REMARK  Name = BDB040419
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.226   0.956   1.840  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.580   0.634   1.265  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1        2.212  -0.571   1.571  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1        3.452  -0.895   1.006  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1        4.132  -2.410   1.509  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1        4.109  -0.031   0.095  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        3.463   1.191  -0.185  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1        4.120   2.418  -1.210  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1        2.217   1.508   0.384  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1        5.455  -0.458  -0.497  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1        5.700  -0.081  -1.951  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1        4.957  -0.444  -2.862  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1        6.794   0.707  -2.216  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1        6.927   0.949  -3.189  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1        7.498   1.478  -1.327  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1        8.285   2.336  -1.719  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1        7.195   1.274   0.137  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1        6.654  -0.120   0.398  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1       -1.383  -0.885   1.467  0.00  0.00    +0.223 C 
ATOM     20  N   LIG    1       -0.811   0.309   1.072  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -1.057   0.707   0.176  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1       -1.094  -1.421   2.535  0.00  0.00    -0.275 OA
BRANCH  19  23
ATOM     23  C   LIG    1       -2.414  -1.486   0.466  0.00  0.00    +0.066 C 
ATOM     24  C   LIG    1       -2.884  -2.852   1.008  0.00  0.00    +0.025 C 
ATOM     25  C   LIG    1       -1.650  -1.725  -0.859  0.00  0.00    +0.025 C 
BRANCH  23  33
ATOM     26  C   LIG    1       -6.460  -0.235  -2.286  0.00  0.00    +0.063 C 
ATOM     27  C   LIG    1       -5.596  -0.004  -1.075  0.00  0.00    +0.019 A 
ATOM     28  N   LIG    1       -5.938   1.000  -0.168  0.00  0.00    -0.316 N 
ATOM     29  C   LIG    1       -7.115   1.831  -0.392  0.00  0.00    +0.152 C 
ATOM     30  C   LIG    1       -5.195   1.235   0.988  0.00  0.00    +0.252 A 
ATOM     31  O   LIG    1       -5.442   2.098   1.826  0.00  0.00    -0.268 OA
ATOM     32  C   LIG    1       -4.006   0.367   1.194  0.00  0.00    +0.075 A 
ATOM     33  C   LIG    1       -3.646  -0.574   0.302  0.00  0.00    -0.026 A 
ATOM     34  C   LIG    1       -4.506  -0.761  -0.857  0.00  0.00    +0.026 A 
ENDBRANCH  23  33
ENDBRANCH  19  23
ENDBRANCH   1  20
TORSDOF 5