REMARK Name = BDB008019 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.398 -0.930 0.207 0.00 0.00 +0.195 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 -0.495 1.375 -1.088 0.00 0.00 +0.131 A ATOM 3 C LIG 1 -0.821 0.511 -0.038 0.00 0.00 +0.021 A ATOM 4 C LIG 1 -1.693 1.255 0.845 0.00 0.00 +0.006 A ATOM 5 C LIG 1 -1.938 2.493 0.258 0.00 0.00 +0.049 A ATOM 6 C LIG 1 -2.771 3.463 0.832 0.00 0.00 +0.046 A ATOM 7 C LIG 1 -3.369 3.155 2.056 0.00 0.00 +0.043 A ATOM 8 C LIG 1 -3.142 1.935 2.682 0.00 0.00 +0.021 A ATOM 9 CL LIG 1 -4.401 4.313 2.804 0.00 0.00 -0.083 Cl ATOM 10 C LIG 1 -2.304 0.982 2.089 0.00 0.00 +0.012 A ATOM 11 N LIG 1 -1.238 2.521 -0.917 0.00 0.00 -0.349 N ATOM 12 H LIG 1 -1.235 3.289 -1.575 0.00 0.00 +0.166 HD BRANCH 2 13 ATOM 13 C LIG 1 0.399 1.206 -2.216 0.00 0.00 +0.356 C ATOM 14 O LIG 1 1.300 0.386 -2.306 0.00 0.00 -0.243 OA BRANCH 13 15 ATOM 15 O LIG 1 0.134 2.170 -3.148 0.00 0.00 -0.460 OA BRANCH 15 17 ATOM 16 C LIG 1 0.505 3.150 -5.294 0.00 0.00 +0.048 C ATOM 17 C LIG 1 0.937 2.062 -4.329 0.00 0.00 +0.229 C ENDBRANCH 15 17 ENDBRANCH 13 15 ENDBRANCH 2 13 ENDBRANCH 1 3 BRANCH 1 18 ATOM 18 N LIG 1 -1.330 -1.926 -0.382 0.00 0.00 -0.282 N ATOM 19 C LIG 1 -1.599 -1.924 -1.746 0.00 0.00 +0.214 C ATOM 20 O LIG 1 -1.212 -1.054 -2.523 0.00 0.00 -0.276 OA ATOM 21 C LIG 1 -2.446 -3.046 -2.299 0.00 0.00 +0.109 C BRANCH 18 22 ATOM 22 C LIG 1 -1.612 -3.092 0.462 0.00 0.00 +0.144 C BRANCH 22 23 ATOM 23 C LIG 1 -2.626 -2.799 1.548 0.00 0.00 -0.029 A ATOM 24 C LIG 1 -3.833 -2.140 1.258 0.00 0.00 +0.026 A ATOM 25 C LIG 1 -4.769 -1.879 2.265 0.00 0.00 +0.060 A ATOM 26 CL LIG 1 -6.210 -1.035 1.825 0.00 0.00 -0.082 Cl ATOM 27 C LIG 1 -4.511 -2.290 3.576 0.00 0.00 +0.059 A ATOM 28 CL LIG 1 -5.610 -1.993 4.875 0.00 0.00 -0.082 Cl ATOM 29 C LIG 1 -3.323 -2.962 3.871 0.00 0.00 +0.022 A ATOM 30 C LIG 1 -2.389 -3.219 2.864 0.00 0.00 +0.007 A ENDBRANCH 22 23 ENDBRANCH 18 22 ENDBRANCH 1 18 BRANCH 1 31 ATOM 31 C LIG 1 1.102 -1.292 0.040 0.00 0.00 +0.238 C ATOM 32 N LIG 1 1.987 -0.387 0.612 0.00 0.00 -0.311 N ATOM 33 H LIG 1 1.672 0.573 0.690 0.00 0.00 +0.149 HD ATOM 34 O LIG 1 1.470 -2.390 -0.385 0.00 0.00 -0.273 OA BRANCH 32 35 ATOM 35 C LIG 1 3.428 -0.616 0.609 0.00 0.00 +0.073 C ATOM 36 C LIG 1 4.050 -0.165 -0.723 0.00 0.00 +0.022 C ATOM 37 C LIG 1 5.530 0.161 -0.569 0.00 0.00 +0.002 C ATOM 38 C LIG 1 5.750 1.319 0.406 0.00 0.00 +0.000 C ATOM 39 C LIG 1 4.664 1.428 1.479 0.00 0.00 +0.002 C ATOM 40 C LIG 1 4.078 0.064 1.828 0.00 0.00 +0.022 C ENDBRANCH 32 35 ENDBRANCH 1 31 TORSDOF 9