REMARK Name = BDB019739 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.786 -0.192 -0.578 0.00 0.00 +0.040 A ATOM 2 C LIG 1 -2.071 -0.740 -0.418 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -2.880 -1.027 -1.533 0.00 0.00 +0.008 A ATOM 4 C LIG 1 -2.357 -0.776 -2.805 0.00 0.00 +0.163 A ATOM 5 F LIG 1 -3.085 -1.071 -3.892 0.00 0.00 -0.202 F ATOM 6 C LIG 1 -1.087 -0.227 -2.962 0.00 0.00 +0.159 A ATOM 7 F LIG 1 -0.612 0.018 -4.191 0.00 0.00 -0.202 F ATOM 8 C LIG 1 -0.297 0.076 -1.860 0.00 0.00 +0.054 A ENDROOT BRANCH 1 11 ATOM 9 N LIG 1 1.375 0.066 0.512 0.00 0.00 -0.307 N ATOM 10 H LIG 1 1.781 -0.400 -0.288 0.00 0.00 +0.149 HD ATOM 11 C LIG 1 0.006 0.126 0.640 0.00 0.00 +0.244 C ATOM 12 O LIG 1 -0.565 0.398 1.689 0.00 0.00 -0.270 OA BRANCH 9 13 ATOM 13 C LIG 1 2.219 0.252 1.670 0.00 0.00 +0.140 C BRANCH 13 18 ATOM 14 C LIG 1 6.369 0.474 0.446 0.00 0.00 +0.138 A ATOM 15 C LIG 1 5.514 1.577 0.295 0.00 0.00 +0.083 A ATOM 16 CL LIG 1 6.070 3.062 -0.397 0.00 0.00 -0.080 Cl ATOM 17 C LIG 1 4.176 1.507 0.699 0.00 0.00 +0.028 A ATOM 18 C LIG 1 3.665 0.333 1.265 0.00 0.00 -0.029 A ATOM 19 C LIG 1 4.514 -0.771 1.407 0.00 0.00 +0.009 A ATOM 20 C LIG 1 5.854 -0.701 1.005 0.00 0.00 +0.047 A BRANCH 14 22 ATOM 21 C LIG 1 8.558 -0.456 0.216 0.00 0.00 +0.277 C ATOM 22 O LIG 1 7.662 0.630 0.022 0.00 0.00 -0.494 OA ENDBRANCH 14 22 ENDBRANCH 13 18 ENDBRANCH 9 13 ENDBRANCH 1 11 BRANCH 3 23 ATOM 23 C LIG 1 -4.253 -1.643 -1.423 0.00 0.00 +0.142 C BRANCH 23 24 ATOM 24 N LIG 1 -4.850 -1.468 -0.111 0.00 0.00 -0.313 N ATOM 25 H LIG 1 -5.277 -2.324 0.232 0.00 0.00 +0.149 HD BRANCH 24 26 ATOM 26 C LIG 1 -5.659 -0.430 0.192 0.00 0.00 +0.176 C ATOM 27 N LIG 1 -5.322 0.804 -0.261 0.00 0.00 -0.316 N ATOM 28 H LIG 1 -4.330 0.998 -0.197 0.00 0.00 +0.149 HD ATOM 29 C LIG 1 -6.166 1.751 0.439 0.00 0.00 +0.127 C ATOM 30 C LIG 1 -7.271 0.837 0.978 0.00 0.00 +0.163 C ATOM 31 N LIG 1 -6.728 -0.550 0.923 0.00 0.00 -0.255 NA ENDBRANCH 24 26 ENDBRANCH 23 24 ENDBRANCH 3 23 TORSDOF 7