REMARK  Name = BDB032449
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.526   2.294  -1.589  0.00  0.00    +0.067 A 
ATOM      2  N   LIG    1        0.303   3.114  -2.649  0.00  0.00    -0.258 NA
ATOM      3  C   LIG    1       -0.894   3.023  -3.267  0.00  0.00    +0.111 A 
ATOM      4  C   LIG    1       -1.898   2.155  -2.879  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1       -1.672   1.319  -1.783  0.00  0.00    -0.027 A 
ATOM      6  C   LIG    1       -0.441   1.403  -1.125  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        1.859   2.438  -0.887  0.00  0.00    +0.215 C 
BRANCH   7   8
ATOM      8  O   LIG    1        2.266   1.207  -0.279  0.00  0.00    -0.370 OA
BRANCH   8  12
ATOM      9  N   LIG    1        5.723  -0.761   0.174  0.00  0.00    -0.300 NA
ATOM     10  C   LIG    1        4.363  -1.073   0.654  0.00  0.00    +0.087 C 
ATOM     11  C   LIG    1        3.660   0.103   1.331  0.00  0.00    +0.047 C 
ATOM     12  C   LIG    1        3.533   1.300   0.386  0.00  0.00    +0.121 C 
ATOM     13  C   LIG    1        4.677   1.339  -0.630  0.00  0.00    +0.047 C 
ATOM     14  C   LIG    1        5.931   0.672  -0.070  0.00  0.00    +0.087 C 
BRANCH   9  16
ATOM     15  C   LIG    1        8.210  -0.922   0.614  0.00  0.00    +0.024 C 
ATOM     16  C   LIG    1        6.793  -1.414   0.960  0.00  0.00    +0.050 C 
ATOM     17  C   LIG    1        6.771  -2.936   0.731  0.00  0.00    +0.024 C 
ENDBRANCH   9  16
ENDBRANCH   8  12
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   5  18
ATOM     18  C   LIG    1       -2.741   0.363  -1.313  0.00  0.00    +0.137 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -3.840   1.126  -0.733  0.00  0.00    -0.340 N 
ATOM     20  H   LIG    1       -3.508   1.917  -0.185  0.00  0.00    +0.146 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -4.895   0.461  -0.105  0.00  0.00    +0.028 A 
ATOM     22  C   LIG    1       -5.245  -0.870  -0.368  0.00  0.00    +0.033 A 
ATOM     23  C   LIG    1       -6.368  -1.505   0.231  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -7.187  -0.746   1.097  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1       -8.310  -1.377   1.681  0.00  0.00    +0.124 A 
ATOM     26  N   LIG    1       -8.632  -2.667   1.480  0.00  0.00    -0.239 NA
ATOM     27  C   LIG    1       -7.831  -3.373   0.654  0.00  0.00    +0.133 A 
ATOM     28  C   LIG    1       -6.851   0.603   1.335  0.00  0.00    +0.014 A 
ATOM     29  C   LIG    1       -6.716  -2.854   0.013  0.00  0.00    +0.067 A 
ATOM     30 CL   LIG    1       -5.809  -3.907  -1.016  0.00  0.00    -0.081 Cl
ATOM     31  C   LIG    1       -5.738   1.193   0.732  0.00  0.00    +0.023 A 
BRANCH  25  32
ATOM     32  N   LIG    1       -9.180  -0.695   2.536  0.00  0.00    -0.343 N 
ATOM     33  H   LIG    1       -9.567   0.123   2.080  0.00  0.00    +0.144 HD
ATOM     34  H   LIG    1       -9.911  -1.357   2.789  0.00  0.00    +0.144 HD
ENDBRANCH  25  32
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH   5  18
TORSDOF 8