REMARK  Name = BDB037016
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.271  -2.922  -2.228  0.00  0.00    +0.040 A 
ATOM      2  C   LIG    1       -1.906  -1.924  -1.501  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1       -1.732  -0.470  -1.520  0.00  0.00    +0.256 C 
ATOM      4  N   LIG    1       -2.562   0.043  -0.561  0.00  0.00    -0.222 N 
ATOM      5  C   LIG    1       -3.253  -0.946   0.081  0.00  0.00    +0.255 C 
ATOM      6  O   LIG    1       -4.063  -0.847   0.982  0.00  0.00    -0.270 OA
ATOM      7  O   LIG    1       -0.971   0.122  -2.264  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1       -2.848  -2.210  -0.528  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1       -3.240  -3.501  -0.236  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -2.634  -4.528  -0.961  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -1.654  -4.241  -1.937  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -2.612   1.458  -0.225  0.00  0.00    +0.171 C 
ATOM     13  C   LIG    1       -4.053   1.957  -0.282  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1       -4.736   1.896  -1.304  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -4.592   2.433   0.888  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -5.555   2.735   0.833  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -4.111   2.269   2.162  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -4.790   2.589   3.135  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -2.746   1.643   2.309  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1       -1.891   1.833   1.069  0.00  0.00    +0.041 C 
ENDBRANCH   4  12
BRANCH   1  21
ATOM     21  N   LIG    1       -0.213  -2.662  -3.126  0.00  0.00    -0.338 N 
ATOM     22  H   LIG    1       -0.247  -1.670  -3.391  0.00  0.00    +0.146 HD
BRANCH  21  23
ATOM     23  C   LIG    1        1.110  -2.920  -2.512  0.00  0.00    +0.160 C 
BRANCH  23  27
ATOM     24  N   LIG    1        2.212  -0.266  -0.294  0.00  0.00    -0.251 N 
ATOM     25  N   LIG    1        1.667  -1.137   0.572  0.00  0.00    -0.065 NA
ATOM     26  N   LIG    1        1.259  -2.188  -0.125  0.00  0.00    -0.133 NA
ATOM     27  C   LIG    1        1.547  -1.963  -1.449  0.00  0.00    +0.100 A 
ATOM     28  C   LIG    1        2.180  -0.744  -1.568  0.00  0.00    +0.135 A 
BRANCH  24  29
ATOM     29  C   LIG    1        2.706   1.011   0.168  0.00  0.00    +0.154 C 
BRANCH  29  30
ATOM     30  C   LIG    1        3.912   0.858   1.083  0.00  0.00    +0.119 C 
BRANCH  30  34
ATOM     31  C   LIG    1        6.054   3.325   2.967  0.00  0.00    +0.128 C 
ATOM     32  N   LIG    1        5.492   2.134   2.379  0.00  0.00    -0.318 N 
ATOM     33  H   LIG    1        5.710   1.243   2.808  0.00  0.00    +0.148 HD
ATOM     34  C   LIG    1        4.423   2.211   1.514  0.00  0.00    +0.215 C 
ATOM     35  O   LIG    1        3.938   3.266   1.123  0.00  0.00    -0.276 OA
ENDBRANCH  30  34
ENDBRANCH  29  30
ENDBRANCH  24  29
ENDBRANCH  23  27
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 7