REMARK Name = BDB018175 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.500 1.735 0.171 0.00 0.00 +0.256 C ATOM 2 N LIG 1 -0.139 1.715 0.270 0.00 0.00 -0.283 N ATOM 3 H LIG 1 0.170 2.530 0.792 0.00 0.00 +0.155 HD ATOM 4 O LIG 1 -2.045 2.761 0.601 0.00 0.00 -0.272 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 0.890 0.876 -0.186 0.00 0.00 +0.034 A ATOM 6 C LIG 1 2.155 1.083 0.383 0.00 0.00 +0.033 A ATOM 7 C LIG 1 3.268 0.307 0.005 0.00 0.00 +0.002 A ATOM 8 C LIG 1 3.132 -0.691 -0.977 0.00 0.00 +0.071 A ATOM 9 N LIG 1 4.160 -1.461 -1.373 0.00 0.00 -0.255 NA ATOM 10 C LIG 1 5.365 -1.254 -0.798 0.00 0.00 +0.111 A ATOM 11 C LIG 1 5.601 -0.299 0.172 0.00 0.00 +0.020 A ATOM 12 C LIG 1 1.883 -0.865 -1.551 0.00 0.00 +0.030 A ATOM 13 C LIG 1 4.534 0.493 0.579 0.00 0.00 +0.011 A ATOM 14 C LIG 1 0.773 -0.093 -1.173 0.00 0.00 +0.025 A ENDBRANCH 2 5 BRANCH 1 17 ATOM 15 N LIG 1 -4.490 -0.491 -0.033 0.00 0.00 -0.266 N ATOM 16 C LIG 1 -3.839 0.854 -0.190 0.00 0.00 +0.166 C ATOM 17 C LIG 1 -2.335 0.573 -0.359 0.00 0.00 +0.204 C ATOM 18 F LIG 1 -2.117 0.329 -1.686 0.00 0.00 -0.230 F ATOM 19 C LIG 1 -2.167 -0.717 0.429 0.00 0.00 +0.071 C ATOM 20 C LIG 1 -3.413 -1.505 0.054 0.00 0.00 +0.120 C BRANCH 15 22 ATOM 21 N LIG 1 -6.827 -0.997 -0.749 0.00 0.00 -0.174 NA ATOM 22 C LIG 1 -5.745 -0.760 -0.415 0.00 0.00 +0.169 C ENDBRANCH 15 22 ENDBRANCH 1 17 TORSDOF 3