REMARK  Name = BDB057624
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.429   0.339   0.686  0.00  0.00    +0.124 A 
ATOM      2  N   LIG    1        1.334   1.543   0.125  0.00  0.00    -0.211 NA
ATOM      3  C   LIG    1        0.102   2.071   0.017  0.00  0.00    +0.182 A 
ATOM      4  N   LIG    1       -1.027   1.455   0.432  0.00  0.00    -0.211 NA
ATOM      5  C   LIG    1       -0.919   0.240   0.993  0.00  0.00    +0.127 A 
ATOM      6  C   LIG    1        0.325  -0.345   1.151  0.00  0.00    +0.087 A 
ENDROOT
BRANCH   5   7
ATOM      7  N   LIG    1       -2.080  -0.421   1.452  0.00  0.00    -0.314 N 
ATOM      8  C   LIG    1       -2.217  -1.794   0.932  0.00  0.00    +0.111 C 
ATOM      9  C   LIG    1       -3.557  -2.447   1.289  0.00  0.00    +0.054 C 
ATOM     10  C   LIG    1       -4.720  -2.079   0.388  0.00  0.00    -0.043 A 
ATOM     11  C   LIG    1       -4.938  -0.788  -0.134  0.00  0.00    -0.043 A 
ATOM     12  C   LIG    1       -6.044  -0.577  -0.983  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -6.942  -1.601  -1.277  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -6.751  -2.861  -0.729  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -4.036   0.405   0.120  0.00  0.00    +0.054 C 
ATOM     16  C   LIG    1       -5.652  -3.096   0.096  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1       -3.297   0.409   1.460  0.00  0.00    +0.111 C 
ENDBRANCH   5   7
BRANCH   3  18
ATOM     18  C   LIG    1       -0.041   3.415  -0.605  0.00  0.00    +0.108 A 
ATOM     19  N   LIG    1        1.087   4.013  -1.086  0.00  0.00    -0.252 NA
ATOM     20  C   LIG    1        0.974   5.233  -1.655  0.00  0.00    +0.111 A 
ATOM     21  C   LIG    1       -0.222   5.915  -1.780  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -1.372   5.311  -1.293  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -1.283   4.052  -0.701  0.00  0.00    +0.031 A 
ENDBRANCH   3  18
BRANCH   1  24
ATOM     24  N   LIG    1        2.729  -0.168   0.818  0.00  0.00    -0.328 N 
ATOM     25  H   LIG    1        3.301   0.580   0.407  0.00  0.00    +0.147 HD
BRANCH  24  26
ATOM     26  C   LIG    1        2.957  -1.423   0.098  0.00  0.00    +0.114 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.330  -1.988   0.444  0.00  0.00    +0.139 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.442  -1.236  -0.237  0.00  0.00    +0.309 C 
ATOM     29  O   LIG    1        5.300  -0.394  -1.112  0.00  0.00    -0.251 OA
BRANCH  28  30
ATOM     30  O   LIG    1        6.643  -1.663   0.249  0.00  0.00    -0.465 OA
BRANCH  30  32
ATOM     31  C   LIG    1        9.030  -1.569   0.315  0.00  0.00    +0.048 C 
ATOM     32  C   LIG    1        7.778  -1.008  -0.331  0.00  0.00    +0.229 C 
ENDBRANCH  30  32
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 8