REMARK Name = BDB017480 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.692 -0.143 0.529 0.00 0.00 +0.199 A ATOM 2 C LIG 1 0.453 0.346 1.145 0.00 0.00 +0.170 A ATOM 3 F LIG 1 0.353 1.221 2.156 0.00 0.00 -0.201 F ATOM 4 C LIG 1 1.722 -0.052 0.723 0.00 0.00 +0.065 A ATOM 5 C LIG 1 1.875 -0.952 -0.339 0.00 0.00 +0.038 A ATOM 6 C LIG 1 0.714 -1.488 -0.916 0.00 0.00 +0.065 A ATOM 7 C LIG 1 -0.551 -1.083 -0.486 0.00 0.00 +0.170 A ATOM 8 F LIG 1 -1.627 -1.636 -1.063 0.00 0.00 -0.201 F ENDROOT BRANCH 5 9 ATOM 9 N LIG 1 3.135 -1.427 -0.766 0.00 0.00 -0.299 N ATOM 10 H LIG 1 3.071 -1.947 -1.636 0.00 0.00 +0.154 HD BRANCH 9 11 ATOM 11 C LIG 1 4.392 -0.774 -0.690 0.00 0.00 +0.129 A ATOM 12 N LIG 1 4.481 0.521 -0.343 0.00 0.00 -0.200 NA ATOM 13 C LIG 1 5.692 1.082 -0.292 0.00 0.00 +0.216 A ATOM 14 N LIG 1 6.832 0.444 -0.521 0.00 0.00 -0.203 NA ATOM 15 C LIG 1 6.706 -0.846 -0.851 0.00 0.00 +0.136 A ATOM 16 CL LIG 1 8.193 -1.652 -1.144 0.00 0.00 -0.062 Cl ATOM 17 C LIG 1 5.518 -1.518 -0.957 0.00 0.00 +0.084 A BRANCH 13 18 ATOM 18 N LIG 1 5.763 2.412 0.060 0.00 0.00 -0.327 N ATOM 19 H LIG 1 4.947 2.686 0.588 0.00 0.00 +0.145 HD ATOM 20 H LIG 1 6.668 2.628 0.453 0.00 0.00 +0.145 HD ENDBRANCH 13 18 ENDBRANCH 9 11 ENDBRANCH 5 9 BRANCH 1 21 ATOM 21 O LIG 1 -1.916 0.258 1.003 0.00 0.00 -0.449 OA BRANCH 21 31 ATOM 22 C LIG 1 -4.452 -1.658 1.478 0.00 0.00 +0.046 C ATOM 23 C LIG 1 -4.875 -0.657 0.464 0.00 0.00 -0.020 A ATOM 24 C LIG 1 -4.071 0.397 -0.080 0.00 0.00 +0.064 A ATOM 25 C LIG 1 -4.862 1.083 -0.994 0.00 0.00 +0.142 A ATOM 26 N LIG 1 -4.523 2.150 -1.740 0.00 0.00 -0.237 NA ATOM 27 C LIG 1 -3.254 2.564 -1.521 0.00 0.00 +0.117 A ATOM 28 C LIG 1 -2.350 1.982 -0.645 0.00 0.00 +0.067 A ATOM 29 N LIG 1 -6.091 0.487 -1.018 0.00 0.00 -0.345 N ATOM 30 H LIG 1 -6.851 0.799 -1.604 0.00 0.00 +0.167 HD ATOM 31 C LIG 1 -2.751 0.858 0.082 0.00 0.00 +0.141 A ATOM 32 C LIG 1 -6.117 -0.566 -0.140 0.00 0.00 +0.088 A ENDBRANCH 21 31 ENDBRANCH 1 21 TORSDOF 5