REMARK  Name = BDB015921
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.184   0.195  -0.388  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -0.956  -0.510  -0.538  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -2.134   0.153  -0.501  0.00  0.00    +0.132 A 
ATOM      4  C   LIG    1       -2.185   1.539  -0.360  0.00  0.00    +0.060 A 
ATOM      5  C   LIG    1       -0.959   2.160  -0.200  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1        0.231   1.523  -0.209  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        3.917  -0.588  -0.200  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.693   0.101  -0.178  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        1.462  -0.546  -0.418  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        1.504  -1.927  -0.688  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        2.712  -2.627  -0.717  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        3.912  -1.960  -0.474  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        8.570   0.501   1.162  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        7.220   0.586   0.660  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        6.756   1.765   0.211  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        5.502   1.485  -0.156  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        5.159   0.126   0.047  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        6.306  -0.425   0.583  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -3.404   2.342  -0.376  0.00  0.00    +0.097 A 
ATOM     20  N   LIG    1       -3.496   3.479   0.339  0.00  0.00    -0.171 NA
ATOM     21  N   LIG    1       -4.732   3.943   0.086  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -5.173   5.162   0.718  0.00  0.00    +0.172 C 
ATOM     23  C   LIG    1       -5.436   3.169  -0.783  0.00  0.00    +0.108 A 
ATOM     24  C   LIG    1       -4.604   2.125  -1.109  0.00  0.00    +0.049 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -3.317  -0.600  -0.641  0.00  0.00    -0.326 N 
ATOM     26  H   LIG    1       -3.959  -0.340   0.114  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -3.166  -2.061  -0.642  0.00  0.00    +0.136 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.978  -2.603   0.784  0.00  0.00    +0.157 C 
BRANCH  28  29
ATOM     29  O   LIG    1       -4.126  -2.247   1.580  0.00  0.00    -0.388 OA
ATOM     30  H   LIG    1       -4.013  -2.759   2.406  0.00  0.00    +0.210 HD
ENDBRANCH  28  29
BRANCH  28  31
ATOM     31  C   LIG    1       -2.840  -4.126   0.783  0.00  0.00    +0.188 C 
BRANCH  31  32
ATOM     32  O   LIG    1       -2.734  -4.573   2.137  0.00  0.00    -0.392 OA
ATOM     33  H   LIG    1       -2.624  -5.540   2.109  0.00  0.00    +0.210 HD
ENDBRANCH  31  32
ENDBRANCH  28  31
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 9