REMARK Name = BDB023650 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.570 -1.165 -0.855 0.00 0.00 -0.012 A ATOM 2 C LIG 1 0.945 -0.055 -1.465 0.00 0.00 +0.020 A ATOM 3 C LIG 1 -0.420 0.129 -1.302 0.00 0.00 +0.048 A ATOM 4 C LIG 1 -1.271 1.161 -1.888 0.00 0.00 +0.250 C ATOM 5 N LIG 1 -2.566 0.872 -1.514 0.00 0.00 -0.254 N ATOM 6 C LIG 1 -2.660 -0.263 -0.585 0.00 0.00 +0.195 C ATOM 7 O LIG 1 -0.866 2.068 -2.590 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -1.222 -0.726 -0.561 0.00 0.00 +0.054 A ATOM 9 C LIG 1 -0.634 -1.837 0.002 0.00 0.00 +0.132 A ATOM 10 F LIG 1 -1.367 -2.729 0.680 0.00 0.00 -0.205 F ATOM 11 C LIG 1 0.743 -2.058 -0.136 0.00 0.00 +0.045 A ENDROOT BRANCH 6 12 ATOM 12 C LIG 1 -3.642 -1.296 -1.163 0.00 0.00 +0.007 A ATOM 13 C LIG 1 -3.344 -1.985 -2.359 0.00 0.00 +0.010 A ATOM 14 C LIG 1 -4.240 -2.911 -2.903 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -5.454 -3.156 -2.268 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 -6.556 -4.296 -2.936 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 -5.782 -2.478 -1.099 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -4.887 -1.552 -0.555 0.00 0.00 +0.010 A ENDBRANCH 6 12 BRANCH 1 19 ATOM 19 C LIG 1 3.087 -1.365 -1.030 0.00 0.00 +0.094 C BRANCH 19 20 ATOM 20 C LIG 1 3.890 -0.131 -0.479 0.00 0.00 +0.028 C ATOM 21 C LIG 1 5.415 -0.169 -0.744 0.00 0.00 +0.022 C ATOM 22 C LIG 1 6.259 0.049 0.511 0.00 0.00 +0.084 C ATOM 23 N LIG 1 5.882 1.211 1.315 0.00 0.00 -0.305 NA ATOM 24 C LIG 1 6.614 2.415 0.931 0.00 0.00 +0.104 C ATOM 25 C LIG 1 4.439 1.467 1.378 0.00 0.00 +0.084 C ATOM 26 C LIG 1 3.590 0.257 0.982 0.00 0.00 +0.022 C ENDBRANCH 19 20 BRANCH 19 28 ATOM 27 C LIG 1 3.838 -3.055 0.862 0.00 0.00 +0.007 C ATOM 28 C LIG 1 3.620 -2.768 -0.616 0.00 0.00 +0.036 C ENDBRANCH 19 28 BRANCH 19 29 ATOM 29 O LIG 1 3.239 -1.347 -2.471 0.00 0.00 -0.384 OA ATOM 30 H LIG 1 4.179 -1.461 -2.686 0.00 0.00 +0.211 HD ENDBRANCH 19 29 ENDBRANCH 1 19 BRANCH 6 31 ATOM 31 O LIG 1 -3.114 0.302 0.642 0.00 0.00 -0.345 OA BRANCH 31 32 ATOM 32 C LIG 1 -2.805 -0.377 1.855 0.00 0.00 +0.191 C BRANCH 32 33 ATOM 33 C LIG 1 -3.632 0.243 2.980 0.00 0.00 +0.184 C BRANCH 33 34 ATOM 34 O LIG 1 -4.989 -0.195 2.882 0.00 0.00 -0.393 OA ATOM 35 H LIG 1 -5.499 0.322 3.529 0.00 0.00 +0.209 HD ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 6 31 BRANCH 5 36 ATOM 36 C LIG 1 -3.643 1.837 -1.693 0.00 0.00 +0.187 C BRANCH 36 37 ATOM 37 C LIG 1 -3.799 2.847 -0.565 0.00 0.00 +0.146 A ATOM 38 N LIG 1 -5.058 3.206 -0.222 0.00 0.00 -0.237 NA ATOM 39 C LIG 1 -5.180 4.107 0.779 0.00 0.00 +0.134 A ATOM 40 C LIG 1 -4.109 4.665 1.440 0.00 0.00 +0.077 A ATOM 41 CL LIG 1 -4.308 5.793 2.708 0.00 0.00 -0.080 Cl ATOM 42 C LIG 1 -2.872 4.238 1.023 0.00 0.00 +0.134 A ATOM 43 N LIG 1 -2.688 3.341 0.030 0.00 0.00 -0.237 NA ENDBRANCH 36 37 ENDBRANCH 5 36 TORSDOF 11