REMARK Name = BDB036807 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.135 -0.269 1.280 0.00 0.00 +0.248 C ATOM 2 N LIG 1 -0.925 0.238 0.269 0.00 0.00 -0.300 N ATOM 3 H LIG 1 -0.481 0.379 -0.634 0.00 0.00 +0.150 HD ATOM 4 O LIG 1 -0.607 -0.703 2.327 0.00 0.00 -0.270 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 -2.364 0.021 0.270 0.00 0.00 +0.160 C ATOM 6 C LIG 1 -2.719 -1.190 -0.605 0.00 0.00 +0.240 C ATOM 7 O LIG 1 -1.900 -2.006 -1.022 0.00 0.00 -0.273 OA ATOM 8 N LIG 1 -4.052 -1.313 -0.923 0.00 0.00 -0.255 N ATOM 9 H LIG 1 -4.272 -2.104 -1.515 0.00 0.00 +0.158 HD ATOM 10 C LIG 1 -4.942 -0.274 -1.014 0.00 0.00 +0.219 C ATOM 11 O LIG 1 -5.973 -0.379 -1.672 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 -4.595 0.983 -0.250 0.00 0.00 +0.098 C ATOM 13 C LIG 1 -3.097 1.243 -0.268 0.00 0.00 +0.041 C ENDBRANCH 2 5 BRANCH 1 17 ATOM 14 C LIG 1 3.341 0.172 -0.255 0.00 0.00 +0.156 A ATOM 15 C LIG 1 1.947 0.196 -0.097 0.00 0.00 +0.177 A ATOM 16 F LIG 1 1.196 0.684 -1.101 0.00 0.00 -0.201 F ATOM 17 C LIG 1 1.340 -0.277 1.070 0.00 0.00 +0.075 A ATOM 18 C LIG 1 2.152 -0.783 2.094 0.00 0.00 +0.016 A ATOM 19 C LIG 1 3.540 -0.812 1.948 0.00 0.00 +0.004 A ATOM 20 C LIG 1 4.134 -0.335 0.777 0.00 0.00 +0.048 A BRANCH 14 22 ATOM 21 C LIG 1 5.212 0.629 -1.660 0.00 0.00 +0.277 C ATOM 22 O LIG 1 3.807 0.666 -1.444 0.00 0.00 -0.492 OA ENDBRANCH 14 22 ENDBRANCH 1 17 TORSDOF 3