REMARK  Name = BDB034702
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.978   1.296   1.265  0.00  0.00    -0.292 N 
ATOM      2  C   LIG    1       -0.257   1.079   0.636  0.00  0.00    +0.072 A 
ATOM      3  C   LIG    1       -0.798   2.323   0.317  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1       -2.016   2.441  -0.312  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1       -2.697   1.255  -0.619  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1       -2.159  -0.019  -0.309  0.00  0.00    +0.033 A 
ATOM      7  N   LIG    1        0.105   3.308   0.733  0.00  0.00    -0.295 N 
ATOM      8  C   LIG    1       -0.065   4.720   0.552  0.00  0.00    +0.154 C 
ATOM      9  C   LIG    1       -0.912  -0.099   0.336  0.00  0.00    +0.051 A 
ATOM     10  C   LIG    1        1.232   2.685   1.309  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1        2.233   3.231   1.748  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1       -2.855  -1.217  -0.578  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1       -2.234  -2.013  -0.714  0.00  0.00    +0.152 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -4.235  -1.492  -0.705  0.00  0.00    +0.053 A 
ATOM     15  C   LIG    1       -4.700  -2.525  -1.541  0.00  0.00    +0.110 A 
ATOM     16  C   LIG    1       -6.072  -2.709  -1.654  0.00  0.00    +0.148 A 
ATOM     17 CL   LIG    1       -6.781  -3.932  -2.639  0.00  0.00    -0.061 Cl
ATOM     18  N   LIG    1       -6.999  -1.962  -1.013  0.00  0.00    -0.242 NA
ATOM     19  C   LIG    1       -6.537  -0.980  -0.219  0.00  0.00    +0.114 A 
ATOM     20  C   LIG    1       -5.190  -0.710  -0.042  0.00  0.00    +0.044 A 
BRANCH  15  21
ATOM     21  C   LIG    1       -3.789  -3.358  -2.258  0.00  0.00    +0.104 C 
ATOM     22  N   LIG    1       -3.005  -4.018  -2.804  0.00  0.00    -0.191 NA
ENDBRANCH  15  21
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   1  23
ATOM     23  C   LIG    1        1.905   0.274   1.687  0.00  0.00    +0.129 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.857  -0.122   0.558  0.00  0.00    +0.051 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.876  -1.172   1.004  0.00  0.00    +0.162 C 
BRANCH  25  26
ATOM     26  N   LIG    1        3.189  -2.448   1.330  0.00  0.00    -0.318 NA
ATOM     27  H   LIG    1        2.871  -2.861   0.446  0.00  0.00    +0.119 HD
ATOM     28  H   LIG    1        3.898  -3.112   1.652  0.00  0.00    +0.119 HD
ENDBRANCH  25  26
BRANCH  25  29
ATOM     29  C   LIG    1        4.918  -1.405  -0.102  0.00  0.00    +0.324 C 
ATOM     30  O   LIG    1        5.007  -2.436  -0.759  0.00  0.00    -0.249 OA
BRANCH  29  32
ATOM     31  C   LIG    1        6.725  -0.452  -1.247  0.00  0.00    +0.280 C 
ATOM     32  O   LIG    1        5.726  -0.317  -0.235  0.00  0.00    -0.467 OA
ENDBRANCH  29  32
ENDBRANCH  25  29
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 9