REMARK Name = BDB009419 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.576 -0.641 -0.814 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.478 -1.015 -2.151 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.303 -2.036 -2.529 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.190 -0.324 -3.126 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.024 0.736 -2.760 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.166 1.101 -1.411 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.425 0.408 -0.440 0.00 0.00 +0.020 A ENDROOT BRANCH 1 14 ATOM 8 O LIG 1 6.404 -2.559 0.914 0.00 0.00 -0.268 OA ATOM 9 C LIG 1 5.851 -1.490 0.641 0.00 0.00 +0.265 C ATOM 10 N LIG 1 4.466 -1.413 0.474 0.00 0.00 -0.293 N ATOM 11 C LIG 1 3.744 -0.263 -0.086 0.00 0.00 +0.127 C ATOM 12 C LIG 1 2.390 -0.641 -0.710 0.00 0.00 +0.127 C ATOM 13 N LIG 1 1.541 -1.422 0.197 0.00 0.00 -0.294 N ATOM 14 C LIG 1 0.152 -1.376 0.234 0.00 0.00 +0.249 C ATOM 15 O LIG 1 -0.515 -1.901 1.123 0.00 0.00 -0.270 OA ATOM 16 C LIG 1 2.228 -2.236 1.202 0.00 0.00 +0.127 C ATOM 17 C LIG 1 3.661 -2.595 0.795 0.00 0.00 +0.127 C BRANCH 9 18 ATOM 18 C LIG 1 6.721 -0.271 0.498 0.00 0.00 +0.126 A ATOM 19 N LIG 1 6.158 0.957 0.654 0.00 0.00 -0.249 NA ATOM 20 C LIG 1 6.987 2.027 0.564 0.00 0.00 +0.131 A ATOM 21 C LIG 1 8.349 1.935 0.325 0.00 0.00 +0.059 A ATOM 22 CL LIG 1 9.324 3.343 0.221 0.00 0.00 -0.082 Cl ATOM 23 C LIG 1 8.908 0.673 0.173 0.00 0.00 +0.024 A ATOM 24 C LIG 1 8.085 -0.450 0.266 0.00 0.00 +0.034 A ENDBRANCH 9 18 ENDBRANCH 1 14 BRANCH 6 25 ATOM 25 C LIG 1 -3.065 2.257 -1.033 0.00 0.00 +0.094 C BRANCH 25 26 ATOM 26 C LIG 1 -3.921 2.012 0.203 0.00 0.00 +0.087 A ATOM 27 C LIG 1 -5.052 1.023 0.130 0.00 0.00 +0.059 A ATOM 28 N LIG 1 -5.357 0.336 -1.036 0.00 0.00 -0.342 N ATOM 29 H LIG 1 -4.990 0.720 -1.900 0.00 0.00 +0.146 HD ATOM 30 C LIG 1 -6.594 -0.423 -1.162 0.00 0.00 +0.102 C ATOM 31 C LIG 1 -6.885 -1.135 0.157 0.00 0.00 +0.023 C ATOM 32 C LIG 1 -6.884 -0.151 1.334 0.00 0.00 +0.044 C ATOM 33 C LIG 1 -5.748 0.833 1.262 0.00 0.00 +0.041 A ATOM 34 C LIG 1 -5.416 1.597 2.484 0.00 0.00 +0.270 A ATOM 35 O LIG 1 -6.057 1.466 3.522 0.00 0.00 -0.266 OA ATOM 36 N LIG 1 -4.363 2.467 2.382 0.00 0.00 -0.243 N ATOM 37 H LIG 1 -4.117 2.993 3.214 0.00 0.00 +0.192 HD ATOM 38 N LIG 1 -3.610 2.687 1.271 0.00 0.00 -0.174 NA ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 4