REMARK Name = BDB006493 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.410 -1.626 2.493 0.00 0.00 +0.046 C ATOM 2 C LIG 1 0.760 -1.506 1.158 0.00 0.00 -0.022 A ATOM 3 C LIG 1 1.189 -0.680 0.072 0.00 0.00 +0.004 A ATOM 4 C LIG 1 0.290 -0.862 -0.981 0.00 0.00 +0.050 A ATOM 5 C LIG 1 0.425 -0.171 -2.198 0.00 0.00 +0.027 A ATOM 6 C LIG 1 1.501 0.710 -2.346 0.00 0.00 +0.015 A ATOM 7 C LIG 1 2.425 0.895 -1.317 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -0.659 -1.775 -0.552 0.00 0.00 -0.339 N ATOM 9 C LIG 1 2.268 0.217 -0.099 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -0.376 -2.183 0.739 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -1.216 -3.165 1.484 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 3.550 1.845 -1.543 0.00 0.00 +0.245 C ATOM 13 N LIG 1 4.711 1.593 -0.843 0.00 0.00 -0.305 N ATOM 14 H LIG 1 4.816 0.699 -0.383 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 3.431 2.767 -2.342 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 5.905 2.398 -1.041 0.00 0.00 +0.100 C ATOM 17 C LIG 1 5.777 3.771 -0.374 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 7.121 1.632 -0.543 0.00 0.00 -0.026 A ATOM 19 C LIG 1 8.037 1.101 -1.467 0.00 0.00 +0.027 A ATOM 20 C LIG 1 9.154 0.375 -1.037 0.00 0.00 +0.060 A ATOM 21 CL LIG 1 10.228 -0.236 -2.244 0.00 0.00 -0.082 Cl ATOM 22 C LIG 1 9.364 0.165 0.329 0.00 0.00 +0.059 A ATOM 23 CL LIG 1 10.717 -0.721 0.935 0.00 0.00 -0.082 Cl ATOM 24 C LIG 1 8.455 0.679 1.256 0.00 0.00 +0.022 A ATOM 25 C LIG 1 7.340 1.403 0.824 0.00 0.00 +0.007 A ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 26 ATOM 26 C LIG 1 -1.767 -2.269 -1.372 0.00 0.00 +0.157 C BRANCH 26 27 ATOM 27 C LIG 1 -3.103 -1.690 -0.969 0.00 0.00 -0.028 A ATOM 28 C LIG 1 -3.302 -0.307 -0.866 0.00 0.00 +0.006 A ATOM 29 C LIG 1 -4.551 0.210 -0.506 0.00 0.00 +0.009 A ATOM 30 C LIG 1 -5.635 -0.641 -0.246 0.00 0.00 -0.017 A ATOM 31 C LIG 1 -5.438 -2.023 -0.370 0.00 0.00 +0.009 A ATOM 32 C LIG 1 -4.191 -2.542 -0.730 0.00 0.00 +0.006 A BRANCH 30 33 ATOM 33 C LIG 1 -6.948 -0.097 0.134 0.00 0.00 -0.004 A ATOM 34 C LIG 1 -7.185 0.579 1.349 0.00 0.00 +0.067 A ATOM 35 C LIG 1 -8.438 1.149 1.624 0.00 0.00 +0.015 A ATOM 36 C LIG 1 -9.481 1.026 0.708 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -9.274 0.341 -0.486 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -8.022 -0.210 -0.770 0.00 0.00 +0.009 A BRANCH 34 39 ATOM 39 C LIG 1 -6.150 0.744 2.389 0.00 0.00 +0.337 C ATOM 40 O LIG 1 -5.885 1.782 2.966 0.00 0.00 -0.245 OA BRANCH 39 41 ATOM 41 O LIG 1 -5.572 -0.423 2.716 0.00 0.00 -0.477 OA ATOM 42 H LIG 1 -4.912 -0.185 3.399 0.00 0.00 +0.295 HD ENDBRANCH 39 41 ENDBRANCH 34 39 ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 8 26 TORSDOF 8