REMARK  Name = BDB046487
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.001   0.250   1.543  0.00  0.00    -0.310 N 
ATOM      2  H   LIG    1       -0.687   0.858   0.800  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1       -0.143  -0.695   2.060  0.00  0.00    +0.244 C 
ATOM      4  O   LIG    1       -0.403  -1.383   3.041  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.160  -0.848   1.357  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1        1.285  -0.624  -0.019  0.00  0.00    +0.015 A 
ATOM      7  C   LIG    1        2.526  -0.789  -0.644  0.00  0.00    +0.024 A 
ATOM      8  C   LIG    1        3.648  -1.202   0.087  0.00  0.00    +0.034 A 
ATOM      9  C   LIG    1        3.510  -1.448   1.455  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        2.273  -1.271   2.087  0.00  0.00    +0.015 A 
BRANCH   8  11
ATOM     11  N   LIG    1        4.852  -1.353  -0.623  0.00  0.00    -0.279 N 
ATOM     12  H   LIG    1        4.842  -1.114  -1.609  0.00  0.00    +0.155 HD
ATOM     13  C   LIG    1        6.072  -1.820  -0.163  0.00  0.00    +0.284 C 
ATOM     14  O   LIG    1        6.308  -2.191   0.982  0.00  0.00    -0.266 OA
BRANCH  13  15
ATOM     15  C   LIG    1        7.084  -1.843  -1.204  0.00  0.00    +0.189 A 
ATOM     16  O   LIG    1        6.787  -1.341  -2.447  0.00  0.00    -0.458 OA
ATOM     17  C   LIG    1        7.897  -1.488  -3.214  0.00  0.00    +0.196 A 
ATOM     18  C   LIG    1        8.908  -2.081  -2.493  0.00  0.00    +0.042 A 
ATOM     19  C   LIG    1        8.389  -2.301  -1.195  0.00  0.00    +0.054 A 
ENDBRANCH  13  15
ENDBRANCH   8  11
ENDBRANCH   3   5
BRANCH   1  20
ATOM     20  C   LIG    1       -2.352   0.411   2.057  0.00  0.00    +0.116 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.220   1.411   1.219  0.00  0.00    +0.015 C 
ATOM     22  C   LIG    1       -4.694   1.373   1.726  0.00  0.00    +0.041 C 
ATOM     23  C   LIG    1       -5.002   2.422   2.793  0.00  0.00    +0.160 C 
ATOM     24  O   LIG    1       -3.860   2.653   3.603  0.00  0.00    -0.380 OA
ATOM     25  C   LIG    1       -2.815   3.317   2.895  0.00  0.00    +0.160 C 
ATOM     26  C   LIG    1       -2.692   2.855   1.441  0.00  0.00    +0.041 C 
BRANCH  21  30
ATOM     27  C   LIG    1       -3.117   0.031  -2.948  0.00  0.00    +0.120 A 
ATOM     28  C   LIG    1       -3.651  -0.770  -1.943  0.00  0.00    +0.046 A 
ATOM     29  C   LIG    1       -3.691  -0.307  -0.620  0.00  0.00    +0.008 A 
ATOM     30  C   LIG    1       -3.196   0.964  -0.264  0.00  0.00    -0.039 A 
ATOM     31  C   LIG    1       -2.674   1.761  -1.294  0.00  0.00    +0.008 A 
ATOM     32  C   LIG    1       -2.637   1.298  -2.616  0.00  0.00    +0.046 A 
BRANCH  27  34
ATOM     33  C   LIG    1       -3.390  -1.620  -4.634  0.00  0.00    +0.277 C 
ATOM     34  O   LIG    1       -3.006  -0.297  -4.271  0.00  0.00    -0.495 OA
ENDBRANCH  27  34
ENDBRANCH  21  30
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 7