REMARK Name = BDB034223 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 4.391 0.287 0.839 0.00 0.00 -0.279 N ATOM 2 C LIG 1 3.814 -0.039 2.062 0.00 0.00 +0.248 C ATOM 3 O LIG 1 4.267 0.145 3.175 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.516 -0.655 1.771 0.00 0.00 +0.042 A ATOM 5 C LIG 1 2.313 -0.606 0.394 0.00 0.00 -0.015 A ATOM 6 C LIG 1 1.152 -1.118 -0.166 0.00 0.00 +0.051 A ATOM 7 C LIG 1 0.197 -1.682 0.688 0.00 0.00 +0.121 A ATOM 8 C LIG 1 0.427 -1.724 2.079 0.00 0.00 +0.046 A ATOM 9 C LIG 1 1.596 -1.204 2.639 0.00 0.00 +0.017 A ATOM 10 C LIG 1 3.476 0.056 -0.265 0.00 0.00 +0.145 C ENDROOT BRANCH 1 15 ATOM 11 O LIG 1 8.601 3.713 0.294 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 7.642 2.979 0.518 0.00 0.00 +0.223 C ATOM 13 C LIG 1 7.635 1.399 0.480 0.00 0.00 +0.080 C ATOM 14 C LIG 1 6.541 0.795 -0.465 0.00 0.00 +0.048 C ATOM 15 C LIG 1 5.568 1.164 0.717 0.00 0.00 +0.116 C ATOM 16 C LIG 1 5.244 2.743 0.763 0.00 0.00 +0.243 C ATOM 17 O LIG 1 4.142 3.285 0.695 0.00 0.00 -0.273 OA ATOM 18 C LIG 1 6.790 0.750 1.623 0.00 0.00 +0.048 C ATOM 19 N LIG 1 6.396 3.508 0.794 0.00 0.00 -0.254 N ATOM 20 H LIG 1 6.293 4.512 0.752 0.00 0.00 +0.158 HD ENDBRANCH 1 15 BRANCH 7 21 ATOM 21 O LIG 1 -0.993 -2.239 0.308 0.00 0.00 -0.487 OA BRANCH 21 22 ATOM 22 C LIG 1 -1.432 -2.074 -1.038 0.00 0.00 +0.190 C ATOM 23 C LIG 1 -2.968 -2.260 -1.122 0.00 0.00 +0.097 C ATOM 24 C LIG 1 -3.211 -2.647 -2.595 0.00 0.00 +0.023 C ATOM 25 C LIG 1 -1.888 -3.224 -3.105 0.00 0.00 +0.005 C ATOM 26 C LIG 1 -0.937 -3.219 -1.919 0.00 0.00 +0.046 C BRANCH 23 27 ATOM 27 N LIG 1 -3.725 -1.157 -0.519 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 -3.645 0.130 -1.235 0.00 0.00 +0.094 C ATOM 29 C LIG 1 -5.160 0.328 -0.938 0.00 0.00 +0.048 C ATOM 30 C LIG 1 -5.175 -1.220 -0.776 0.00 0.00 +0.094 C BRANCH 29 31 ATOM 31 C LIG 1 -5.546 1.292 0.291 0.00 0.00 -0.023 A ATOM 32 C LIG 1 -5.870 2.660 0.112 0.00 0.00 +0.047 A ATOM 33 CL LIG 1 -5.844 3.368 -1.468 0.00 0.00 -0.083 Cl ATOM 34 C LIG 1 -6.205 3.497 1.180 0.00 0.00 +0.058 A ATOM 35 C LIG 1 -6.215 2.985 2.466 0.00 0.00 +0.125 A ATOM 36 F LIG 1 -6.533 3.782 3.493 0.00 0.00 -0.205 F ATOM 37 C LIG 1 -5.890 1.660 2.703 0.00 0.00 +0.039 A ATOM 38 C LIG 1 -5.558 0.830 1.628 0.00 0.00 +0.008 A ENDBRANCH 29 31 ENDBRANCH 23 27 ENDBRANCH 21 22 ENDBRANCH 7 21 TORSDOF 5