REMARK  Name = BDB032394
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.587   0.810  -0.102  0.00  0.00    -0.021 A 
ATOM      2  C   LIG    1       -1.187  -0.531  -0.016  0.00  0.00    +0.026 A 
ATOM      3  C   LIG    1        0.161  -0.874   0.147  0.00  0.00    +0.046 A 
ATOM      4 CL   LIG    1        0.544  -2.558   0.233  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1        1.144   0.122   0.222  0.00  0.00    -0.012 A 
ATOM      6  C   LIG    1        0.740   1.465   0.115  0.00  0.00    +0.007 A 
ATOM      7  C   LIG    1       -0.606   1.805  -0.048  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   1   8
ATOM      8  C   LIG    1       -3.035   1.175  -0.315  0.00  0.00    +0.195 C 
BRANCH   8   9
ATOM      9  O   LIG    1       -3.861   0.342   0.496  0.00  0.00    -0.372 OA
BRANCH   9  14
ATOM     10  C   LIG    1       -8.123  -1.694   0.234  0.00  0.00    +0.104 C 
ATOM     11  N   LIG    1       -8.060  -0.237   0.339  0.00  0.00    -0.305 NA
ATOM     12  C   LIG    1       -7.440   0.202   1.595  0.00  0.00    +0.086 C 
ATOM     13  C   LIG    1       -5.926   0.011   1.638  0.00  0.00    +0.047 C 
ATOM     14  C   LIG    1       -5.250   0.680   0.442  0.00  0.00    +0.121 C 
ATOM     15  C   LIG    1       -5.891   0.197  -0.860  0.00  0.00    +0.047 C 
ATOM     16  C   LIG    1       -7.409   0.375  -0.825  0.00  0.00    +0.086 C 
ENDBRANCH   9  14
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   5  17
ATOM     17  C   LIG    1        2.618  -0.174   0.402  0.00  0.00    +0.141 C 
BRANCH  17  18
ATOM     18  N   LIG    1        3.357   0.147  -0.828  0.00  0.00    -0.328 N 
ATOM     19  C   LIG    1        3.256  -0.808  -1.931  0.00  0.00    +0.129 C 
BRANCH  18  20
ATOM     20  C   LIG    1        4.661   0.646  -0.624  0.00  0.00    +0.038 A 
ATOM     21  C   LIG    1        5.756  -0.082  -0.062  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1        7.010   0.567   0.096  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1        8.082  -0.170   0.661  0.00  0.00    +0.124 A 
ATOM     24  N   LIG    1        7.977  -1.451   1.051  0.00  0.00    -0.240 NA
ATOM     25  C   LIG    1        6.789  -2.051   0.887  0.00  0.00    +0.113 A 
ATOM     26  C   LIG    1        7.142   1.914  -0.314  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1        6.077   2.614  -0.869  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1        5.679  -1.426   0.350  0.00  0.00    +0.030 A 
ATOM     29  C   LIG    1        4.852   1.981  -1.021  0.00  0.00    +0.024 A 
BRANCH  23  30
ATOM     30  N   LIG    1        9.350   0.407   0.850  0.00  0.00    -0.343 N 
ATOM     31  H   LIG    1        9.262   1.213   1.460  0.00  0.00    +0.144 HD
ATOM     32  H   LIG    1        9.714   0.710  -0.047  0.00  0.00    +0.144 HD
ENDBRANCH  23  30
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 7