REMARK  Name = BDB034674
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.048  -0.028  -0.818  0.00  0.00    +0.033 A 
ATOM      2  C   LIG    1       -0.348   0.111  -0.717  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -1.117  -1.036  -0.675  0.00  0.00    +0.072 A 
ATOM      4  N   LIG    1       -2.507  -1.195  -0.575  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1       -2.809  -2.576  -0.532  0.00  0.00    +0.330 A 
ATOM      6  N   LIG    1       -1.573  -3.249  -0.644  0.00  0.00    -0.295 N 
ATOM      7  C   LIG    1       -1.397  -4.672  -0.636  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -3.912  -3.085  -0.412  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -0.543  -2.305  -0.722  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1        0.819  -2.480  -0.819  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1        1.612  -1.326  -0.863  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1        1.838   1.142  -0.816  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1        1.365   1.935  -1.245  0.00  0.00    +0.152 HD
BRANCH  12  20
ATOM     14  C   LIG    1        5.752  -0.032   1.988  0.00  0.00    +0.066 C 
ATOM     15  C   LIG    1        5.112   0.791   0.910  0.00  0.00    +0.042 A 
ATOM     16  N   LIG    1        5.875   1.723   0.304  0.00  0.00    -0.239 NA
ATOM     17  C   LIG    1        5.292   2.470  -0.660  0.00  0.00    +0.149 A 
ATOM     18 CL   LIG    1        6.378   3.620  -1.345  0.00  0.00    -0.061 Cl
ATOM     19  C   LIG    1        3.971   2.339  -1.064  0.00  0.00    +0.110 A 
ATOM     20  C   LIG    1        3.180   1.365  -0.430  0.00  0.00    +0.054 A 
ATOM     21  C   LIG    1        3.779   0.585   0.569  0.00  0.00    +0.047 A 
BRANCH  19  22
ATOM     22  C   LIG    1        3.435   3.171  -2.092  0.00  0.00    +0.104 C 
ATOM     23  N   LIG    1        2.939   3.832  -2.908  0.00  0.00    -0.191 NA
ENDBRANCH  19  22
ENDBRANCH  12  20
ENDBRANCH   1  12
BRANCH   4  24
ATOM     24  C   LIG    1       -3.473  -0.131  -0.429  0.00  0.00    +0.129 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.662   0.260   1.038  0.00  0.00    +0.053 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.557   1.484   1.246  0.00  0.00    +0.113 C 
ATOM     27  C   LIG    1       -3.917   2.780   0.765  0.00  0.00    +0.037 C 
BRANCH  26  28
ATOM     28  O   LIG    1       -5.791   1.295   0.565  0.00  0.00    -0.392 OA
ATOM     29  H   LIG    1       -6.383   2.025   0.814  0.00  0.00    +0.210 HD
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   4  24
TORSDOF 7