REMARK  Name = BDB016457
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.951  -0.255   0.520  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -1.618  -0.002   0.489  0.00  0.00    -0.213 NA
ATOM      3  C   LIG    1       -0.783  -1.018   0.212  0.00  0.00    +0.126 A 
ATOM      4  C   LIG    1       -1.283  -2.280   0.021  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -0.599  -3.567  -0.286  0.00  0.00    +0.041 C 
ATOM      6  C   LIG    1       -1.705  -4.580   0.047  0.00  0.00    +0.011 C 
ATOM      7  C   LIG    1       -3.040  -3.865  -0.198  0.00  0.00    +0.056 C 
ATOM      8  C   LIG    1       -2.652  -2.442   0.081  0.00  0.00    +0.050 A 
ATOM      9  N   LIG    1       -3.521  -1.460   0.321  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1       -4.983   1.236   0.096  0.00  0.00    -0.034 A 
ATOM     11  C   LIG    1       -3.835   0.877   0.852  0.00  0.00    +0.023 A 
ATOM     12  C   LIG    1       -3.523   1.643   1.999  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -4.324   2.707   2.415  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -5.463   3.030   1.694  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -5.790   2.303   0.549  0.00  0.00    +0.004 A 
BRANCH  10  17
ATOM     16  C   LIG    1       -5.651   1.465  -2.355  0.00  0.00    +0.012 C 
ATOM     17  C   LIG    1       -5.370   0.507  -1.189  0.00  0.00    +0.014 C 
ATOM     18  C   LIG    1       -6.569  -0.415  -0.951  0.00  0.00    +0.012 C 
ENDBRANCH  10  17
ENDBRANCH   1  11
BRANCH   3  19
ATOM     19  N   LIG    1        0.603  -0.814   0.178  0.00  0.00    -0.325 N 
ATOM     20  H   LIG    1        0.994  -1.232  -0.661  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  C   LIG    1        1.013   0.578   0.317  0.00  0.00    +0.138 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.516   0.658   0.172  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1        3.100   1.220  -0.970  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1        4.491   1.280  -1.099  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        5.337   0.777  -0.097  0.00  0.00    -0.018 A 
ATOM     26  C   LIG    1        4.742   0.209   1.041  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1        3.352   0.149   1.175  0.00  0.00    +0.006 A 
BRANCH  25  28
ATOM     28  C   LIG    1        6.801   0.840  -0.237  0.00  0.00    -0.018 A 
ATOM     29  C   LIG    1        7.451   2.056  -0.509  0.00  0.00    +0.008 A 
ATOM     30  C   LIG    1        8.841   2.117  -0.642  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        9.606   0.962  -0.506  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        8.982  -0.254  -0.236  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        7.593  -0.313  -0.102  0.00  0.00    +0.008 A 
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   3  19
TORSDOF 6