REMARK Name = BDB060383 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 1.159 0.486 -1.092 0.00 0.00 -0.252 OA ATOM 2 C LIG 1 0.980 -0.181 -0.082 0.00 0.00 +0.308 C ATOM 3 N LIG 1 -0.250 -0.422 0.512 0.00 0.00 -0.269 N ATOM 4 H LIG 1 -0.221 -0.758 1.462 0.00 0.00 +0.156 HD ATOM 5 N LIG 1 1.987 -0.816 0.633 0.00 0.00 -0.269 N ATOM 6 H LIG 1 1.682 -1.563 1.238 0.00 0.00 +0.156 HD ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -1.523 -0.049 0.031 0.00 0.00 +0.038 A ATOM 8 C LIG 1 -2.613 -0.245 0.890 0.00 0.00 +0.072 A ATOM 9 C LIG 1 -3.906 0.084 0.480 0.00 0.00 +0.164 A ATOM 10 O LIG 1 -4.916 -0.157 1.377 0.00 0.00 -0.485 OA ATOM 11 C LIG 1 -6.200 -0.102 0.744 0.00 0.00 +0.270 C ATOM 12 C LIG 1 -6.300 1.109 -0.168 0.00 0.00 +0.270 C ATOM 13 O LIG 1 -5.357 1.012 -1.241 0.00 0.00 -0.485 OA ATOM 14 C LIG 1 -4.121 0.635 -0.785 0.00 0.00 +0.162 A ATOM 15 C LIG 1 -3.048 0.812 -1.652 0.00 0.00 +0.051 A ATOM 16 C LIG 1 -1.753 0.470 -1.246 0.00 0.00 +0.027 A ENDBRANCH 3 7 BRANCH 5 17 ATOM 17 C LIG 1 3.378 -0.711 0.423 0.00 0.00 +0.037 A ATOM 18 C LIG 1 3.972 0.260 -0.387 0.00 0.00 +0.056 A ATOM 19 C LIG 1 5.367 0.288 -0.528 0.00 0.00 +0.128 A ATOM 20 C LIG 1 6.178 -0.640 0.137 0.00 0.00 +0.033 A ATOM 21 C LIG 1 5.586 -1.599 0.955 0.00 0.00 +0.004 A ATOM 22 C LIG 1 4.196 -1.629 1.099 0.00 0.00 +0.023 A BRANCH 19 23 ATOM 23 N LIG 1 5.993 1.309 -1.376 0.00 0.00 +0.056 N ATOM 24 O LIG 1 5.303 2.274 -1.729 0.00 0.00 -0.126 OA ATOM 25 O LIG 1 7.184 1.148 -1.682 0.00 0.00 -0.126 OA ENDBRANCH 19 23 ENDBRANCH 5 17 TORSDOF 3