REMARK  Name = BDB013385
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.287   0.323   0.409  0.00  0.00    -0.025 A 
ATOM      2  C   LIG    1       -1.221   0.202   1.459  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -2.565  -0.104   1.209  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -3.038  -0.301  -0.092  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1       -4.469  -0.630  -0.294  0.00  0.00    -0.030 A 
ATOM      6  C   LIG    1       -4.978  -0.887  -1.694  0.00  0.00    +0.036 C 
ATOM      7  C   LIG    1       -6.380  -1.501  -1.746  0.00  0.00    +0.005 C 
ATOM      8  C   LIG    1       -7.310  -0.829  -0.749  0.00  0.00    +0.005 C 
ATOM      9  C   LIG    1       -6.769  -0.969   0.674  0.00  0.00    +0.041 C 
ATOM     10  C   LIG    1       -5.292  -0.696   0.775  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1       -4.774  -0.485   2.161  0.00  0.00    +0.253 A 
ATOM     12  O   LIG    1       -5.504  -0.565   3.144  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -2.125  -0.155  -1.141  0.00  0.00    +0.010 A 
ATOM     14  N   LIG    1       -3.445  -0.206   2.288  0.00  0.00    -0.322 N 
ATOM     15  H   LIG    1       -3.121  -0.056   3.234  0.00  0.00    +0.169 HD
ATOM     16  C   LIG    1       -0.777   0.153  -0.897  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   1  17
ATOM     17  C   LIG    1        1.198   0.663   0.727  0.00  0.00    +0.086 C 
ATOM     18  C   LIG    1        1.748  -0.419   1.693  0.00  0.00    +0.032 C 
BRANCH  17  19
ATOM     19  C   LIG    1        1.239   1.990   1.405  0.00  0.00    +0.074 C 
ATOM     20  N   LIG    1        1.198   3.007   1.967  0.00  0.00    -0.196 NA
ENDBRANCH  17  19
BRANCH  17  21
ATOM     21  C   LIG    1        2.087   0.702  -0.554  0.00  0.00    +0.100 C 
BRANCH  21  31
ATOM     22  C   LIG    1        4.326  -1.289  -1.310  0.00  0.00    +0.150 C 
ATOM     23  N   LIG    1        4.537  -0.025  -0.646  0.00  0.00    -0.331 N 
ATOM     24  C   LIG    1        5.753   0.481  -0.247  0.00  0.00    +0.069 A 
ATOM     25  C   LIG    1        5.436   1.708   0.328  0.00  0.00    +0.089 A 
ATOM     26  C   LIG    1        6.456   2.514   0.853  0.00  0.00    +0.030 A 
ATOM     27  C   LIG    1        7.778   2.060   0.783  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        8.076   0.827   0.203  0.00  0.00    +0.002 A 
ATOM     29  N   LIG    1        4.086   1.937   0.281  0.00  0.00    -0.232 NA
ATOM     30  C   LIG    1        7.070   0.009  -0.327  0.00  0.00    +0.028 A 
ATOM     31  C   LIG    1        3.556   0.882  -0.300  0.00  0.00    +0.112 A 
ENDBRANCH  21  31
ENDBRANCH  17  21
ENDBRANCH   1  17
TORSDOF 4