REMARK Name = BDB011432 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.838 -1.131 -0.600 0.00 0.00 +0.057 A ATOM 2 N LIG 1 1.012 -0.777 0.470 0.00 0.00 -0.338 N ATOM 3 C LIG 1 -0.275 -0.896 0.030 0.00 0.00 +0.057 A ATOM 4 C LIG 1 -1.631 -0.648 0.576 0.00 0.00 +0.159 C ATOM 5 N LIG 1 -2.466 -1.121 -0.581 0.00 0.00 -0.253 N ATOM 6 C LIG 1 -1.653 -1.520 -1.686 0.00 0.00 +0.254 C ATOM 7 O LIG 1 -1.975 -1.939 -2.785 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -0.295 -1.367 -1.245 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.022 -1.524 -1.665 0.00 0.00 +0.041 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.862 -1.190 -0.554 0.00 0.00 +0.055 A ATOM 11 C LIG 1 -4.614 -1.431 -1.647 0.00 0.00 +0.112 A ATOM 12 N LIG 1 -6.001 -1.478 -1.619 0.00 0.00 -0.315 N ATOM 13 C LIG 1 -6.705 -1.727 -2.869 0.00 0.00 +0.152 C ATOM 14 C LIG 1 -6.739 -1.268 -0.453 0.00 0.00 +0.270 A ATOM 15 O LIG 1 -7.966 -1.278 -0.406 0.00 0.00 -0.266 OA ATOM 16 C LIG 1 -5.915 -1.028 0.772 0.00 0.00 +0.107 A ATOM 17 CL LIG 1 -6.726 -0.807 2.276 0.00 0.00 -0.078 Cl ATOM 18 C LIG 1 -4.577 -1.001 0.700 0.00 0.00 +0.050 A ENDBRANCH 5 10 BRANCH 4 19 ATOM 19 C LIG 1 -1.853 0.819 0.920 0.00 0.00 -0.018 A ATOM 20 C LIG 1 -1.843 1.817 -0.070 0.00 0.00 +0.045 A ATOM 21 C LIG 1 -2.030 3.156 0.272 0.00 0.00 +0.141 A ATOM 22 F LIG 1 -2.009 4.076 -0.702 0.00 0.00 -0.204 F ATOM 23 C LIG 1 -2.231 3.534 1.595 0.00 0.00 +0.087 A ATOM 24 C LIG 1 -2.242 2.552 2.592 0.00 0.00 +0.022 A ATOM 25 C LIG 1 -2.053 1.207 2.257 0.00 0.00 +0.007 A BRANCH 23 26 ATOM 26 C LIG 1 -2.416 4.910 1.934 0.00 0.00 +0.102 C ATOM 27 N LIG 1 -2.563 6.018 2.249 0.00 0.00 -0.191 NA ENDBRANCH 23 26 ENDBRANCH 4 19 BRANCH 1 31 ATOM 28 C LIG 1 6.007 -1.090 -0.653 0.00 0.00 +0.321 A ATOM 29 N LIG 1 5.393 0.077 -0.894 0.00 0.00 -0.159 NA ATOM 30 C LIG 1 4.045 0.047 -0.878 0.00 0.00 +0.230 A ATOM 31 C LIG 1 3.298 -1.089 -0.604 0.00 0.00 +0.078 A ATOM 32 C LIG 1 4.048 -2.228 -0.397 0.00 0.00 +0.131 A ATOM 33 N LIG 1 5.396 -2.255 -0.401 0.00 0.00 -0.202 NA BRANCH 28 35 ATOM 34 C LIG 1 8.002 0.082 -0.972 0.00 0.00 +0.280 C ATOM 35 O LIG 1 7.383 -1.153 -0.641 0.00 0.00 -0.466 OA ENDBRANCH 28 35 BRANCH 30 36 ATOM 36 O LIG 1 3.349 1.217 -1.138 0.00 0.00 -0.479 OA ATOM 37 C LIG 1 4.186 2.314 -1.487 0.00 0.00 +0.279 C ENDBRANCH 30 36 ENDBRANCH 1 31 BRANCH 2 38 ATOM 38 C LIG 1 1.381 -0.372 1.827 0.00 0.00 +0.081 C ATOM 39 C LIG 1 1.915 1.056 1.898 0.00 0.00 +0.030 C ATOM 40 C LIG 1 2.300 -1.362 2.544 0.00 0.00 +0.030 C ENDBRANCH 2 38 TORSDOF 7