REMARK Name = BDB063609 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.337 -1.604 -1.972 0.00 0.00 +0.047 C ATOM 2 C LIG 1 -2.377 -0.459 -1.788 0.00 0.00 -0.008 A ATOM 3 C LIG 1 -2.714 0.689 -1.048 0.00 0.00 +0.128 A ATOM 4 C LIG 1 -1.817 1.763 -0.940 0.00 0.00 -0.008 A ATOM 5 C LIG 1 -2.165 3.037 -0.222 0.00 0.00 +0.047 C ATOM 6 C LIG 1 -0.527 1.628 -1.480 0.00 0.00 +0.012 A ATOM 7 C LIG 1 -0.153 0.473 -2.182 0.00 0.00 -0.029 A ATOM 8 C LIG 1 -1.087 -0.563 -2.330 0.00 0.00 +0.012 A ENDROOT BRANCH 3 9 ATOM 9 O LIG 1 -3.973 0.786 -0.520 0.00 0.00 -0.475 OA BRANCH 9 10 ATOM 10 C LIG 1 -4.150 0.404 0.866 0.00 0.00 +0.200 C ATOM 11 C LIG 1 -5.317 -0.602 0.890 0.00 0.00 +0.067 C ATOM 12 C LIG 1 -2.949 -0.249 1.576 0.00 0.00 +0.067 C BRANCH 10 13 ATOM 13 C LIG 1 -4.653 1.651 1.613 0.00 0.00 +0.348 C ATOM 14 O LIG 1 -5.702 2.249 1.406 0.00 0.00 -0.247 OA BRANCH 13 15 ATOM 15 O LIG 1 -3.841 2.092 2.596 0.00 0.00 -0.478 OA ATOM 16 H LIG 1 -4.310 2.881 2.946 0.00 0.00 +0.295 HD ENDBRANCH 13 15 ENDBRANCH 10 13 ENDBRANCH 9 10 ENDBRANCH 3 9 BRANCH 7 17 ATOM 17 C LIG 1 1.238 0.343 -2.757 0.00 0.00 +0.153 C BRANCH 17 18 ATOM 18 N LIG 1 2.119 -0.386 -1.874 0.00 0.00 -0.220 N ATOM 19 C LIG 1 2.893 0.195 -0.903 0.00 0.00 +0.316 C ATOM 20 O LIG 1 2.937 1.398 -0.690 0.00 0.00 -0.252 OA ATOM 21 N LIG 1 3.601 -0.826 -0.243 0.00 0.00 -0.246 N ATOM 22 C LIG 1 3.267 -2.115 -0.805 0.00 0.00 +0.211 C ATOM 23 C LIG 1 2.271 -1.736 -1.877 0.00 0.00 +0.241 C ATOM 24 O LIG 1 1.713 -2.539 -2.614 0.00 0.00 -0.273 OA BRANCH 21 25 ATOM 25 C LIG 1 4.532 -0.680 0.822 0.00 0.00 +0.038 A ATOM 26 C LIG 1 5.196 -1.806 1.343 0.00 0.00 +0.026 A ATOM 27 C LIG 1 6.129 -1.684 2.381 0.00 0.00 +0.040 A ATOM 28 C LIG 1 6.400 -0.435 2.917 0.00 0.00 +0.124 A ATOM 29 F LIG 1 7.303 -0.310 3.899 0.00 0.00 -0.205 F ATOM 30 C LIG 1 5.756 0.692 2.432 0.00 0.00 +0.040 A ATOM 31 C LIG 1 4.828 0.569 1.389 0.00 0.00 +0.026 A ENDBRANCH 21 25 ENDBRANCH 17 18 ENDBRANCH 7 17 TORSDOF 7