REMARK Name = BDB063467 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.206 -0.992 0.371 0.00 0.00 +0.028 C ATOM 2 C LIG 1 0.152 0.271 -0.462 0.00 0.00 +0.041 C ATOM 3 C LIG 1 1.629 0.316 -0.860 0.00 0.00 +0.109 C ATOM 4 N LIG 1 2.484 0.257 0.339 0.00 0.00 -0.309 N ATOM 5 C LIG 1 2.229 -0.915 1.190 0.00 0.00 +0.109 C ATOM 6 C LIG 1 0.751 -0.967 1.593 0.00 0.00 +0.041 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 3.783 0.669 0.151 0.00 0.00 +0.162 A ATOM 8 S LIG 1 5.009 0.558 1.374 0.00 0.00 -0.052 S ATOM 9 C LIG 1 6.162 1.278 0.328 0.00 0.00 +0.041 A ATOM 10 C LIG 1 5.543 1.574 -0.882 0.00 0.00 +0.080 A ATOM 11 C LIG 1 6.303 2.184 -1.900 0.00 0.00 +0.029 A ATOM 12 C LIG 1 7.655 2.475 -1.682 0.00 0.00 +0.014 A ATOM 13 C LIG 1 8.271 2.165 -0.464 0.00 0.00 +0.056 A ATOM 14 C LIG 1 7.518 1.566 0.563 0.00 0.00 +0.029 A ATOM 15 N LIG 1 4.207 1.234 -0.961 0.00 0.00 -0.225 NA BRANCH 13 16 ATOM 16 C LIG 1 9.725 2.505 -0.232 0.00 0.00 +0.417 C ATOM 17 F LIG 1 10.348 1.635 0.610 0.00 0.00 -0.166 F ATOM 18 F LIG 1 9.885 3.740 0.318 0.00 0.00 -0.166 F ATOM 19 F LIG 1 10.463 2.506 -1.377 0.00 0.00 -0.166 F ENDBRANCH 13 16 ENDBRANCH 4 7 BRANCH 1 20 ATOM 20 N LIG 1 0.047 -2.211 -0.449 0.00 0.00 -0.296 NA ATOM 21 C LIG 1 -0.038 -3.508 0.227 0.00 0.00 +0.085 C ATOM 22 C LIG 1 -0.001 -4.527 -0.908 0.00 0.00 +0.017 C ATOM 23 C LIG 1 -0.281 -3.731 -2.174 0.00 0.00 +0.017 C ATOM 24 C LIG 1 -0.731 -2.367 -1.680 0.00 0.00 +0.085 C ENDBRANCH 1 20 BRANCH 1 25 ATOM 25 C LIG 1 -1.698 -0.911 0.830 0.00 0.00 +0.063 C BRANCH 25 26 ATOM 26 C LIG 1 -2.064 0.229 1.790 0.00 0.00 +0.231 C BRANCH 26 27 ATOM 27 O LIG 1 -3.470 0.217 2.063 0.00 0.00 -0.492 OA BRANCH 27 30 ATOM 28 C LIG 1 -6.665 1.398 0.791 0.00 0.00 -0.032 A ATOM 29 C LIG 1 -5.667 0.789 1.567 0.00 0.00 +0.050 A ATOM 30 C LIG 1 -4.316 0.864 1.206 0.00 0.00 +0.122 A ATOM 31 C LIG 1 -3.957 1.553 0.050 0.00 0.00 +0.065 A ATOM 32 C LIG 1 -4.944 2.153 -0.733 0.00 0.00 +0.045 A ATOM 33 CL LIG 1 -4.494 2.997 -2.166 0.00 0.00 -0.083 Cl ATOM 34 C LIG 1 -6.289 2.079 -0.373 0.00 0.00 +0.024 A BRANCH 28 35 ATOM 35 C LIG 1 -8.117 1.293 1.187 0.00 0.00 +0.155 C BRANCH 35 37 ATOM 36 O LIG 1 -8.412 -0.606 -0.320 0.00 0.00 -0.251 OA ATOM 37 C LIG 1 -8.863 0.154 0.521 0.00 0.00 +0.309 C BRANCH 37 38 ATOM 38 O LIG 1 -10.146 0.057 0.955 0.00 0.00 -0.480 OA ATOM 39 H LIG 1 -10.396 0.719 1.626 0.00 0.00 +0.295 HD ENDBRANCH 37 38 ENDBRANCH 35 37 ENDBRANCH 28 35 ENDBRANCH 27 30 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 1 25 TORSDOF 10