REMARK Name = BDB033506 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.183 -0.024 1.723 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -1.279 -0.659 0.478 0.00 0.00 +0.073 A ATOM 3 C LIG 1 -2.308 -0.382 -0.428 0.00 0.00 +0.054 A ATOM 4 C LIG 1 -2.088 -1.200 -1.572 0.00 0.00 +0.080 A ATOM 5 C LIG 1 -0.957 -1.954 -1.339 0.00 0.00 +0.102 A ATOM 6 C LIG 1 -3.275 0.572 -0.060 0.00 0.00 +0.134 A ATOM 7 F LIG 1 -4.282 0.875 -0.890 0.00 0.00 -0.205 F ATOM 8 C LIG 1 -3.198 1.216 1.176 0.00 0.00 +0.041 A ATOM 9 N LIG 1 -0.485 -1.629 -0.095 0.00 0.00 -0.358 N ATOM 10 H LIG 1 0.327 -2.034 0.353 0.00 0.00 +0.165 HD ATOM 11 C LIG 1 -2.159 0.922 2.058 0.00 0.00 +0.029 A ENDROOT BRANCH 1 12 ATOM 12 N LIG 1 -0.078 -0.289 2.590 0.00 0.00 -0.214 N ATOM 13 H LIG 1 -0.357 -0.358 3.571 0.00 0.00 +0.174 HD BRANCH 12 14 ATOM 14 S LIG 1 1.190 0.856 2.538 0.00 0.00 +0.080 S ATOM 15 O LIG 1 0.615 2.176 2.678 0.00 0.00 -0.149 OA ATOM 16 O LIG 1 2.204 0.386 3.455 0.00 0.00 -0.149 OA BRANCH 14 20 ATOM 17 C LIG 1 3.987 -0.545 -2.037 0.00 0.00 +0.073 C ATOM 18 C LIG 1 3.137 0.163 -1.042 0.00 0.00 +0.077 A ATOM 19 S LIG 1 2.873 -0.524 0.513 0.00 0.00 -0.052 S ATOM 20 C LIG 1 1.910 0.826 0.935 0.00 0.00 +0.165 A ATOM 21 C LIG 1 1.847 1.700 -0.127 0.00 0.00 +0.147 A ATOM 22 N LIG 1 2.539 1.315 -1.260 0.00 0.00 -0.251 NA ENDBRANCH 14 20 ENDBRANCH 12 14 ENDBRANCH 1 12 BRANCH 4 23 ATOM 23 C LIG 1 -2.880 -1.257 -2.762 0.00 0.00 +0.101 C ATOM 24 N LIG 1 -3.508 -1.325 -3.736 0.00 0.00 -0.191 NA ENDBRANCH 4 23 TORSDOF 4