REMARK Name = BDB053580 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.565 -0.256 -0.743 0.00 0.00 +0.035 A ATOM 2 C LIG 1 -1.308 0.552 -1.859 0.00 0.00 +0.047 A ATOM 3 C LIG 1 -0.021 0.634 -2.397 0.00 0.00 +0.085 A ATOM 4 CL LIG 1 0.235 1.644 -3.774 0.00 0.00 -0.080 Cl ATOM 5 C LIG 1 1.028 -0.081 -1.816 0.00 0.00 +0.147 A ATOM 6 C LIG 1 0.775 -0.905 -0.717 0.00 0.00 +0.049 A ATOM 7 C LIG 1 -0.515 -0.985 -0.180 0.00 0.00 +0.027 A ENDROOT BRANCH 1 9 ATOM 8 C LIG 1 -3.371 -0.937 0.853 0.00 0.00 +0.249 C ATOM 9 N LIG 1 -2.893 -0.283 -0.265 0.00 0.00 -0.281 N ATOM 10 H LIG 1 -3.547 0.295 -0.795 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 -2.713 -1.621 1.631 0.00 0.00 -0.270 OA BRANCH 8 13 ATOM 12 C LIG 1 -5.592 0.339 1.022 0.00 0.00 +0.071 A ATOM 13 C LIG 1 -4.833 -0.833 1.127 0.00 0.00 +0.051 A ATOM 14 C LIG 1 -5.464 -1.996 1.601 0.00 0.00 +0.014 A ATOM 15 C LIG 1 -6.822 -1.993 1.930 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -7.571 -0.826 1.799 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -6.959 0.342 1.347 0.00 0.00 +0.016 A BRANCH 12 19 ATOM 18 O LIG 1 -4.602 1.749 -0.579 0.00 0.00 -0.245 OA ATOM 19 C LIG 1 -5.014 1.605 0.559 0.00 0.00 +0.338 C BRANCH 19 20 ATOM 20 O LIG 1 -4.998 2.551 1.515 0.00 0.00 -0.477 OA ATOM 21 H LIG 1 -5.290 2.252 2.399 0.00 0.00 +0.295 HD ENDBRANCH 19 20 ENDBRANCH 12 19 ENDBRANCH 8 13 ENDBRANCH 1 9 BRANCH 5 22 ATOM 22 O LIG 1 2.282 -0.020 -2.382 0.00 0.00 -0.455 OA BRANCH 22 23 ATOM 23 C LIG 1 3.330 0.303 -1.548 0.00 0.00 +0.129 A ATOM 24 C LIG 1 4.502 -0.439 -1.694 0.00 0.00 +0.054 A ATOM 25 C LIG 1 5.628 -0.160 -0.903 0.00 0.00 -0.014 A ATOM 26 C LIG 1 5.569 0.897 0.036 0.00 0.00 -0.018 A ATOM 27 C LIG 1 6.695 1.175 0.827 0.00 0.00 +0.008 A ATOM 28 C LIG 1 7.863 0.422 0.695 0.00 0.00 +0.001 A ATOM 29 C LIG 1 7.921 -0.616 -0.230 0.00 0.00 +0.001 A ATOM 30 C LIG 1 4.388 1.649 0.153 0.00 0.00 +0.012 A ATOM 31 C LIG 1 6.811 -0.905 -1.025 0.00 0.00 +0.008 A ATOM 32 C LIG 1 3.276 1.360 -0.640 0.00 0.00 +0.047 A ENDBRANCH 22 23 ENDBRANCH 5 22 TORSDOF 6