REMARK Name = BDB019915 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.031 1.089 0.724 0.00 0.00 -0.017 A ATOM 2 C LIG 1 0.327 1.171 1.067 0.00 0.00 +0.021 A ATOM 3 C LIG 1 1.016 0.058 1.567 0.00 0.00 +0.038 A ATOM 4 C LIG 1 0.343 -1.155 1.756 0.00 0.00 +0.018 A ATOM 5 C LIG 1 -1.014 -1.272 1.421 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -1.683 -0.143 0.911 0.00 0.00 +0.014 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -1.930 4.114 -1.334 0.00 0.00 +0.215 A ATOM 8 N LIG 1 -3.135 4.488 -0.859 0.00 0.00 -0.221 NA ATOM 9 C LIG 1 -3.643 3.740 0.140 0.00 0.00 +0.115 A ATOM 10 C LIG 1 -3.003 2.636 0.684 0.00 0.00 +0.028 A ATOM 11 C LIG 1 -1.752 2.256 0.183 0.00 0.00 -0.011 A ATOM 12 C LIG 1 -1.214 3.026 -0.855 0.00 0.00 +0.075 A BRANCH 7 14 ATOM 13 C LIG 1 -2.124 5.932 -2.792 0.00 0.00 +0.279 C ATOM 14 O LIG 1 -1.341 4.824 -2.361 0.00 0.00 -0.480 OA ENDBRANCH 7 14 ENDBRANCH 1 11 BRANCH 3 15 ATOM 15 C LIG 1 2.454 0.216 1.913 0.00 0.00 +0.244 C ATOM 16 N LIG 1 3.244 -0.902 1.750 0.00 0.00 -0.307 N ATOM 17 H LIG 1 2.881 -1.680 1.219 0.00 0.00 +0.149 HD ATOM 18 O LIG 1 2.881 1.303 2.284 0.00 0.00 -0.270 OA BRANCH 16 19 ATOM 19 C LIG 1 4.679 -0.833 1.916 0.00 0.00 +0.140 C BRANCH 19 20 ATOM 20 C LIG 1 5.364 -0.666 0.583 0.00 0.00 -0.029 A ATOM 21 C LIG 1 5.434 0.600 -0.021 0.00 0.00 +0.026 A ATOM 22 C LIG 1 6.044 0.764 -1.269 0.00 0.00 +0.060 A ATOM 23 CL LIG 1 6.087 2.355 -1.942 0.00 0.00 -0.082 Cl ATOM 24 C LIG 1 6.589 -0.343 -1.927 0.00 0.00 +0.059 A ATOM 25 CL LIG 1 7.357 -0.221 -3.470 0.00 0.00 -0.082 Cl ATOM 26 C LIG 1 6.518 -1.607 -1.335 0.00 0.00 +0.022 A ATOM 27 C LIG 1 5.906 -1.770 -0.089 0.00 0.00 +0.007 A ENDBRANCH 19 20 ENDBRANCH 16 19 ENDBRANCH 3 15 BRANCH 5 28 ATOM 28 C LIG 1 -1.749 -2.576 1.663 0.00 0.00 +0.159 C BRANCH 28 29 ATOM 29 N LIG 1 -2.529 -2.991 0.517 0.00 0.00 -0.313 N ATOM 30 C LIG 1 -3.912 -2.821 0.363 0.00 0.00 +0.204 A ATOM 31 N LIG 1 -4.771 -2.299 1.162 0.00 0.00 -0.268 NA ATOM 32 H LIG 1 -4.315 -1.996 2.020 0.00 0.00 +0.190 HD ATOM 33 N LIG 1 -4.180 -3.338 -0.907 0.00 0.00 -0.320 N ATOM 34 C LIG 1 -5.473 -3.243 -1.539 0.00 0.00 +0.152 C ATOM 35 C LIG 1 -3.003 -3.750 -1.511 0.00 0.00 +0.106 A ATOM 36 C LIG 1 -2.001 -3.549 -0.645 0.00 0.00 +0.107 A ENDBRANCH 28 29 ENDBRANCH 5 28 TORSDOF 7