REMARK  Name = BDB031631
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.440  -0.062  -0.535  0.00  0.00    -0.304 N 
ATOM      2  H   LIG    1       -0.778   0.709  -0.588  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1       -1.003  -1.299  -0.956  0.00  0.00    +0.218 C 
ATOM      4  O   LIG    1       -1.540  -2.350  -0.617  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  11
ATOM      5  O   LIG    1       -5.777   1.963   2.064  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1       -4.797   1.355   1.646  0.00  0.00    +0.219 C 
ATOM      7  N   LIG    1       -3.538   1.892   1.746  0.00  0.00    -0.255 N 
ATOM      8  H   LIG    1       -3.507   2.838   2.101  0.00  0.00    +0.158 HD
ATOM      9  C   LIG    1       -2.430   1.486   1.046  0.00  0.00    +0.240 C 
ATOM     10  O   LIG    1       -1.459   2.228   0.902  0.00  0.00    -0.273 OA
ATOM     11  C   LIG    1       -2.474   0.062   0.483  0.00  0.00    +0.160 C 
ATOM     12  C   LIG    1       -3.868  -0.211  -0.072  0.00  0.00    +0.041 C 
ATOM     13  C   LIG    1       -4.898  -0.021   1.031  0.00  0.00    +0.098 C 
ENDBRANCH   1  11
BRANCH   3  14
ATOM     14  C   LIG    1        0.203  -1.254  -1.877  0.00  0.00    +0.130 C 
BRANCH  14  15
ATOM     15  C   LIG    1        1.493  -1.028  -1.125  0.00  0.00    -0.038 A 
ATOM     16  C   LIG    1        2.180   0.193  -1.243  0.00  0.00    +0.010 A 
ATOM     17  C   LIG    1        3.349   0.357  -0.522  0.00  0.00    -0.017 A 
ATOM     18  C   LIG    1        4.277   1.533  -0.453  0.00  0.00    +0.133 C 
ATOM     19  C   LIG    1        5.353   1.037   0.521  0.00  0.00    +0.222 C 
ATOM     20  N   LIG    1        5.007  -0.252   0.906  0.00  0.00    -0.285 N 
ATOM     21  H   LIG    1        5.561  -0.799   1.548  0.00  0.00    +0.155 HD
ATOM     22  O   LIG    1        6.336   1.654   0.896  0.00  0.00    -0.275 OA
ATOM     23  C   LIG    1        3.832  -0.660   0.297  0.00  0.00    +0.037 A 
ATOM     24  C   LIG    1        3.186  -1.868   0.437  0.00  0.00    +0.024 A 
ATOM     25  C   LIG    1        2.003  -2.047  -0.285  0.00  0.00    +0.006 A 
ENDBRANCH  14  15
ENDBRANCH   3  14
TORSDOF 3