   1.243  0.00  0.00    -0.247 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -5.752   1.030   2.319  0.00  0.00    -0.478 OA
ATOM     17  H   LIG    1       -5.927   0.345   2.997  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH  10  11
ENDBRANCH   4  10
ENDBRANCH   1   8
BRANCH   1  18
ATOM     18  N   LIG    1        0.384  -2.049   1.041  0.00  0.00    -0.220 N 
ATOM     19  C   LIG    1        1.434  -1.180   1.180  0.00  0.00    +0.316 C 
ATOM     20  O   LIG    1        1.466  -0.275   2.002  0.00  0.00    -0.252 OA
ATOM     21  N   LIG    1        2.417  -1.535   0.242  0.00  0.00    -0.246 N 
ATOM     22  C   LIG    1        1.983  -2.672  -0.537  0.00  0.00    +0.211 C 
ATOM     23  C   LIG    1        0.626  -2.959   0.062  0.00  0.00    +0.241 C 
ATOM     24  O   LIG    1       -0.109  -3.872  -0.291  0.00  0.00    -0.273 OA
BRANCH  21  25
ATOM     25  C   LIG    1        3.674  -0.907   0.029  0.00  0.00    +0.038 A 
ATOM     26  C   LIG    1        4.550  -1.384  -0.959  0.00  0.00    +0.024 A 
ATOM     27  C   LIG    1        5.794  -0.781  -1.187  0.00  0.00    +0.006 A 
ATOM     28  C   LIG    1        6.205   0.322  -0.432  0.00  0.00    -0.045 A 
ATOM     29  C   LIG    1        5.337   0.803   0.553  0.00  0.00    +0.006 A 
ATOM     30  C   LIG    1        4.092   0.197   0.778  0.00  0.00    +0.024 A 
BRANCH  28  31
ATOM     31  C   LIG    1        7.545   0.996  -0.657  0.00  0.00    +0.013 C 
ATOM     32  C   LIG    1        8.709   0.040  -0.382  0.00  0.00    +0.012 C 
ATOM     33  C   LIG    1        7.648   1.588  -2.065  0.00  0.00    +0.012 C 
ENDBRANCH  28  31
ENDBRANCH  21  25
ENDBRANCH   1  18
TORSDOF 8