REMARK Name = BDB032885 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.308 -0.563 -0.010 0.00 0.00 +0.046 A ATOM 2 C LIG 1 -1.022 -1.105 0.230 0.00 0.00 +0.058 A ATOM 3 C LIG 1 -0.834 -2.499 0.249 0.00 0.00 +0.015 A ATOM 4 C LIG 1 -1.901 -3.356 -0.014 0.00 0.00 +0.001 A ATOM 5 C LIG 1 -3.157 -2.828 -0.290 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -3.360 -1.444 -0.284 0.00 0.00 +0.024 A ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 -3.434 3.046 0.048 0.00 0.00 +0.109 C ATOM 8 C LIG 1 -3.636 1.571 -0.195 0.00 0.00 +0.214 C ATOM 9 N LIG 1 -2.491 0.841 0.047 0.00 0.00 -0.285 N ATOM 10 H LIG 1 -1.673 1.362 0.372 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 -4.726 1.136 -0.551 0.00 0.00 -0.276 OA ENDBRANCH 1 9 BRANCH 2 12 ATOM 12 C LIG 1 0.149 -0.203 0.471 0.00 0.00 +0.250 C ATOM 13 N LIG 1 1.353 -0.647 -0.049 0.00 0.00 -0.281 N ATOM 14 H LIG 1 1.321 -1.461 -0.650 0.00 0.00 +0.155 HD ATOM 15 O LIG 1 -0.044 0.866 1.043 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 2.615 -0.028 0.068 0.00 0.00 +0.034 A ATOM 17 C LIG 1 2.863 1.097 0.859 0.00 0.00 +0.025 A ATOM 18 C LIG 1 4.148 1.647 0.928 0.00 0.00 +0.022 A ATOM 19 C LIG 1 5.191 1.073 0.208 0.00 0.00 +0.041 A ATOM 20 CL LIG 1 6.770 1.750 0.293 0.00 0.00 -0.084 Cl ATOM 21 C LIG 1 4.961 -0.051 -0.580 0.00 0.00 +0.022 A ATOM 22 C LIG 1 3.676 -0.600 -0.647 0.00 0.00 +0.025 A ENDBRANCH 13 16 ENDBRANCH 2 12 TORSDOF 3