REMARK  Name = BDB034432
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.316   0.808  -1.573  0.00  0.00    -0.343 N 
ATOM      2  H   LIG    1        0.155   0.054  -0.909  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.648   0.760  -2.040  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1        2.706   0.432  -1.140  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1        4.026   0.412  -1.648  0.00  0.00    +0.073 A 
ATOM      6  C   LIG    1        5.074   0.071  -0.802  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1        4.880  -0.243   0.551  0.00  0.00    -0.045 A 
ATOM      8  C   LIG    1        3.587  -0.202   1.064  0.00  0.00    +0.004 A 
ATOM      9  N   LIG    1        4.324   0.716  -2.919  0.00  0.00    -0.255 NA
ATOM     10  C   LIG    1        3.315   1.081  -3.729  0.00  0.00    +0.113 A 
ATOM     11  C   LIG    1        2.517   0.133   0.232  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        1.990   1.129  -3.341  0.00  0.00    +0.043 A 
BRANCH   7  13
ATOM     13  C   LIG    1        6.052  -0.609   1.429  0.00  0.00    +0.038 C 
BRANCH  13  14
ATOM     14  C   LIG    1        6.640  -2.003   1.134  0.00  0.00    -0.013 C 
ATOM     15  C   LIG    1        7.946  -2.190   1.910  0.00  0.00    +0.007 C 
ATOM     16  C   LIG    1        5.662  -3.125   1.491  0.00  0.00    +0.007 C 
ENDBRANCH  13  14
ENDBRANCH   7  13
ENDBRANCH   1   3
BRANCH   1  17
ATOM     17  C   LIG    1       -0.790   0.986  -2.511  0.00  0.00    +0.103 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.131   1.009  -1.770  0.00  0.00    +0.034 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.566  -0.387  -1.312  0.00  0.00    +0.083 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -3.900  -0.411  -0.710  0.00  0.00    -0.312 NA
ATOM     21  H   LIG    1       -4.548   0.142  -1.271  0.00  0.00    +0.122 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -3.915   0.118   0.654  0.00  0.00    +0.120 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -6.186   1.171   1.170  0.00  0.00    +0.125 A 
ATOM     24  C   LIG    1       -5.314   0.064   1.226  0.00  0.00    +0.011 A 
ATOM     25  C   LIG    1       -5.768  -1.140   1.794  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1       -7.051  -1.226   2.315  0.00  0.00    +0.124 A 
ATOM     27  F   LIG    1       -7.470  -2.376   2.858  0.00  0.00    -0.205 F 
ATOM     28  C   LIG    1       -7.908  -0.135   2.277  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1       -7.478   1.063   1.702  0.00  0.00    +0.049 A 
BRANCH  23  31
ATOM     30  C   LIG    1       -6.522   3.447   0.528  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1       -5.685   2.298   0.572  0.00  0.00    -0.495 OA
ENDBRANCH  23  31
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 10