REMARK Name = BDB059293 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.736 -0.778 0.181 0.00 0.00 +0.259 C ATOM 2 N LIG 1 0.477 -0.429 -0.392 0.00 0.00 -0.228 N ATOM 3 H LIG 1 0.564 0.499 -0.813 0.00 0.00 +0.171 HD ATOM 4 O LIG 1 -0.807 -1.564 1.123 0.00 0.00 -0.269 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 -4.266 0.559 -0.035 0.00 0.00 -0.047 A ATOM 6 C LIG 1 -3.095 -0.057 0.432 0.00 0.00 +0.016 A ATOM 7 C LIG 1 -1.949 -0.117 -0.372 0.00 0.00 +0.038 A ATOM 8 C LIG 1 -1.981 0.419 -1.665 0.00 0.00 +0.013 A ATOM 9 C LIG 1 -3.146 1.026 -2.139 0.00 0.00 +0.001 A ATOM 10 C LIG 1 -4.280 1.097 -1.328 0.00 0.00 +0.003 A BRANCH 5 12 ATOM 11 C LIG 1 -6.375 -0.616 0.641 0.00 0.00 +0.009 C ATOM 12 C LIG 1 -5.498 0.612 0.831 0.00 0.00 +0.032 C ENDBRANCH 5 12 ENDBRANCH 1 7 BRANCH 2 13 ATOM 13 N LIG 1 1.723 -0.849 0.427 0.00 0.00 -0.108 NA ATOM 14 H LIG 1 1.424 -1.408 1.245 0.00 0.00 +0.172 HD BRANCH 13 15 ATOM 15 S LIG 1 2.632 0.490 1.009 0.00 0.00 +0.076 S ATOM 16 O LIG 1 2.446 0.485 2.442 0.00 0.00 -0.152 OA ATOM 17 O LIG 1 2.271 1.617 0.171 0.00 0.00 -0.152 OA BRANCH 15 18 ATOM 18 C LIG 1 4.292 0.050 0.646 0.00 0.00 +0.142 A ATOM 19 C LIG 1 5.303 0.773 1.267 0.00 0.00 +0.150 A ATOM 20 F LIG 1 5.021 1.789 2.093 0.00 0.00 -0.203 F ATOM 21 C LIG 1 6.639 0.461 1.028 0.00 0.00 +0.040 A ATOM 22 C LIG 1 6.963 -0.581 0.159 0.00 0.00 +0.003 A ATOM 23 C LIG 1 5.949 -1.306 -0.470 0.00 0.00 +0.002 A ATOM 24 C LIG 1 4.609 -0.993 -0.230 0.00 0.00 +0.031 A ENDBRANCH 15 18 ENDBRANCH 13 15 ENDBRANCH 2 13 TORSDOF 5