REMARK Name = BDB058438 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.347 -0.118 -0.569 0.00 0.00 -0.029 A ATOM 2 C LIG 1 0.076 -1.416 -1.023 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -1.148 -2.028 -0.734 0.00 0.00 +0.083 A ATOM 4 CL LIG 1 -1.411 -3.630 -1.333 0.00 0.00 -0.080 Cl ATOM 5 C LIG 1 -2.125 -1.361 0.023 0.00 0.00 +0.139 A ATOM 6 C LIG 1 -1.853 -0.066 0.472 0.00 0.00 +0.047 A ATOM 7 C LIG 1 -0.627 0.547 0.184 0.00 0.00 +0.009 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 1.675 0.533 -0.873 0.00 0.00 +0.137 C BRANCH 8 9 ATOM 9 N LIG 1 2.710 -0.106 -0.069 0.00 0.00 -0.340 N ATOM 10 H LIG 1 2.386 -0.318 0.873 0.00 0.00 +0.146 HD BRANCH 9 13 ATOM 11 C LIG 1 6.260 0.326 0.878 0.00 0.00 +0.063 A ATOM 12 C LIG 1 4.912 -0.066 0.891 0.00 0.00 +0.038 A ATOM 13 C LIG 1 4.018 0.385 -0.092 0.00 0.00 +0.031 A ATOM 14 C LIG 1 4.528 1.191 -1.114 0.00 0.00 +0.061 A ATOM 15 C LIG 1 5.864 1.596 -1.104 0.00 0.00 +0.126 A ATOM 16 F LIG 1 6.312 2.393 -2.083 0.00 0.00 -0.205 F ATOM 17 C LIG 1 6.736 1.183 -0.111 0.00 0.00 +0.053 A BRANCH 11 19 ATOM 18 O LIG 1 8.013 0.595 2.451 0.00 0.00 -0.245 OA ATOM 19 C LIG 1 7.197 -0.137 1.921 0.00 0.00 +0.337 C BRANCH 19 20 ATOM 20 O LIG 1 7.078 -1.454 2.188 0.00 0.00 -0.477 OA ATOM 21 H LIG 1 6.505 -1.948 1.571 0.00 0.00 +0.295 HD ENDBRANCH 19 20 ENDBRANCH 11 19 ENDBRANCH 9 13 ENDBRANCH 8 9 ENDBRANCH 1 8 BRANCH 5 22 ATOM 22 O LIG 1 -3.297 -2.034 0.242 0.00 0.00 -0.486 OA BRANCH 22 23 ATOM 23 C LIG 1 -4.218 -1.536 1.215 0.00 0.00 +0.264 C BRANCH 23 24 ATOM 24 C LIG 1 -5.179 -0.510 0.655 0.00 0.00 -0.010 A ATOM 25 C LIG 1 -5.699 0.490 1.492 0.00 0.00 +0.010 A ATOM 26 C LIG 1 -6.606 1.428 0.995 0.00 0.00 +0.039 A ATOM 27 C LIG 1 -7.003 1.360 -0.335 0.00 0.00 +0.123 A ATOM 28 F LIG 1 -7.873 2.260 -0.810 0.00 0.00 -0.205 F ATOM 29 C LIG 1 -6.514 0.369 -1.177 0.00 0.00 +0.039 A ATOM 30 C LIG 1 -5.608 -0.570 -0.681 0.00 0.00 +0.010 A ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 5 22 TORSDOF 8