REMARK Name = BDB062453 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.897 1.320 -1.366 0.00 0.00 +0.073 A ATOM 2 C LIG 1 -0.621 1.689 -0.941 0.00 0.00 +0.143 A ATOM 3 F LIG 1 -0.471 2.305 0.244 0.00 0.00 -0.204 F ATOM 4 C LIG 1 0.509 1.406 -1.724 0.00 0.00 +0.018 A ATOM 5 C LIG 1 0.307 0.759 -2.959 0.00 0.00 +0.011 A ATOM 6 C LIG 1 -0.975 0.411 -3.396 0.00 0.00 +0.002 A ATOM 7 C LIG 1 -2.083 0.696 -2.602 0.00 0.00 +0.016 A ENDROOT BRANCH 1 10 ATOM 8 C LIG 1 -4.390 1.419 1.510 0.00 0.00 +0.076 C ATOM 9 N LIG 1 -3.293 0.954 0.650 0.00 0.00 -0.294 N ATOM 10 C LIG 1 -3.079 1.640 -0.552 0.00 0.00 +0.250 C ATOM 11 O LIG 1 -3.846 2.485 -1.008 0.00 0.00 -0.270 OA ATOM 12 C LIG 1 -2.334 0.002 1.220 0.00 0.00 +0.108 C ATOM 13 C LIG 1 -3.000 -1.044 2.103 0.00 0.00 +0.019 C ATOM 14 C LIG 1 -3.826 -0.431 3.227 0.00 0.00 +0.003 C ATOM 15 C LIG 1 -4.189 1.030 2.985 0.00 0.00 +0.022 C BRANCH 8 16 ATOM 16 C LIG 1 -5.810 1.112 0.974 0.00 0.00 +0.022 C BRANCH 16 18 ATOM 17 C LIG 1 -5.648 -0.869 -0.644 0.00 0.00 +0.004 C ATOM 18 C LIG 1 -6.196 -0.338 0.672 0.00 0.00 -0.002 C ENDBRANCH 16 18 ENDBRANCH 8 16 ENDBRANCH 1 10 BRANCH 4 19 ATOM 19 C LIG 1 1.866 1.768 -1.279 0.00 0.00 -0.013 A ATOM 20 C LIG 1 2.885 0.797 -1.208 0.00 0.00 +0.036 A ATOM 21 C LIG 1 4.178 1.127 -0.781 0.00 0.00 +0.066 A ATOM 22 C LIG 1 4.469 2.462 -0.463 0.00 0.00 +0.028 A ATOM 23 C LIG 1 3.473 3.436 -0.527 0.00 0.00 +0.003 A ATOM 24 C LIG 1 2.182 3.089 -0.925 0.00 0.00 +0.009 A BRANCH 21 25 ATOM 25 N LIG 1 5.217 0.153 -0.698 0.00 0.00 -0.236 N ATOM 26 C LIG 1 5.147 -1.236 -0.689 0.00 0.00 +0.062 A ATOM 27 C LIG 1 6.442 -1.707 -0.844 0.00 0.00 +0.100 A ATOM 28 C LIG 1 7.230 -0.545 -0.758 0.00 0.00 +0.150 A ATOM 29 N LIG 1 6.512 0.566 -0.619 0.00 0.00 -0.174 NA BRANCH 26 30 ATOM 30 C LIG 1 3.891 -2.141 -0.491 0.00 0.00 +0.039 C ATOM 31 C LIG 1 3.866 -3.093 0.683 0.00 0.00 +0.010 C ATOM 32 C LIG 1 2.971 -1.895 0.681 0.00 0.00 +0.010 C ENDBRANCH 26 30 BRANCH 27 33 ATOM 33 C LIG 1 6.944 -3.050 -1.010 0.00 0.00 +0.340 C ATOM 34 O LIG 1 8.123 -3.368 -0.935 0.00 0.00 -0.245 OA BRANCH 33 35 ATOM 35 O LIG 1 6.020 -3.987 -1.310 0.00 0.00 -0.477 OA ATOM 36 H LIG 1 6.553 -4.804 -1.395 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 27 33 ENDBRANCH 21 25 ENDBRANCH 4 19 TORSDOF 8