REMARK  Name = BDB019390
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.734   0.769   0.885  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -1.241   0.224   2.051  0.00  0.00    -0.283 N 
ATOM      3  C   LIG    1       -0.999   1.055   3.236  0.00  0.00    +0.165 C 
ATOM      4  C   LIG    1       -1.032   0.068   4.397  0.00  0.00    +0.065 C 
ATOM      5  C   LIG    1       -0.500  -1.224   3.783  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1       -1.064  -1.189   2.359  0.00  0.00    +0.140 C 
ATOM      7  O   LIG    1       -1.974   1.969   0.762  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  10
ATOM      8  C   LIG    1       -3.498  -1.058  -1.878  0.00  0.00    +0.121 A 
ATOM      9  C   LIG    1       -3.267  -0.253  -0.763  0.00  0.00    +0.058 A 
ATOM     10  C   LIG    1       -1.965  -0.118  -0.270  0.00  0.00    +0.040 A 
ATOM     11  C   LIG    1       -0.887  -0.749  -0.896  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1       -1.118  -1.551  -2.010  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -2.420  -1.708  -2.491  0.00  0.00    +0.045 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -5.833  -0.608  -1.915  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1       -4.712  -1.292  -2.463  0.00  0.00    -0.495 OA
ENDBRANCH   8  15
ENDBRANCH   1  10
BRANCH   3  16
ATOM     16  C   LIG    1        0.371   1.747   3.072  0.00  0.00    +0.234 C 
ATOM     17  N   LIG    1        0.353   2.770   2.144  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1       -0.480   2.823   1.556  0.00  0.00    +0.149 HD
ATOM     19  O   LIG    1        1.384   1.390   3.667  0.00  0.00    -0.274 OA
BRANCH  17  20
ATOM     20  C   LIG    1        1.574   3.295   1.584  0.00  0.00    +0.139 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.030   2.443   0.424  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1        3.052   1.502   0.592  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1        3.441   0.678  -0.468  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1        2.808   0.768  -1.714  0.00  0.00    -0.010 A 
ATOM     25  C   LIG    1        1.781   1.708  -1.879  0.00  0.00    +0.009 A 
ATOM     26  C   LIG    1        1.394   2.536  -0.821  0.00  0.00    +0.006 A 
BRANCH  24  27
ATOM     27  C   LIG    1        3.195  -0.129  -2.806  0.00  0.00    +0.042 A 
ATOM     28  C   LIG    1        3.315  -1.514  -2.837  0.00  0.00    +0.053 A 
ATOM     29  C   LIG    1        3.049  -2.468  -1.727  0.00  0.00    +0.067 C 
ATOM     30  N   LIG    1        3.723  -2.042  -4.054  0.00  0.00    -0.252 NA
ATOM     31  C   LIG    1        3.912  -1.071  -4.917  0.00  0.00    +0.156 A 
ATOM     32  S   LIG    1        3.616   0.513  -4.348  0.00  0.00    -0.075 S 
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH   3  16
BRANCH   5  33
ATOM     33  O   LIG    1       -0.966  -2.342   4.520  0.00  0.00    -0.390 OA
ATOM     34  H   LIG    1       -0.473  -3.123   4.213  0.00  0.00    +0.210 HD
ENDBRANCH   5  33
TORSDOF 7