REMARK Name = BDB025270 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.075 -0.234 -0.336 0.00 0.00 -0.313 N ATOM 2 C LIG 1 0.617 1.027 -0.291 0.00 0.00 +0.143 A ATOM 3 C LIG 1 2.001 0.911 -0.208 0.00 0.00 +0.041 A ATOM 4 C LIG 1 2.722 2.122 -0.171 0.00 0.00 +0.031 A ATOM 5 C LIG 1 2.021 3.327 -0.218 0.00 0.00 +0.036 A ATOM 6 C LIG 1 0.641 3.287 -0.292 0.00 0.00 +0.114 A ATOM 7 BR LIG 1 4.608 2.191 -0.059 0.00 0.00 -0.049 Br ATOM 8 C LIG 1 2.292 -0.494 -0.172 0.00 0.00 +0.010 A ATOM 9 C LIG 1 3.481 -1.252 -0.080 0.00 0.00 +0.011 A ATOM 10 C LIG 1 3.427 -2.649 -0.058 0.00 0.00 +0.001 A ATOM 11 C LIG 1 2.207 -3.307 -0.126 0.00 0.00 +0.002 A ATOM 12 C LIG 1 1.012 -2.590 -0.219 0.00 0.00 +0.026 A ATOM 13 N LIG 1 -0.108 2.166 -0.324 0.00 0.00 -0.237 NA ATOM 14 C LIG 1 1.073 -1.185 -0.243 0.00 0.00 +0.052 A ENDROOT BRANCH 1 21 ATOM 15 O LIG 1 -5.296 0.788 -0.473 0.00 0.00 -0.275 OA ATOM 16 C LIG 1 -4.112 0.471 -0.402 0.00 0.00 +0.219 C ATOM 17 N LIG 1 -3.235 0.768 -1.413 0.00 0.00 -0.255 N ATOM 18 H LIG 1 -3.641 1.223 -2.219 0.00 0.00 +0.158 HD ATOM 19 C LIG 1 -1.994 0.209 -1.617 0.00 0.00 +0.242 C ATOM 20 O LIG 1 -1.502 0.209 -2.745 0.00 0.00 -0.273 OA ATOM 21 C LIG 1 -1.360 -0.499 -0.424 0.00 0.00 +0.176 C ATOM 22 C LIG 1 -2.071 -0.161 0.890 0.00 0.00 +0.044 C ATOM 23 C LIG 1 -3.569 -0.359 0.735 0.00 0.00 +0.099 C ENDBRANCH 1 21 TORSDOF 1