REMARK  Name = BDB063981
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.499  -0.698   0.471  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1       -0.098   0.229  -0.424  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -0.679   0.798  -1.015  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        1.247   0.387  -0.331  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        1.947   1.154  -0.959  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.609  -0.600   0.730  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        2.828  -0.887   1.204  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        0.458  -1.224   1.175  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        4.098  -0.283   0.793  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        5.078  -1.103   0.216  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        6.307  -0.525  -0.149  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        6.579   0.830   0.056  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        7.834   1.254  -0.350  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        8.494   0.239  -0.857  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        5.585   1.635   0.646  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        7.682  -1.268  -0.878  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        4.357   1.071   1.013  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -1.802  -1.050   0.631  0.00  0.00    -0.309 N 
ATOM     19  H   LIG    1       -1.874  -1.842   1.262  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.780  -1.095  -0.454  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.231   0.295  -0.882  0.00  0.00    -0.026 A 
ATOM     22  C   LIG    1       -3.362   1.351   0.035  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -3.776   2.615  -0.387  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -4.072   2.841  -1.730  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -3.955   1.802  -2.651  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -3.540   0.537  -2.231  0.00  0.00    +0.005 A 
ENDBRANCH  20  21
BRANCH  20  27
ATOM     27  C   LIG    1       -3.992  -2.015  -0.090  0.00  0.00    +0.107 C 
BRANCH  27  29
ATOM     28  C   LIG    1       -4.439  -1.642   2.296  0.00  0.00    +0.101 C 
ATOM     29  N   LIG    1       -4.950  -1.574   0.938  0.00  0.00    -0.317 NA
ATOM     30  H   LIG    1       -5.253  -0.620   0.735  0.00  0.00    +0.122 HD
ENDBRANCH  27  29
ENDBRANCH  20  27
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 6