REMARK  Name = BDB001658
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.169  -0.964  -0.492  0.00  0.00    -0.201 N 
ATOM      2  C   LIG    1        0.160  -0.083  -0.194  0.00  0.00    +0.273 C 
ATOM      3  O   LIG    1        0.219   0.972   0.424  0.00  0.00    -0.268 OA
ATOM      4  C   LIG    1       -1.141  -0.622  -0.736  0.00  0.00    +0.117 C 
ATOM      5  C   LIG    1       -0.809  -1.788  -1.295  0.00  0.00    +0.129 C 
ATOM      6 CL   LIG    1       -1.796  -2.880  -2.149  0.00  0.00    -0.076 Cl
ATOM      7  C   LIG    1        0.635  -2.031  -1.159  0.00  0.00    +0.271 C 
ATOM      8  O   LIG    1        1.171  -3.035  -1.603  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   4   9
ATOM      9  N   LIG    1       -2.361   0.059  -0.606  0.00  0.00    -0.324 N 
ATOM     10  C   LIG    1       -3.664  -0.623  -0.691  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1       -4.727   0.029   0.208  0.00  0.00    +0.003 C 
ATOM     12  C   LIG    1       -4.428  -0.216   1.692  0.00  0.00    +0.009 C 
ATOM     13  C   LIG    1       -4.898   1.526  -0.089  0.00  0.00    +0.006 C 
ATOM     14  C   LIG    1       -3.730   2.109  -0.876  0.00  0.00    +0.019 C 
ATOM     15  C   LIG    1       -2.400   1.524  -0.420  0.00  0.00    +0.105 C 
ENDBRANCH   4   9
BRANCH   1  19
ATOM     16  C   LIG    1        5.309  -0.474   0.525  0.00  0.00    +0.120 A 
ATOM     17  C   LIG    1        4.860  -1.627  -0.108  0.00  0.00    +0.047 A 
ATOM     18  C   LIG    1        3.507  -1.789  -0.441  0.00  0.00    +0.027 A 
ATOM     19  C   LIG    1        2.553  -0.801  -0.152  0.00  0.00    +0.045 A 
ATOM     20  C   LIG    1        3.030   0.356   0.486  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1        4.386   0.520   0.821  0.00  0.00    +0.047 A 
BRANCH  16  23
ATOM     22  C   LIG    1        7.145   0.718   1.446  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1        6.647  -0.443   0.793  0.00  0.00    -0.495 OA
ENDBRANCH  16  23
ENDBRANCH   1  19
TORSDOF 3