REMARK  Name = BDB032038
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.731  -0.137  -0.420  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -0.518  -0.177   0.081  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -1.480  -0.317  -0.832  0.00  0.00    +0.167 A 
ATOM      4  N   LIG    1       -2.862  -0.387  -0.608  0.00  0.00    -0.271 N 
ATOM      5  C   LIG    1       -3.521  -0.518  -1.847  0.00  0.00    +0.331 A 
ATOM      6  N   LIG    1       -2.511  -0.546  -2.830  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1       -2.706  -0.660  -4.246  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -4.723  -0.593  -2.035  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -1.280  -0.417  -2.189  0.00  0.00    +0.107 A 
ATOM     10  C   LIG    1        0.004  -0.371  -2.621  0.00  0.00    +0.144 A 
ATOM     11  N   LIG    1        1.020  -0.232  -1.741  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -3.477  -0.280   0.700  0.00  0.00    +0.119 C 
ATOM     13  C   LIG    1       -4.375  -1.483   1.031  0.00  0.00    +0.185 C 
ATOM     14  O   LIG    1       -4.941  -1.353   2.341  0.00  0.00    -0.378 OA
ATOM     15  C   LIG    1       -5.783  -0.204   2.441  0.00  0.00    +0.160 C 
ATOM     16  C   LIG    1       -4.982   1.070   2.202  0.00  0.00    +0.030 C 
ATOM     17  C   LIG    1       -4.275   1.022   0.850  0.00  0.00    +0.030 C 
ENDBRANCH   4  12
BRANCH   1  18
ATOM     18  N   LIG    1        1.732  -0.006   0.539  0.00  0.00    -0.283 N 
ATOM     19  H   LIG    1        1.293   0.038   1.447  0.00  0.00    +0.155 HD
BRANCH  18  22
ATOM     20  C   LIG    1        3.230  -0.059   3.030  0.00  0.00    +0.046 C 
ATOM     21  C   LIG    1        3.876   0.135   1.683  0.00  0.00    -0.027 A 
ATOM     22  C   LIG    1        3.123   0.168   0.490  0.00  0.00    +0.039 A 
ATOM     23  C   LIG    1        3.825   0.332  -0.713  0.00  0.00    +0.053 A 
ATOM     24  C   LIG    1        5.208   0.482  -0.770  0.00  0.00    +0.091 A 
ATOM     25  C   LIG    1        5.949   0.461   0.432  0.00  0.00    +0.090 A 
ATOM     26  N   LIG    1        7.290   0.603   0.439  0.00  0.00    -0.252 NA
ATOM     27  C   LIG    1        7.882   0.765  -0.763  0.00  0.00    +0.131 A 
ATOM     28  C   LIG    1        7.162   0.786  -1.939  0.00  0.00    +0.131 A 
ATOM     29  N   LIG    1        5.819   0.646  -1.962  0.00  0.00    -0.252 NA
ATOM     30  C   LIG    1        5.273   0.288   1.629  0.00  0.00    +0.035 A 
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 3