REMARK  Name = BDB038667
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.117  -0.665  -0.579  0.00  0.00    -0.012 A 
ATOM      2  C   LIG    1       -0.081   0.275  -0.650  0.00  0.00    +0.052 A 
ATOM      3  C   LIG    1        1.196  -0.064  -0.215  0.00  0.00    +0.129 A 
ATOM      4  N   LIG    1        1.449  -1.288   0.281  0.00  0.00    -0.236 NA
ATOM      5  C   LIG    1        0.480  -2.234   0.344  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1       -0.806  -1.939  -0.096  0.00  0.00    +0.032 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1        2.250   0.872  -0.275  0.00  0.00    -0.248 N 
ATOM      8  C   LIG    1        3.549   0.634   0.176  0.00  0.00    +0.253 C 
ATOM      9  O   LIG    1        4.064  -0.328   0.714  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        4.320   1.852  -0.106  0.00  0.00    +0.045 A 
ATOM     11  C   LIG    1        3.476   2.779  -0.710  0.00  0.00    -0.017 A 
ATOM     12  C   LIG    1        3.954   4.023  -1.082  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1        5.300   4.310  -0.830  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1        6.133   3.359  -0.220  0.00  0.00    +0.118 A 
ATOM     15  C   LIG    1        5.654   2.108   0.153  0.00  0.00    +0.058 A 
ATOM     16  C   LIG    1        2.110   2.198  -0.848  0.00  0.00    +0.151 C 
BRANCH  14  17
ATOM     17  O   LIG    1        7.434   3.709  -0.007  0.00  0.00    -0.507 OA
ATOM     18  H   LIG    1        7.895   2.961   0.409  0.00  0.00    +0.292 HD
ENDBRANCH  14  17
ENDBRANCH   3   7
BRANCH   1  20
ATOM     19  C   LIG    1       -3.620  -0.473  -0.145  0.00  0.00    +0.028 A 
ATOM     20  C   LIG    1       -2.493  -0.313  -0.990  0.00  0.00    -0.007 A 
ATOM     21  C   LIG    1       -2.707   0.188  -2.291  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1       -3.987   0.514  -2.748  0.00  0.00    +0.019 A 
ATOM     23  C   LIG    1       -5.092   0.340  -1.915  0.00  0.00    +0.052 A 
ATOM     24  C   LIG    1       -4.907  -0.157  -0.623  0.00  0.00    +0.031 A 
BRANCH  19  27
ATOM     25  C   LIG    1       -2.201   0.825   2.362  0.00  0.00    +0.152 C 
ATOM     26  N   LIG    1       -2.885  -0.437   2.288  0.00  0.00    -0.317 N 
ATOM     27  C   LIG    1       -3.530  -1.004   1.216  0.00  0.00    +0.164 A 
ATOM     28  N   LIG    1       -4.086  -2.131   1.624  0.00  0.00    -0.129 NA
ATOM     29  N   LIG    1       -3.767  -2.323   2.947  0.00  0.00    -0.138 NA
ATOM     30  C   LIG    1       -3.044  -1.299   3.330  0.00  0.00    +0.225 A 
ENDBRANCH  19  27
BRANCH  23  31
ATOM     31  C   LIG    1       -6.406   0.667  -2.383  0.00  0.00    +0.099 C 
ATOM     32  N   LIG    1       -7.465   0.949  -2.766  0.00  0.00    -0.191 NA
ENDBRANCH  23  31
ENDBRANCH   1  20
BRANCH   5  33
ATOM     33  C   LIG    1        0.878  -3.577   0.923  0.00  0.00    +0.038 C 
ATOM     34  C   LIG    1       -0.062  -4.367   1.805  0.00  0.00    +0.010 C 
ATOM     35  C   LIG    1        0.281  -4.874   0.432  0.00  0.00    +0.010 C 
ENDBRANCH   5  33
TORSDOF 6