REMARK Name = BDB032881 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.184 -0.601 -0.021 0.00 0.00 +0.046 A ATOM 2 C LIG 1 -0.876 -1.141 0.049 0.00 0.00 +0.058 A ATOM 3 C LIG 1 -0.694 -2.514 0.299 0.00 0.00 +0.015 A ATOM 4 C LIG 1 -1.792 -3.341 0.525 0.00 0.00 +0.001 A ATOM 5 C LIG 1 -3.075 -2.808 0.494 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -3.270 -1.450 0.219 0.00 0.00 +0.024 A ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 -3.278 2.920 -0.864 0.00 0.00 +0.109 C ATOM 8 C LIG 1 -3.523 1.497 -0.427 0.00 0.00 +0.214 C ATOM 9 N LIG 1 -2.354 0.769 -0.342 0.00 0.00 -0.285 N ATOM 10 H LIG 1 -1.492 1.254 -0.600 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 -4.660 1.095 -0.205 0.00 0.00 -0.276 OA ENDBRANCH 1 9 BRANCH 2 12 ATOM 12 C LIG 1 0.322 -0.262 -0.151 0.00 0.00 +0.251 C ATOM 13 N LIG 1 1.442 -0.617 0.565 0.00 0.00 -0.266 N ATOM 14 H LIG 1 1.390 -1.351 1.258 0.00 0.00 +0.157 HD ATOM 15 O LIG 1 0.220 0.721 -0.879 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 2.700 -0.013 0.558 0.00 0.00 +0.125 A ATOM 17 N LIG 1 3.555 -0.560 1.450 0.00 0.00 -0.239 NA ATOM 18 C LIG 1 4.807 -0.039 1.514 0.00 0.00 +0.132 A ATOM 19 C LIG 1 5.249 1.005 0.720 0.00 0.00 +0.059 A ATOM 20 CL LIG 1 6.848 1.608 0.859 0.00 0.00 -0.082 Cl ATOM 21 C LIG 1 4.360 1.550 -0.194 0.00 0.00 +0.025 A ATOM 22 C LIG 1 3.064 1.034 -0.280 0.00 0.00 +0.045 A ENDBRANCH 13 16 ENDBRANCH 2 12 TORSDOF 3