REMARK  Name = BDB018302
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.155  -0.379   0.683  0.00  0.00    +0.024 A 
ATOM      2  C   LIG    1       -1.119  -0.048   1.531  0.00  0.00    +0.117 A 
ATOM      3  N   LIG    1       -0.641  -1.229   2.030  0.00  0.00    -0.267 N 
ATOM      4  N   LIG    1       -1.329  -2.307   1.598  0.00  0.00    -0.179 NA
ATOM      5  C   LIG    1       -2.234  -1.786   0.764  0.00  0.00    +0.143 A 
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1       -3.369   0.247  -1.470  0.00  0.00    +0.135 A 
ATOM      7  C   LIG    1       -2.959   0.534  -0.084  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1       -3.373   1.698   0.457  0.00  0.00    +0.101 A 
ATOM      9  N   LIG    1       -4.160   2.610  -0.225  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -4.561   3.830   0.459  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -4.590   2.386  -1.524  0.00  0.00    +0.255 A 
ATOM     12  O   LIG    1       -5.298   3.148  -2.176  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -4.138   1.118  -2.145  0.00  0.00    +0.116 A 
BRANCH   6  14
ATOM     14  O   LIG    1       -2.879  -0.942  -1.969  0.00  0.00    -0.491 OA
BRANCH  14  16
ATOM     15  C   LIG    1       -2.147  -0.686  -4.270  0.00  0.00    +0.048 C 
ATOM     16  C   LIG    1       -3.140  -1.328  -3.317  0.00  0.00    +0.226 C 
ENDBRANCH  14  16
ENDBRANCH   6  14
ENDBRANCH   1   7
BRANCH   3  17
ATOM     17  C   LIG    1        0.457  -1.395   2.974  0.00  0.00    +0.178 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.798  -1.153   2.326  0.00  0.00    -0.026 A 
ATOM     19  C   LIG    1        2.606  -0.083   2.731  0.00  0.00    +0.006 A 
ATOM     20  C   LIG    1        3.850   0.135   2.130  0.00  0.00    +0.009 A 
ATOM     21  C   LIG    1        4.315  -0.711   1.115  0.00  0.00    -0.015 A 
ATOM     22  C   LIG    1        3.506  -1.781   0.712  0.00  0.00    +0.009 A 
ATOM     23  C   LIG    1        2.263  -2.002   1.313  0.00  0.00    +0.006 A 
BRANCH  21  24
ATOM     24  C   LIG    1        5.602  -0.489   0.477  0.00  0.00    +0.019 A 
ATOM     25  C   LIG    1        6.698   0.102   1.071  0.00  0.00    +0.113 A 
ATOM     26  N   LIG    1        7.693   0.097   0.136  0.00  0.00    -0.284 N 
ATOM     27  H   LIG    1        8.641   0.449   0.226  0.00  0.00    +0.188 HD
ATOM     28  N   LIG    1        7.329  -0.456  -1.031  0.00  0.00    -0.182 NA
ATOM     29  C   LIG    1        6.059  -0.815  -0.822  0.00  0.00    +0.142 A 
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 6