REMARK  Name = BDB008632
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.073   0.125  -1.081  0.00  0.00    +0.164 A 
ATOM      2  C   LIG    1        2.108   0.685  -2.367  0.00  0.00    +0.180 A 
ATOM      3  C   LIG    1        1.258   1.747  -2.691  0.00  0.00    +0.086 A 
ATOM      4 CL   LIG    1        1.228   2.432  -4.277  0.00  0.00    -0.080 Cl
ATOM      5  C   LIG    1        0.406   2.284  -1.724  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1        0.388   1.770  -0.416  0.00  0.00    -0.022 A 
ATOM      7  C   LIG    1        1.229   0.685  -0.114  0.00  0.00    +0.055 A 
ENDROOT
BRANCH   2   8
ATOM      8  O   LIG    1        2.908   0.139  -3.343  0.00  0.00    -0.490 OA
ATOM      9  C   LIG    1        4.248   0.612  -3.209  0.00  0.00    +0.277 C 
ENDBRANCH   2   8
BRANCH   6  10
ATOM     10  C   LIG    1       -0.574   2.371   0.605  0.00  0.00    +0.104 C 
ATOM     11  C   LIG    1       -0.034   2.476   2.039  0.00  0.00    +0.033 C 
BRANCH  10  12
ATOM     12  N   LIG    1       -1.916   1.750   0.525  0.00  0.00    -0.289 N 
ATOM     13  C   LIG    1       -2.094   0.426   0.966  0.00  0.00    +0.246 C 
ATOM     14  O   LIG    1       -1.203  -0.201   1.549  0.00  0.00    -0.273 OA
BRANCH  13  15
ATOM     15  C   LIG    1       -3.456  -0.244   0.670  0.00  0.00    +0.217 C 
ATOM     16  O   LIG    1       -4.471   0.258   1.552  0.00  0.00    -0.365 OA
ATOM     17  C   LIG    1       -5.733  -0.370   1.294  0.00  0.00    +0.176 C 
ATOM     18  C   LIG    1       -5.645  -1.895   1.447  0.00  0.00    +0.109 C 
ATOM     19  N   LIG    1       -4.612  -2.482   0.575  0.00  0.00    -0.311 NA
ATOM     20  H   LIG    1       -4.876  -2.331  -0.398  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1       -3.334  -1.778   0.835  0.00  0.00    +0.122 C 
ENDBRANCH  13  15
BRANCH  12  22
ATOM     22  C   LIG    1       -2.904   2.441  -0.281  0.00  0.00    +0.077 C 
ATOM     23  C   LIG    1       -4.196   2.946   0.311  0.00  0.00    +0.024 C 
ATOM     24  C   LIG    1       -3.167   3.924  -0.152  0.00  0.00    +0.024 C 
ENDBRANCH  12  22
ENDBRANCH  10  12
ENDBRANCH   6  10
BRANCH   1  25
ATOM     25  O   LIG    1        2.896  -0.950  -0.860  0.00  0.00    -0.488 OA
BRANCH  25  26
ATOM     26  C   LIG    1        2.614  -1.763   0.280  0.00  0.00    +0.231 C 
BRANCH  26  27
ATOM     27  C   LIG    1        3.459  -3.029   0.202  0.00  0.00    +0.069 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.952  -2.726   0.184  0.00  0.00    +0.163 C 
BRANCH  28  30
ATOM     29  C   LIG    1        7.067  -3.766   0.178  0.00  0.00    +0.193 C 
ATOM     30  O   LIG    1        5.661  -3.966   0.220  0.00  0.00    -0.383 OA
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 10