REMARK  Name = BDB007320
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.798  -1.459  -0.163  0.00  0.00    +0.011 C 
ATOM      2  C   LIG    1       -5.278  -0.196  -0.882  0.00  0.00    -0.023 C 
ATOM      3  C   LIG    1       -4.917   0.900   0.142  0.00  0.00    +0.058 C 
ATOM      4  C   LIG    1       -3.623   0.652   0.883  0.00  0.00    +0.017 C 
ATOM      5  N   LIG    1       -3.480   1.291   2.112  0.00  0.00    -0.301 N 
ATOM      6  H   LIG    1       -4.251   1.856   2.447  0.00  0.00    +0.153 HD
ATOM      7  C   LIG    1       -2.435   1.076   2.936  0.00  0.00    +0.148 A 
ATOM      8  C   LIG    1       -1.372   0.244   2.514  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1       -1.349  -0.407   1.159  0.00  0.00    +0.089 C 
ATOM     10  C   LIG    1       -0.509   0.215   3.588  0.00  0.00    +0.111 A 
ATOM     11  N   LIG    1       -1.073   1.025   4.533  0.00  0.00    -0.283 N 
ATOM     12  H   LIG    1       -0.709   1.260   5.450  0.00  0.00    +0.188 HD
ATOM     13  N   LIG    1       -2.256   1.553   4.163  0.00  0.00    -0.158 NA
ATOM     14  C   LIG    1       -2.649  -0.161   0.408  0.00  0.00    +0.024 C 
ATOM     15  C   LIG    1       -2.845  -0.894  -0.871  0.00  0.00    +0.162 C 
ATOM     16  O   LIG    1       -2.045  -1.756  -1.231  0.00  0.00    -0.292 OA
ATOM     17  C   LIG    1       -4.040  -0.532  -1.728  0.00  0.00    +0.086 C 
ATOM     18  C   LIG    1       -6.395   0.322  -1.805  0.00  0.00    +0.011 C 
ENDROOT
BRANCH   9  19
ATOM     19  C   LIG    1       -0.128   0.179   0.457  0.00  0.00    -0.032 A 
ATOM     20  C   LIG    1        0.916  -0.675   0.060  0.00  0.00    +0.051 A 
ATOM     21  C   LIG    1        2.053  -0.173  -0.580  0.00  0.00    +0.132 A 
ATOM     22  C   LIG    1        2.145   1.189  -0.866  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1        1.116   2.050  -0.488  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -0.012   1.551   0.166  0.00  0.00    +0.005 A 
BRANCH  21  25
ATOM     25  O   LIG    1        2.991  -1.098  -0.969  0.00  0.00    -0.425 OA
BRANCH  25  26
ATOM     26  C   LIG    1        4.296  -0.847  -0.921  0.00  0.00    +0.302 A 
ATOM     27  N   LIG    1        5.188  -1.715  -1.486  0.00  0.00    -0.308 N 
ATOM     28  H   LIG    1        4.939  -2.561  -1.976  0.00  0.00    +0.170 HD
ATOM     29  C   LIG    1        6.451  -1.229  -1.274  0.00  0.00    +0.069 A 
ATOM     30  C   LIG    1        6.244  -0.056  -0.554  0.00  0.00    +0.093 A 
ATOM     31  C   LIG    1        7.351   0.709  -0.160  0.00  0.00    +0.030 A 
ATOM     32  C   LIG    1        8.633   0.264  -0.507  0.00  0.00    +0.002 A 
ATOM     33  C   LIG    1        8.809  -0.918  -1.231  0.00  0.00    +0.002 A 
ATOM     34  C   LIG    1        7.716  -1.696  -1.633  0.00  0.00    +0.028 A 
ATOM     35  N   LIG    1        4.904   0.162  -0.340  0.00  0.00    -0.195 NA
ENDBRANCH  25  26
ENDBRANCH  21  25
ENDBRANCH   9  19
TORSDOF 3