REMARK Name = BDB013436 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.190 1.943 -0.652 0.00 0.00 -0.013 A ATOM 2 C LIG 1 0.812 3.231 -0.254 0.00 0.00 +0.045 A ATOM 3 CL LIG 1 1.741 4.631 -0.653 0.00 0.00 -0.083 Cl ATOM 4 C LIG 1 -0.350 3.424 0.498 0.00 0.00 +0.020 A ATOM 5 C LIG 1 -1.146 2.338 0.866 0.00 0.00 +0.006 A ATOM 6 C LIG 1 -0.791 1.037 0.487 0.00 0.00 -0.039 A ATOM 7 C LIG 1 0.377 0.856 -0.271 0.00 0.00 +0.010 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 2.427 1.647 -1.472 0.00 0.00 +0.145 C BRANCH 8 10 ATOM 9 C LIG 1 4.346 1.718 0.062 0.00 0.00 +0.132 C ATOM 10 N LIG 1 3.415 0.847 -0.693 0.00 0.00 -0.175 NA BRANCH 10 11 ATOM 11 S LIG 1 4.154 -0.379 -1.621 0.00 0.00 +0.061 S ATOM 12 O LIG 1 3.106 -1.199 -2.194 0.00 0.00 -0.153 OA ATOM 13 O LIG 1 5.150 0.258 -2.457 0.00 0.00 -0.153 OA BRANCH 11 14 ATOM 14 C LIG 1 4.977 -1.367 -0.400 0.00 0.00 +0.105 A ATOM 15 C LIG 1 4.208 -2.042 0.554 0.00 0.00 +0.028 A ATOM 16 C LIG 1 4.845 -2.821 1.519 0.00 0.00 +0.002 A ATOM 17 C LIG 1 6.237 -2.925 1.525 0.00 0.00 +0.000 A ATOM 18 C LIG 1 6.999 -2.255 0.565 0.00 0.00 +0.002 A ATOM 19 C LIG 1 6.370 -1.473 -0.404 0.00 0.00 +0.028 A ENDBRANCH 11 14 ENDBRANCH 10 11 ENDBRANCH 8 10 ENDBRANCH 1 8 BRANCH 6 20 ATOM 20 C LIG 1 -1.639 -0.174 0.878 0.00 0.00 +0.060 C BRANCH 20 21 ATOM 21 C LIG 1 -3.017 -0.126 0.215 0.00 0.00 -0.037 A ATOM 22 C LIG 1 -4.162 0.360 0.877 0.00 0.00 +0.036 A ATOM 23 C LIG 1 -5.388 0.402 0.193 0.00 0.00 +0.113 A ATOM 24 N LIG 1 -6.622 0.828 0.605 0.00 0.00 -0.129 NA ATOM 25 N LIG 1 -7.469 0.675 -0.405 0.00 0.00 -0.065 NA ATOM 26 N LIG 1 -6.777 0.158 -1.437 0.00 0.00 -0.247 N ATOM 27 C LIG 1 -7.457 -0.110 -2.676 0.00 0.00 +0.175 C ATOM 28 C LIG 1 -5.458 -0.034 -1.124 0.00 0.00 +0.089 A ATOM 29 C LIG 1 -4.350 -0.519 -1.821 0.00 0.00 +0.030 A ATOM 30 C LIG 1 -3.134 -0.550 -1.125 0.00 0.00 +0.006 A ENDBRANCH 20 21 BRANCH 20 31 ATOM 31 C LIG 1 -1.625 -0.355 2.405 0.00 0.00 +0.133 C BRANCH 31 32 ATOM 32 C LIG 1 -2.260 -1.647 2.828 0.00 0.00 +0.306 C ATOM 33 O LIG 1 -3.212 -1.763 3.581 0.00 0.00 -0.251 OA BRANCH 32 34 ATOM 34 O LIG 1 -1.643 -2.734 2.331 0.00 0.00 -0.481 OA ATOM 35 H LIG 1 -2.158 -3.485 2.698 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 20 31 ENDBRANCH 6 20 TORSDOF 9