REMARK Name = BDB008052 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.134 0.485 -0.184 0.00 0.00 +0.195 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 -1.557 -1.468 -0.483 0.00 0.00 +0.131 A ATOM 3 C LIG 1 -1.224 -0.184 -0.040 0.00 0.00 +0.021 A ATOM 4 C LIG 1 -2.419 0.369 0.557 0.00 0.00 +0.006 A ATOM 5 C LIG 1 -3.405 -0.615 0.515 0.00 0.00 +0.049 A ATOM 6 C LIG 1 -4.698 -0.432 1.024 0.00 0.00 +0.046 A ATOM 7 C LIG 1 -4.995 0.807 1.595 0.00 0.00 +0.043 A ATOM 8 C LIG 1 -4.045 1.818 1.656 0.00 0.00 +0.021 A ATOM 9 CL LIG 1 -6.571 1.083 2.233 0.00 0.00 -0.083 Cl ATOM 10 C LIG 1 -2.757 1.611 1.143 0.00 0.00 +0.012 A ATOM 11 N LIG 1 -2.854 -1.710 -0.096 0.00 0.00 -0.349 N ATOM 12 H LIG 1 -3.341 -2.577 -0.280 0.00 0.00 +0.166 HD BRANCH 2 13 ATOM 13 C LIG 1 -0.774 -2.429 -1.228 0.00 0.00 +0.356 C ATOM 14 O LIG 1 0.310 -2.220 -1.753 0.00 0.00 -0.243 OA BRANCH 13 15 ATOM 15 O LIG 1 -1.446 -3.616 -1.281 0.00 0.00 -0.460 OA BRANCH 15 17 ATOM 16 C LIG 1 -1.611 -5.894 -1.977 0.00 0.00 +0.048 C ATOM 17 C LIG 1 -0.758 -4.641 -2.008 0.00 0.00 +0.229 C ENDBRANCH 15 17 ENDBRANCH 13 15 ENDBRANCH 2 13 ENDBRANCH 1 3 BRANCH 1 18 ATOM 18 C LIG 1 0.037 2.002 -0.534 0.00 0.00 +0.239 C ATOM 19 N LIG 1 0.740 2.850 0.305 0.00 0.00 -0.309 N ATOM 20 H LIG 1 1.341 2.412 0.994 0.00 0.00 +0.149 HD ATOM 21 O LIG 1 -0.621 2.409 -1.490 0.00 0.00 -0.273 OA BRANCH 19 22 ATOM 22 C LIG 1 0.875 4.304 0.128 0.00 0.00 +0.026 C ATOM 23 C LIG 1 1.726 4.845 1.292 0.00 0.00 +0.031 C ATOM 24 C LIG 1 1.592 4.627 -1.191 0.00 0.00 +0.031 C ATOM 25 C LIG 1 -0.494 5.001 0.172 0.00 0.00 +0.031 C ENDBRANCH 19 22 ENDBRANCH 1 18 BRANCH 1 26 ATOM 26 N LIG 1 1.008 0.183 0.976 0.00 0.00 -0.284 N ATOM 27 C LIG 1 0.599 0.375 2.282 0.00 0.00 +0.329 C ATOM 28 O LIG 1 1.341 0.419 3.256 0.00 0.00 -0.279 OA BRANCH 26 29 ATOM 29 C LIG 1 2.429 -0.057 0.720 0.00 0.00 +0.149 C BRANCH 29 30 ATOM 30 C LIG 1 2.739 -1.430 0.201 0.00 0.00 +0.040 A ATOM 31 C LIG 1 2.384 -2.584 0.900 0.00 0.00 +0.131 A ATOM 32 F LIG 1 1.708 -2.494 2.054 0.00 0.00 -0.205 F ATOM 33 C LIG 1 2.719 -3.855 0.432 0.00 0.00 +0.039 A ATOM 34 C LIG 1 3.428 -3.993 -0.759 0.00 0.00 +0.006 A ATOM 35 C LIG 1 3.799 -2.853 -1.471 0.00 0.00 +0.039 A ATOM 36 C LIG 1 3.457 -1.591 -0.986 0.00 0.00 +0.131 A ATOM 37 F LIG 1 3.844 -0.512 -1.683 0.00 0.00 -0.205 F ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 1 26 TORSDOF 9