REMARK Name = BDB063050 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.570 1.094 0.412 0.00 0.00 +0.073 A ATOM 2 C LIG 1 -0.115 1.956 1.412 0.00 0.00 +0.137 A ATOM 3 F LIG 1 1.138 2.437 1.394 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.949 2.354 2.457 0.00 0.00 +0.059 A ATOM 5 C LIG 1 -2.262 1.885 2.521 0.00 0.00 +0.056 A ATOM 6 CL LIG 1 -3.257 2.472 3.802 0.00 0.00 -0.083 Cl ATOM 7 C LIG 1 -2.732 1.013 1.532 0.00 0.00 +0.056 A ATOM 8 C LIG 1 -1.889 0.619 0.480 0.00 0.00 +0.030 A ENDROOT BRANCH 1 11 ATOM 9 N LIG 1 1.590 1.065 -0.748 0.00 0.00 -0.307 N ATOM 10 H LIG 1 1.962 1.569 0.049 0.00 0.00 +0.149 HD ATOM 11 C LIG 1 0.278 0.652 -0.730 0.00 0.00 +0.247 C ATOM 12 O LIG 1 -0.215 -0.053 -1.605 0.00 0.00 -0.270 OA BRANCH 9 13 ATOM 13 C LIG 1 2.532 0.565 -1.723 0.00 0.00 +0.140 C BRANCH 13 15 ATOM 14 C LIG 1 4.508 -0.357 -0.354 0.00 0.00 -0.015 A ATOM 15 C LIG 1 3.349 -0.567 -1.140 0.00 0.00 -0.025 A ATOM 16 C LIG 1 2.881 -1.882 -1.345 0.00 0.00 +0.008 A ATOM 17 C LIG 1 3.546 -2.975 -0.793 0.00 0.00 +0.038 A ATOM 18 C LIG 1 4.673 -2.762 -0.017 0.00 0.00 +0.124 A ATOM 19 F LIG 1 5.309 -3.809 0.524 0.00 0.00 -0.205 F ATOM 20 C LIG 1 5.147 -1.477 0.215 0.00 0.00 +0.044 A BRANCH 14 21 ATOM 21 C LIG 1 5.032 1.035 -0.053 0.00 0.00 +0.195 C BRANCH 21 22 ATOM 22 O LIG 1 6.389 1.041 0.390 0.00 0.00 -0.373 OA BRANCH 22 23 ATOM 23 C LIG 1 7.328 1.035 -0.692 0.00 0.00 +0.188 C BRANCH 23 24 ATOM 24 C LIG 1 8.737 0.794 -0.141 0.00 0.00 +0.187 C BRANCH 24 26 ATOM 25 C LIG 1 9.066 -1.534 -0.549 0.00 0.00 +0.194 C ATOM 26 O LIG 1 8.898 -0.512 0.423 0.00 0.00 -0.381 OA ENDBRANCH 24 26 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 14 21 ENDBRANCH 13 15 ENDBRANCH 9 13 ENDBRANCH 1 11 BRANCH 7 27 ATOM 27 C LIG 1 -4.101 0.448 1.574 0.00 0.00 +0.250 C ATOM 28 N LIG 1 -4.852 0.732 0.451 0.00 0.00 -0.281 N ATOM 29 H LIG 1 -4.515 1.502 -0.115 0.00 0.00 +0.155 HD ATOM 30 O LIG 1 -4.436 -0.171 2.572 0.00 0.00 -0.270 OA BRANCH 28 31 ATOM 31 C LIG 1 -6.174 0.315 0.169 0.00 0.00 +0.037 A ATOM 32 C LIG 1 -6.766 -0.897 0.564 0.00 0.00 -0.029 A ATOM 33 C LIG 1 -6.050 -2.012 1.274 0.00 0.00 +0.045 C ATOM 34 C LIG 1 -8.123 -1.128 0.244 0.00 0.00 +0.017 A ATOM 35 C LIG 1 -8.874 -0.218 -0.514 0.00 0.00 +0.055 A ATOM 36 C LIG 1 -8.253 0.953 -0.951 0.00 0.00 +0.014 A ATOM 37 C LIG 1 -6.920 1.208 -0.622 0.00 0.00 +0.024 A BRANCH 35 38 ATOM 38 C LIG 1 -10.324 -0.488 -0.829 0.00 0.00 +0.417 C ATOM 39 F LIG 1 -10.728 0.073 -2.004 0.00 0.00 -0.166 F ATOM 40 F LIG 1 -10.612 -1.816 -0.936 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -11.163 0.002 0.125 0.00 0.00 -0.166 F ENDBRANCH 35 38 ENDBRANCH 28 31 ENDBRANCH 7 27 TORSDOF 11