REMARK Name = BDB000470 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.650 0.155 -2.101 0.00 0.00 +0.232 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.210 -1.293 -1.891 0.00 0.00 +0.082 C BRANCH 2 3 ATOM 3 C LIG 1 -1.169 -1.386 -1.248 0.00 0.00 +0.232 C BRANCH 3 4 ATOM 4 O LIG 1 -2.116 -0.716 -2.076 0.00 0.00 -0.492 OA BRANCH 4 9 ATOM 5 C LIG 1 -7.415 -0.083 -0.237 0.00 0.00 +0.030 C ATOM 6 C LIG 1 -6.040 -0.180 -0.849 0.00 0.00 -0.040 A ATOM 7 C LIG 1 -5.219 -1.038 -0.108 0.00 0.00 -0.040 A ATOM 8 C LIG 1 -3.893 -1.252 -0.460 0.00 0.00 +0.049 A ATOM 9 C LIG 1 -3.393 -0.606 -1.593 0.00 0.00 +0.121 A ATOM 10 C LIG 1 -4.230 0.233 -2.348 0.00 0.00 +0.046 A ATOM 11 C LIG 1 -5.960 -1.612 1.058 0.00 0.00 +0.036 C ATOM 12 C LIG 1 -5.559 0.456 -1.978 0.00 0.00 +0.008 A ATOM 13 C LIG 1 -7.413 -1.366 0.627 0.00 0.00 +0.013 C BRANCH 5 14 ATOM 14 C LIG 1 -7.586 1.173 0.623 0.00 0.00 +0.128 C BRANCH 14 16 ATOM 15 O LIG 1 -8.218 2.459 -1.365 0.00 0.00 -0.251 OA ATOM 16 C LIG 1 -7.859 2.402 -0.202 0.00 0.00 +0.305 C BRANCH 16 17 ATOM 17 O LIG 1 -7.707 3.531 0.522 0.00 0.00 -0.481 OA ATOM 18 H LIG 1 -7.919 4.250 -0.110 0.00 0.00 +0.295 HD ENDBRANCH 16 17 ENDBRANCH 14 16 ENDBRANCH 5 14 ENDBRANCH 4 9 ENDBRANCH 3 4 ENDBRANCH 2 3 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 O LIG 1 1.989 0.203 -2.602 0.00 0.00 -0.492 OA BRANCH 19 20 ATOM 20 C LIG 1 3.026 0.205 -1.713 0.00 0.00 +0.121 A ATOM 21 C LIG 1 2.933 0.127 -0.327 0.00 0.00 +0.046 A ATOM 22 C LIG 1 4.095 0.137 0.460 0.00 0.00 +0.013 A ATOM 23 C LIG 1 5.379 0.225 -0.109 0.00 0.00 +0.001 A ATOM 24 C LIG 1 5.449 0.290 -1.511 0.00 0.00 +0.013 A ATOM 25 C LIG 1 4.290 0.282 -2.298 0.00 0.00 +0.046 A BRANCH 23 26 ATOM 26 C LIG 1 6.585 0.236 0.748 0.00 0.00 +0.071 A ATOM 27 N LIG 1 6.468 -0.399 1.944 0.00 0.00 -0.254 NA ATOM 28 C LIG 1 7.542 -0.426 2.767 0.00 0.00 +0.123 A ATOM 29 C LIG 1 8.762 0.158 2.470 0.00 0.00 +0.073 A ATOM 30 C LIG 1 8.869 0.824 1.249 0.00 0.00 +0.016 A ATOM 31 C LIG 1 7.776 0.864 0.382 0.00 0.00 +0.029 A BRANCH 29 32 ATOM 32 C LIG 1 9.887 0.095 3.455 0.00 0.00 +0.419 C ATOM 33 F LIG 1 9.932 -1.082 4.138 0.00 0.00 -0.166 F ATOM 34 F LIG 1 11.113 0.234 2.877 0.00 0.00 -0.166 F ATOM 35 F LIG 1 9.805 1.072 4.399 0.00 0.00 -0.166 F ENDBRANCH 29 32 ENDBRANCH 23 26 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 11