REMARK  Name = BDB023094
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.514  -1.021   0.809  0.00  0.00    +0.120 C 
ATOM      2  C   LIG    1       -0.372  -0.476   1.959  0.00  0.00    +0.166 C 
ATOM      3  C   LIG    1       -1.636   0.113   1.305  0.00  0.00    +0.151 C 
ATOM      4  C   LIG    1       -1.773  -0.685   0.010  0.00  0.00    +0.055 C 
ATOM      5  C   LIG    1       -0.309  -0.722  -0.456  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  11
ATOM      6  N   LIG    1        6.124   1.001  -0.171  0.00  0.00    -0.064 NA
ATOM      7  C   LIG    1        5.004   0.562  -0.656  0.00  0.00    +0.203 A 
ATOM      8  C   LIG    1        3.946   0.184   0.270  0.00  0.00    +0.064 A 
ATOM      9  C   LIG    1        3.870   0.129   1.678  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        2.619  -0.360   1.994  0.00  0.00    +0.089 A 
ATOM     11  N   LIG    1        1.888  -0.530   0.826  0.00  0.00    -0.328 N 
ATOM     12  C   LIG    1        2.737  -0.263  -0.215  0.00  0.00    +0.124 A 
ATOM     13  N   LIG    1        2.540  -0.387  -1.541  0.00  0.00    -0.332 N 
ATOM     14  H   LIG    1        1.714  -0.783  -1.968  0.00  0.00    +0.168 HD
ATOM     15  C   LIG    1        3.585  -0.030  -2.364  0.00  0.00    +0.200 A 
ATOM     16  N   LIG    1        4.746   0.421  -2.012  0.00  0.00    -0.215 NA
BRANCH   6  18
ATOM     17  C   LIG    1        8.236   1.784  -0.604  0.00  0.00    +0.313 C 
ATOM     18  O   LIG    1        7.033   1.317  -1.198  0.00  0.00    -0.395 OA
ENDBRANCH   6  18
ENDBRANCH   1  11
BRANCH   2  19
ATOM     19  O   LIG    1       -0.743  -1.565   2.819  0.00  0.00    -0.387 OA
ATOM     20  H   LIG    1       -1.629  -1.317   3.161  0.00  0.00    +0.210 HD
ENDBRANCH   2  19
BRANCH   3  21
ATOM     21  O   LIG    1       -2.738  -0.068   2.191  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1       -3.458   0.512   1.887  0.00  0.00    +0.210 HD
ENDBRANCH   3  21
BRANCH   4  23
ATOM     23  C   LIG    1       -2.698  -0.077  -1.058  0.00  0.00    +0.150 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.170  -0.114  -0.693  0.00  0.00    -0.017 A 
ATOM     25  C   LIG    1       -4.874   1.040  -0.305  0.00  0.00    +0.027 A 
ATOM     26  C   LIG    1       -6.233   0.977   0.030  0.00  0.00    +0.060 A 
ATOM     27 CL   LIG    1       -7.010   2.447   0.500  0.00  0.00    -0.082 Cl
ATOM     28  C   LIG    1       -6.907  -0.246  -0.018  0.00  0.00    +0.059 A 
ATOM     29 CL   LIG    1       -8.580  -0.401   0.380  0.00  0.00    -0.082 Cl
ATOM     30  C   LIG    1       -6.219  -1.399  -0.400  0.00  0.00    +0.022 A 
ATOM     31  C   LIG    1       -4.863  -1.334  -0.735  0.00  0.00    +0.008 A 
ENDBRANCH  23  24
BRANCH  23  32
ATOM     32  O   LIG    1       -2.281   1.251  -1.361  0.00  0.00    -0.387 OA
ATOM     33  H   LIG    1       -2.821   1.556  -2.114  0.00  0.00    +0.210 HD
ENDBRANCH  23  32
ENDBRANCH   4  23
TORSDOF 7