REMARK Name = BDB024648 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.079 1.005 0.776 0.00 0.00 +0.407 C ATOM 2 N LIG 1 5.023 0.102 0.967 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.349 -1.103 1.744 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.012 -0.918 3.228 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.706 -2.340 1.124 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.200 -2.194 1.067 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.774 -0.845 0.555 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.440 -0.657 0.126 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.418 -1.575 0.076 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.638 -0.930 -0.386 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -0.327 0.390 -0.658 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.998 0.583 -0.309 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.835 1.698 -0.315 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.155 1.512 0.119 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.659 0.266 0.528 0.00 0.00 +0.045 A ATOM 16 O LIG 1 7.136 0.950 1.401 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.200 1.437 -1.188 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -2.201 1.951 -0.134 0.00 0.00 +0.027 C ATOM 19 C LIG 1 -3.469 2.544 -0.759 0.00 0.00 +0.033 C ATOM 20 C LIG 1 -3.173 3.266 -2.076 0.00 0.00 +0.118 C ATOM 21 C LIG 1 -2.627 2.280 -3.123 0.00 0.00 +0.033 C ATOM 22 C LIG 1 -1.879 1.082 -2.518 0.00 0.00 +0.027 C BRANCH 20 23 ATOM 23 O LIG 1 -2.168 4.269 -1.879 0.00 0.00 -0.380 OA ATOM 24 C LIG 1 -2.676 5.477 -1.325 0.00 0.00 +0.194 C ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 26 ATOM 25 C LIG 1 6.981 2.781 -0.469 0.00 0.00 +0.282 C ATOM 26 O LIG 1 5.877 1.908 -0.225 0.00 0.00 -0.453 OA ENDBRANCH 1 26 BRANCH 10 27 ATOM 27 C LIG 1 -1.978 -1.577 -0.581 0.00 0.00 +0.093 C BRANCH 27 28 ATOM 28 C LIG 1 -2.171 -2.798 0.342 0.00 0.00 +0.135 C BRANCH 28 29 ATOM 29 C LIG 1 -3.655 -2.961 0.678 0.00 0.00 -0.033 A ATOM 30 C LIG 1 -4.610 -3.233 -0.316 0.00 0.00 +0.006 A ATOM 31 C LIG 1 -5.964 -3.346 0.008 0.00 0.00 +0.020 A ATOM 32 C LIG 1 -6.377 -3.183 1.327 0.00 0.00 +0.041 A ATOM 33 CL LIG 1 -8.045 -3.315 1.725 0.00 0.00 -0.084 Cl ATOM 34 C LIG 1 -5.446 -2.912 2.327 0.00 0.00 +0.020 A ATOM 35 C LIG 1 -4.091 -2.801 2.005 0.00 0.00 +0.006 A ENDBRANCH 28 29 BRANCH 28 36 ATOM 36 C LIG 1 -1.554 -4.056 -0.279 0.00 0.00 +0.313 C ATOM 37 O LIG 1 -2.186 -5.011 -0.710 0.00 0.00 -0.250 OA BRANCH 36 38 ATOM 38 O LIG 1 -0.201 -4.046 -0.322 0.00 0.00 -0.480 OA ATOM 39 H LIG 1 0.200 -3.187 -0.032 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 28 36 ENDBRANCH 27 28 ENDBRANCH 10 27 TORSDOF 8